Showing NP-Card for Hypelcin B-II (NP0022676)
Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 07:51:58 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:39:41 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0022676 | ||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Hypelcin B-II | ||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||
Description | Hypelcin B-II is found in Trichoderma peltatum. It was first documented in 1994 (PMID: 8069957). Based on a literature review very few articles have been published on Hypelcin B-II. | ||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0022676 (Hypelcin B-II)Mrv1652307042108103D 285286 0 0 0 0 999 V2000 6.7913 -2.8487 4.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4488 -1.6142 5.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0980 -0.9056 4.5048 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2815 -1.3511 6.6225 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7922 -0.2576 7.3820 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3832 -0.3125 7.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 -0.5538 8.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 1.0872 6.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7511 1.2845 5.6581 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9483 2.1949 7.5963 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8802 3.5321 7.0142 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6977 4.4564 8.1697 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6523 3.6047 9.4115 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2521 2.2485 8.8522 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7778 2.2361 8.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3487 3.1893 7.8292 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 1.1733 8.9425 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5339 1.1465 8.5572 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8936 -0.1027 9.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8148 2.3429 9.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4831 1.1065 7.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3913 0.3786 6.5279 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5723 1.7715 6.2332 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 1.6045 4.7893 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3893 1.4283 4.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4882 2.7592 4.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2883 3.8813 4.7074 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4045 2.5152 3.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2229 3.5516 2.5748 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4261 4.5970 1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0606 4.2536 3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1764 2.9128 1.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0179 1.6929 1.4371 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1954 3.6304 0.9967 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2025 3.0667 0.0997 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1062 3.4403 -1.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2573 1.6193 0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2872 1.3876 1.7036 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2700 0.5240 -0.4156 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -0.8314 0.2251 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2513 -1.6649 -0.5204 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3432 -3.0802 0.0452 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7884 -2.9936 1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7092 -4.0952 2.3158 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2588 -1.8588 1.8416 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8823 -1.3099 -0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 -1.0774 -1.3799 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -1.9469 0.7373 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7267 -2.2879 0.2138 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8677 -3.3658 -0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 -0.9944 -0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6405 -2.6669 1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7665 -2.9080 2.3452 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 -2.7292 0.5102 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0817 -3.0761 1.1463 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6214 -1.7226 1.0712 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9880 -1.6097 1.5879 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3798 -0.1094 1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9294 -2.3289 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -4.0907 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -4.1494 -0.9524 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5036 -5.0280 0.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -5.8851 -0.7447 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5650 -6.4581 -1.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -7.1206 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7591 -5.3797 -1.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9269 -5.9486 -1.7252 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6211 -4.3443 -2.6337 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6557 -3.9912 -3.5881 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4293 -2.6566 -4.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5011 -1.9561 -3.6982 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2087 -2.1386 -5.2174 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 -0.8224 -5.7457 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6241 0.1908 -4.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0518 -0.6917 -6.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7577 -0.3865 -6.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1561 -1.2900 -6.8435 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3352 0.8974 -5.9167 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1552 1.6228 -6.1953 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2698 1.7155 -7.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2235 3.0614 -5.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 0.9681 -6.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 -0.1838 -6.7585 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3183 1.2447 -5.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5461 0.4507 -5.8339 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0076 -0.0967 -4.5170 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1504 0.5464 -3.4709 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8552 1.9167 -4.3067 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4744 2.8660 -3.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 2.7312 -2.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5946 3.9006 -3.1834 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 4.6145 -1.8481 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7299 4.8377 -1.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5919 5.2576 -2.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9961 4.5777 0.0624 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2054 4.7680 0.7611 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5437 6.2959 0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0559 4.3974 2.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4444 4.1774 0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6272 4.1558 -1.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 3.6428 1.0721 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6928 3.0961 0.7269 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4154 2.5378 1.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5662 4.3842 0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8401 2.2806 -0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 1.9561 -1.1993 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1763 1.8244 -0.7798 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4120 1.0487 -1.9507 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.3687 1.7472 -2.9058 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8116 3.0894 -3.3364 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7644 3.7430 -4.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8107 3.1237 -4.5778 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5603 4.9998 -4.7841 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9010 -0.3185 -1.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0422 -0.7511 -0.4935 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2302 -1.2000 -2.7456 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7089 -2.5620 -2.6231 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1490 -2.6960 -3.0824 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.0710 -1.8302 -2.2659 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.4538 -1.9871 -2.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5695 -1.3655 -2.0813 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6630 -2.6996 -3.7794 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8967 -3.4782 -3.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8901 -3.0112 -3.9888 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1869 -4.8406 -3.5815 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3002 -5.6968 -4.4184 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1115 -7.0145 -3.7443 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3311 -7.6902 -3.5633 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8694 -5.7764 -5.7979 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1414 -6.5343 -6.8326 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9095 -7.9817 -6.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8099 -6.3421 -8.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2798 5.9693 -2.0735 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5500 6.8361 -3.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4852 6.7256 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8203 -2.9819 5.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5475 -2.6477 3.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4441 -3.7236 4.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6880 -2.0544 7.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5953 -0.1771 6.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7200 0.5748 7.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7265 -1.2246 7.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2397 0.1526 9.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2134 -1.5623 9.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6349 -0.7721 9.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0253 3.6358 6.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8534 3.7598 6.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7857 5.0611 8.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6019 5.1203 8.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6587 3.4802 9.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9220 3.9836 10.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4162 1.4521 9.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3277 0.4088 9.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0256 -0.4564 8.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6944 -0.0656 10.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -0.9100 8.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8545 3.2282 8.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1831 2.5465 10.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7436 2.0351 9.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8204 2.3660 6.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3487 0.7021 4.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 0.3506 4.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 2.0293 4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 1.6055 3.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5022 1.5181 2.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 4.3245 0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 4.7736 2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 5.5533 1.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8312 3.5216 3.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5279 5.1129 3.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 4.6632 4.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2775 4.6568 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2008 3.4270 0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 2.5809 -1.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0862 3.8082 -1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4168 4.3182 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2805 0.5028 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3651 -0.7543 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2511 -1.1901 -0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8908 -1.8202 -1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3278 -3.5336 -0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0357 -3.6986 -0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -4.0991 3.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0820 -4.8880 2.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2626 -2.1336 1.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4626 -4.1924 -0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -3.8220 -1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3824 -3.0384 -1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2538 -1.2245 -1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -0.7725 -0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8037 -0.1210 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2363 -2.5228 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2025 -3.3648 2.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5315 -1.3616 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1039 -1.0261 1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1599 -1.8235 2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 0.1307 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8141 0.4259 2.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4606 0.0174 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7937 -1.6210 0.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3945 -3.2051 1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4455 -2.5820 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0164 -5.1211 1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 -6.4345 -0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2389 -6.0286 -2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -7.5476 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4244 -6.7202 0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8105 -7.4258 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6753 -7.8328 -0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -3.7716 -2.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6077 -4.7756 -4.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6122 -4.0674 -3.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 -2.8203 -5.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5062 -0.3175 -4.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9245 0.4197 -3.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9874 1.1037 -5.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7972 -1.4518 -7.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1033 -0.8935 -6.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9107 0.3350 -7.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 1.4963 -5.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 2.3756 -8.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1932 0.7136 -8.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1999 2.2249 -8.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7224 3.1577 -4.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9298 3.6333 -6.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 3.6008 -5.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2693 -0.3069 -6.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2928 1.1862 -6.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0946 0.1231 -4.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8768 -1.1953 -4.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 0.1165 -3.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6441 0.8624 -2.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0274 2.1189 -4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1096 4.3383 -3.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 4.0715 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 4.1794 0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4067 6.3976 1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6852 6.6708 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6785 6.7955 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8005 4.9569 2.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0522 4.7321 2.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2172 3.3260 2.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2174 3.6492 2.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0814 3.1852 2.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5115 2.6364 1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1232 1.4886 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4878 4.9759 1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0014 4.8915 -0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5641 4.0321 0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9653 2.0693 -0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4455 0.9294 -2.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4689 1.1550 -3.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3937 1.8424 -2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5127 3.7160 -2.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8652 2.9121 -3.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1215 5.2438 -5.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1024 -0.7996 -3.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6884 -2.8494 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2601 -2.5262 -4.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4202 -3.7537 -2.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0054 -2.1265 -1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7232 -0.7748 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2862 -1.9014 -1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6810 -0.3173 -2.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9953 -5.3043 -3.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3434 -5.1504 -4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4019 -7.7015 -4.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7940 -6.7857 -2.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1876 -8.6734 -3.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0441 -4.7383 -6.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9266 -6.1938 -5.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1107 -6.0459 -6.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8470 -8.1798 -6.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5963 -8.5352 -6.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9193 -8.4904 -7.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8475 -5.2491 -8.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8165 -6.7850 -8.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1735 -6.8125 -8.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3069 5.7826 -2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1301 6.3211 -3.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2729 7.6453 -3.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2556 7.3987 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6994 7.5219 -0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5913 6.0603 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4534 7.2984 -0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 1 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 6 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 6 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 40 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 1 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 55 60 1 0 0 0 0 60 61 2 0 0 0 0 60 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 63 66 1 6 0 0 0 66 67 2 0 0 0 0 66 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 70 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 75 1 0 0 0 0 73 76 1 6 0 0 0 76 77 2 0 0 0 0 76 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 79 82 1 6 0 0 0 82 83 2 0 0 0 0 82 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 2 0 0 0 0 89 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 2 0 0 0 0 93 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96 98 1 0 0 0 0 96 99 1 6 0 0 0 99100 2 0 0 0 0 99101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102104 1 0 0 0 0 102105 1 6 0 0 0 105106 2 0 0 0 0 105107 1 0 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 111112 2 0 0 0 0 111113 1 0 0 0 0 108114 1 0 0 0 0 114115 2 0 0 0 0 114116 1 0 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 120121 1 0 0 0 0 120122 2 0 0 0 0 117123 1 0 0 0 0 123124 2 0 0 0 0 123125 1 0 0 0 0 125126 1 0 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 126129 1 0 0 0 0 129130 1 0 0 0 0 130131 1 0 0 0 0 130132 1 0 0 0 0 92133 1 0 0 0 0 133134 1 0 0 0 0 133135 1 0 0 0 0 14 10 1 0 0 0 0 88 84 1 0 0 0 0 1136 1 0 0 0 0 1137 1 0 0 0 0 1138 1 0 0 0 0 4139 1 0 0 0 0 6140 1 0 0 0 0 6141 1 0 0 0 0 6142 1 0 0 0 0 7143 1 0 0 0 0 7144 1 0 0 0 0 7145 1 0 0 0 0 11146 1 0 0 0 0 11147 1 0 0 0 0 12148 1 0 0 0 0 12149 1 0 0 0 0 13150 1 0 0 0 0 13151 1 0 0 0 0 14152 1 1 0 0 0 17153 1 0 0 0 0 19154 1 0 0 0 0 19155 1 0 0 0 0 19156 1 0 0 0 0 20157 1 0 0 0 0 20158 1 0 0 0 0 20159 1 0 0 0 0 23160 1 0 0 0 0 24161 1 1 0 0 0 25162 1 0 0 0 0 25163 1 0 0 0 0 25164 1 0 0 0 0 28165 1 0 0 0 0 30166 1 0 0 0 0 30167 1 0 0 0 0 30168 1 0 0 0 0 31169 1 0 0 0 0 31170 1 0 0 0 0 31171 1 0 0 0 0 34172 1 0 0 0 0 35173 1 1 0 0 0 36174 1 0 0 0 0 36175 1 0 0 0 0 36176 1 0 0 0 0 39177 1 0 0 0 0 40178 1 1 0 0 0 41179 1 0 0 0 0 41180 1 0 0 0 0 42181 1 0 0 0 0 42182 1 0 0 0 0 44183 1 0 0 0 0 44184 1 0 0 0 0 48185 1 0 0 0 0 50186 1 0 0 0 0 50187 1 0 0 0 0 50188 1 0 0 0 0 51189 1 0 0 0 0 51190 1 0 0 0 0 51191 1 0 0 0 0 54192 1 0 0 0 0 55193 1 1 0 0 0 56194 1 0 0 0 0 56195 1 0 0 0 0 57196 1 1 0 0 0 58197 1 0 0 0 0 58198 1 0 0 0 0 58199 1 0 0 0 0 59200 1 0 0 0 0 59201 1 0 0 0 0 59202 1 0 0 0 0 62203 1 0 0 0 0 64204 1 0 0 0 0 64205 1 0 0 0 0 64206 1 0 0 0 0 65207 1 0 0 0 0 65208 1 0 0 0 0 65209 1 0 0 0 0 68210 1 0 0 0 0 69211 1 0 0 0 0 69212 1 0 0 0 0 72213 1 0 0 0 0 74214 1 0 0 0 0 74215 1 0 0 0 0 74216 1 0 0 0 0 75217 1 0 0 0 0 75218 1 0 0 0 0 75219 1 0 0 0 0 78220 1 0 0 0 0 80221 1 0 0 0 0 80222 1 0 0 0 0 80223 1 0 0 0 0 81224 1 0 0 0 0 81225 1 0 0 0 0 81226 1 0 0 0 0 85227 1 0 0 0 0 85228 1 0 0 0 0 86229 1 0 0 0 0 86230 1 0 0 0 0 87231 1 0 0 0 0 87232 1 0 0 0 0 88233 1 6 0 0 0 91234 1 0 0 0 0 92235 1 1 0 0 0 95236 1 0 0 0 0 97237 1 0 0 0 0 97238 1 0 0 0 0 97239 1 0 0 0 0 98240 1 0 0 0 0 98241 1 0 0 0 0 98242 1 0 0 0 0 101243 1 0 0 0 0 103244 1 0 0 0 0 103245 1 0 0 0 0 103246 1 0 0 0 0 104247 1 0 0 0 0 104248 1 0 0 0 0 104249 1 0 0 0 0 107250 1 0 0 0 0 108251 1 6 0 0 0 109252 1 0 0 0 0 109253 1 0 0 0 0 110254 1 0 0 0 0 110255 1 0 0 0 0 113256 1 0 0 0 0 116257 1 0 0 0 0 117258 1 1 0 0 0 118259 1 0 0 0 0 118260 1 0 0 0 0 119261 1 0 0 0 0 119262 1 0 0 0 0 121263 1 0 0 0 0 121264 1 0 0 0 0 125265 1 0 0 0 0 126266 1 6 0 0 0 127267 1 0 0 0 0 127268 1 0 0 0 0 128269 1 0 0 0 0 129270 1 0 0 0 0 129271 1 0 0 0 0 130272 1 6 0 0 0 131273 1 0 0 0 0 131274 1 0 0 0 0 131275 1 0 0 0 0 132276 1 0 0 0 0 132277 1 0 0 0 0 132278 1 0 0 0 0 133279 1 6 0 0 0 134280 1 0 0 0 0 134281 1 0 0 0 0 134282 1 0 0 0 0 135283 1 0 0 0 0 135284 1 0 0 0 0 135285 1 0 0 0 0 M END 3D MOL for NP0022676 (Hypelcin B-II)RDKit 3D 285286 0 0 0 0 0 0 0 0999 V2000 6.7913 -2.8487 4.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4488 -1.6142 5.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0980 -0.9056 4.5048 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2815 -1.3511 6.6225 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7922 -0.2576 7.3820 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3832 -0.3125 7.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 -0.5538 8.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 1.0872 6.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7511 1.2845 5.6581 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9483 2.1949 7.5963 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8802 3.5321 7.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6977 4.4564 8.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6523 3.6047 9.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2521 2.2485 8.8522 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7778 2.2361 8.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3487 3.1893 7.8292 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 1.1733 8.9425 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5339 1.1465 8.5572 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8936 -0.1027 9.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8148 2.3429 9.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4831 1.1065 7.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3913 0.3786 6.5279 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5723 1.7715 6.2332 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 1.6045 4.7893 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3893 1.4283 4.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4882 2.7592 4.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2883 3.8813 4.7074 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4045 2.5152 3.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2229 3.5516 2.5748 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4261 4.5970 1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0606 4.2536 3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1764 2.9128 1.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0179 1.6929 1.4371 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1954 3.6304 0.9967 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2025 3.0667 0.0997 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1062 3.4403 -1.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2573 1.6193 0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2872 1.3876 1.7036 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2700 0.5240 -0.4156 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -0.8314 0.2251 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2513 -1.6649 -0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3432 -3.0802 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7884 -2.9936 1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7092 -4.0952 2.3158 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2588 -1.8588 1.8416 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8823 -1.3099 -0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 -1.0774 -1.3799 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -1.9469 0.7373 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7267 -2.2879 0.2138 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8677 -3.3658 -0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 -0.9944 -0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6405 -2.6669 1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7665 -2.9080 2.3452 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 -2.7292 0.5102 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0817 -3.0761 1.1463 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6214 -1.7226 1.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -1.6097 1.5879 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3798 -0.1094 1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9294 -2.3289 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -4.0907 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -4.1494 -0.9524 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5036 -5.0280 0.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -5.8851 -0.7447 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5650 -6.4581 -1.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -7.1206 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7591 -5.3797 -1.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9269 -5.9486 -1.7252 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6211 -4.3443 -2.6337 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6557 -3.9912 -3.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4293 -2.6566 -4.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5011 -1.9561 -3.6982 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2087 -2.1386 -5.2174 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 -0.8224 -5.7457 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6241 0.1908 -4.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0518 -0.6917 -6.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7577 -0.3865 -6.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1561 -1.2900 -6.8435 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3352 0.8974 -5.9167 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1552 1.6228 -6.1953 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2698 1.7155 -7.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2235 3.0614 -5.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 0.9681 -6.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 -0.1838 -6.7585 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3183 1.2447 -5.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5461 0.4507 -5.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0076 -0.0967 -4.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1504 0.5464 -3.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8552 1.9167 -4.3067 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4744 2.8660 -3.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 2.7312 -2.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5946 3.9006 -3.1834 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 4.6145 -1.8481 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7299 4.8377 -1.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5919 5.2576 -2.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9961 4.5777 0.0624 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2054 4.7680 0.7611 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5437 6.2959 0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0559 4.3974 2.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4444 4.1774 0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6272 4.1558 -1.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 3.6428 1.0721 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6928 3.0961 0.7269 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4154 2.5378 1.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5662 4.3842 0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8401 2.2806 -0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 1.9561 -1.1993 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1763 1.8244 -0.7798 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4120 1.0487 -1.9507 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.3687 1.7472 -2.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8116 3.0894 -3.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7644 3.7430 -4.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8107 3.1237 -4.5778 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5603 4.9998 -4.7841 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9010 -0.3185 -1.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0422 -0.7511 -0.4935 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2302 -1.2000 -2.7456 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7089 -2.5620 -2.6231 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1490 -2.6960 -3.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0710 -1.8302 -2.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4538 -1.9871 -2.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5695 -1.3655 -2.0813 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6630 -2.6996 -3.7794 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8967 -3.4782 -3.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8901 -3.0112 -3.9888 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1869 -4.8406 -3.5815 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3002 -5.6968 -4.4184 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1115 -7.0145 -3.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3311 -7.6902 -3.5633 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8694 -5.7764 -5.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1414 -6.5343 -6.8326 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9095 -7.9817 -6.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8099 -6.3421 -8.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2798 5.9693 -2.0735 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5500 6.8361 -3.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4852 6.7256 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8203 -2.9819 5.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5475 -2.6477 3.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4441 -3.7236 4.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6880 -2.0544 7.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5953 -0.1771 6.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7200 0.5748 7.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7265 -1.2246 7.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2397 0.1526 9.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2134 -1.5623 9.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6349 -0.7721 9.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0253 3.6358 6.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8534 3.7598 6.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7857 5.0611 8.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6019 5.1203 8.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6587 3.4802 9.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9220 3.9836 10.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4162 1.4521 9.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3277 0.4088 9.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0256 -0.4564 8.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6944 -0.0656 10.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -0.9100 8.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8545 3.2282 8.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1831 2.5465 10.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7436 2.0351 9.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8204 2.3660 6.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3487 0.7021 4.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 0.3506 4.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 2.0293 4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 1.6055 3.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5022 1.5181 2.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 4.3245 0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 4.7736 2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 5.5533 1.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8312 3.5216 3.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5279 5.1129 3.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 4.6632 4.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2775 4.6568 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2008 3.4270 0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 2.5809 -1.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0862 3.8082 -1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4168 4.3182 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2805 0.5028 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3651 -0.7543 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2511 -1.1901 -0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8908 -1.8202 -1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3278 -3.5336 -0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0357 -3.6986 -0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -4.0991 3.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0820 -4.8880 2.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2626 -2.1336 1.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4626 -4.1924 -0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -3.8220 -1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3824 -3.0384 -1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2538 -1.2245 -1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -0.7725 -0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8037 -0.1210 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2363 -2.5228 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2025 -3.3648 2.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5315 -1.3616 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1039 -1.0261 1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1599 -1.8235 2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 0.1307 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8141 0.4259 2.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4606 0.0174 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7937 -1.6210 0.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3945 -3.2051 1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4455 -2.5820 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0164 -5.1211 1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 -6.4345 -0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2389 -6.0286 -2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -7.5476 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4244 -6.7202 0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8105 -7.4258 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6753 -7.8328 -0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -3.7716 -2.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6077 -4.7756 -4.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6122 -4.0674 -3.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 -2.8203 -5.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5062 -0.3175 -4.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9245 0.4197 -3.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9874 1.1037 -5.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7972 -1.4518 -7.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1033 -0.8935 -6.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9107 0.3350 -7.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 1.4963 -5.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 2.3756 -8.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1932 0.7136 -8.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1999 2.2249 -8.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7224 3.1577 -4.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9298 3.6333 -6.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 3.6008 -5.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2693 -0.3069 -6.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2928 1.1862 -6.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0946 0.1231 -4.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8768 -1.1953 -4.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 0.1165 -3.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6441 0.8624 -2.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0274 2.1189 -4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1096 4.3383 -3.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 4.0715 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 4.1794 0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4067 6.3976 1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6852 6.6708 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6785 6.7955 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8005 4.9569 2.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0522 4.7321 2.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2172 3.3260 2.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2174 3.6492 2.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0814 3.1852 2.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5115 2.6364 1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1232 1.4886 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4878 4.9759 1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0014 4.8915 -0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5641 4.0321 0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9653 2.0693 -0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4455 0.9294 -2.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4689 1.1550 -3.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3937 1.8424 -2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5127 3.7160 -2.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8652 2.9121 -3.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1215 5.2438 -5.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1024 -0.7996 -3.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6884 -2.8494 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2601 -2.5262 -4.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4202 -3.7537 -2.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0054 -2.1265 -1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7232 -0.7748 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2862 -1.9014 -1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6810 -0.3173 -2.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9953 -5.3043 -3.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3434 -5.1504 -4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4019 -7.7015 -4.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7940 -6.7857 -2.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1876 -8.6734 -3.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0441 -4.7383 -6.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9266 -6.1938 -5.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1107 -6.0459 -6.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8470 -8.1798 -6.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5963 -8.5352 -6.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9193 -8.4904 -7.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8475 -5.2491 -8.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8165 -6.7850 -8.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1735 -6.8125 -8.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3069 5.7826 -2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1301 6.3211 -3.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2729 7.6453 -3.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2556 7.3987 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6994 7.5219 -0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5913 6.0603 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4534 7.2984 -0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 5 8 1 1 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 6 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 6 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 2 0 40 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 49 52 1 1 52 53 2 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 55 60 1 0 60 61 2 0 60 62 1 0 62 63 1 0 63 64 1 0 63 65 1 0 63 66 1 6 66 67 2 0 66 68 1 0 68 69 1 0 69 70 1 0 70 71 2 0 70 72 1 0 72 73 1 0 73 74 1 0 73 75 1 0 73 76 1 6 76 77 2 0 76 78 1 0 78 79 1 0 79 80 1 0 79 81 1 0 79 82 1 6 82 83 2 0 82 84 1 0 84 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 88 89 1 0 89 90 2 0 89 91 1 0 91 92 1 0 92 93 1 0 93 94 2 0 93 95 1 0 95 96 1 0 96 97 1 0 96 98 1 0 96 99 1 6 99100 2 0 99101 1 0 101102 1 0 102103 1 0 102104 1 0 102105 1 6 105106 2 0 105107 1 0 107108 1 0 108109 1 0 109110 1 0 110111 1 0 111112 2 0 111113 1 0 108114 1 0 114115 2 0 114116 1 0 116117 1 0 117118 1 0 118119 1 0 119120 1 0 120121 1 0 120122 2 0 117123 1 0 123124 2 0 123125 1 0 125126 1 0 126127 1 0 127128 1 0 126129 1 0 129130 1 0 130131 1 0 130132 1 0 92133 1 0 133134 1 0 133135 1 0 14 10 1 0 88 84 1 0 1136 1 0 1137 1 0 1138 1 0 4139 1 0 6140 1 0 6141 1 0 6142 1 0 7143 1 0 7144 1 0 7145 1 0 11146 1 0 11147 1 0 12148 1 0 12149 1 0 13150 1 0 13151 1 0 14152 1 1 17153 1 0 19154 1 0 19155 1 0 19156 1 0 20157 1 0 20158 1 0 20159 1 0 23160 1 0 24161 1 1 25162 1 0 25163 1 0 25164 1 0 28165 1 0 30166 1 0 30167 1 0 30168 1 0 31169 1 0 31170 1 0 31171 1 0 34172 1 0 35173 1 1 36174 1 0 36175 1 0 36176 1 0 39177 1 0 40178 1 1 41179 1 0 41180 1 0 42181 1 0 42182 1 0 44183 1 0 44184 1 0 48185 1 0 50186 1 0 50187 1 0 50188 1 0 51189 1 0 51190 1 0 51191 1 0 54192 1 0 55193 1 1 56194 1 0 56195 1 0 57196 1 1 58197 1 0 58198 1 0 58199 1 0 59200 1 0 59201 1 0 59202 1 0 62203 1 0 64204 1 0 64205 1 0 64206 1 0 65207 1 0 65208 1 0 65209 1 0 68210 1 0 69211 1 0 69212 1 0 72213 1 0 74214 1 0 74215 1 0 74216 1 0 75217 1 0 75218 1 0 75219 1 0 78220 1 0 80221 1 0 80222 1 0 80223 1 0 81224 1 0 81225 1 0 81226 1 0 85227 1 0 85228 1 0 86229 1 0 86230 1 0 87231 1 0 87232 1 0 88233 1 6 91234 1 0 92235 1 1 95236 1 0 97237 1 0 97238 1 0 97239 1 0 98240 1 0 98241 1 0 98242 1 0 101243 1 0 103244 1 0 103245 1 0 103246 1 0 104247 1 0 104248 1 0 104249 1 0 107250 1 0 108251 1 6 109252 1 0 109253 1 0 110254 1 0 110255 1 0 113256 1 0 116257 1 0 117258 1 1 118259 1 0 118260 1 0 119261 1 0 119262 1 0 121263 1 0 121264 1 0 125265 1 0 126266 1 6 127267 1 0 127268 1 0 128269 1 0 129270 1 0 129271 1 0 130272 1 6 131273 1 0 131274 1 0 131275 1 0 132276 1 0 132277 1 0 132278 1 0 133279 1 6 134280 1 0 134281 1 0 134282 1 0 135283 1 0 135284 1 0 135285 1 0 M END 3D SDF for NP0022676 (Hypelcin B-II)Mrv1652307042108103D 285286 0 0 0 0 999 V2000 6.7913 -2.8487 4.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4488 -1.6142 5.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0980 -0.9056 4.5048 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2815 -1.3511 6.6225 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7922 -0.2576 7.3820 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3832 -0.3125 7.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 -0.5538 8.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 1.0872 6.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7511 1.2845 5.6581 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9483 2.1949 7.5963 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8802 3.5321 7.0142 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6977 4.4564 8.1697 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6523 3.6047 9.4115 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2521 2.2485 8.8522 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7778 2.2361 8.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3487 3.1893 7.8292 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 1.1733 8.9425 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5339 1.1465 8.5572 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8936 -0.1027 9.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8148 2.3429 9.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4831 1.1065 7.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3913 0.3786 6.5279 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5723 1.7715 6.2332 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 1.6045 4.7893 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3893 1.4283 4.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4882 2.7592 4.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2883 3.8813 4.7074 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4045 2.5152 3.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2229 3.5516 2.5748 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4261 4.5970 1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0606 4.2536 3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1764 2.9128 1.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0179 1.6929 1.4371 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1954 3.6304 0.9967 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2025 3.0667 0.0997 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1062 3.4403 -1.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2573 1.6193 0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2872 1.3876 1.7036 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2700 0.5240 -0.4156 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -0.8314 0.2251 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2513 -1.6649 -0.5204 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3432 -3.0802 0.0452 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7884 -2.9936 1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7092 -4.0952 2.3158 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2588 -1.8588 1.8416 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8823 -1.3099 -0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 -1.0774 -1.3799 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -1.9469 0.7373 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7267 -2.2879 0.2138 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8677 -3.3658 -0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 -0.9944 -0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6405 -2.6669 1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7665 -2.9080 2.3452 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 -2.7292 0.5102 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0817 -3.0761 1.1463 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6214 -1.7226 1.0712 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9880 -1.6097 1.5879 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3798 -0.1094 1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9294 -2.3289 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -4.0907 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -4.1494 -0.9524 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5036 -5.0280 0.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -5.8851 -0.7447 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5650 -6.4581 -1.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -7.1206 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7591 -5.3797 -1.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9269 -5.9486 -1.7252 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6211 -4.3443 -2.6337 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6557 -3.9912 -3.5881 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4293 -2.6566 -4.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5011 -1.9561 -3.6982 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2087 -2.1386 -5.2174 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 -0.8224 -5.7457 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6241 0.1908 -4.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0518 -0.6917 -6.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7577 -0.3865 -6.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1561 -1.2900 -6.8435 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3352 0.8974 -5.9167 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1552 1.6228 -6.1953 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2698 1.7155 -7.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2235 3.0614 -5.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 0.9681 -6.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 -0.1838 -6.7585 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3183 1.2447 -5.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5461 0.4507 -5.8339 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0076 -0.0967 -4.5170 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1504 0.5464 -3.4709 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8552 1.9167 -4.3067 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4744 2.8660 -3.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 2.7312 -2.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5946 3.9006 -3.1834 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 4.6145 -1.8481 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7299 4.8377 -1.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5919 5.2576 -2.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9961 4.5777 0.0624 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2054 4.7680 0.7611 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5437 6.2959 0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0559 4.3974 2.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4444 4.1774 0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6272 4.1558 -1.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 3.6428 1.0721 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6928 3.0961 0.7269 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4154 2.5378 1.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5662 4.3842 0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8401 2.2806 -0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 1.9561 -1.1993 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1763 1.8244 -0.7798 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4120 1.0487 -1.9507 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.3687 1.7472 -2.9058 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8116 3.0894 -3.3364 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7644 3.7430 -4.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8107 3.1237 -4.5778 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5603 4.9998 -4.7841 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9010 -0.3185 -1.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0422 -0.7511 -0.4935 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2302 -1.2000 -2.7456 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7089 -2.5620 -2.6231 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1490 -2.6960 -3.0824 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.0710 -1.8302 -2.2659 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.4538 -1.9871 -2.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5695 -1.3655 -2.0813 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6630 -2.6996 -3.7794 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8967 -3.4782 -3.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8901 -3.0112 -3.9888 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1869 -4.8406 -3.5815 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3002 -5.6968 -4.4184 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1115 -7.0145 -3.7443 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3311 -7.6902 -3.5633 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8694 -5.7764 -5.7979 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1414 -6.5343 -6.8326 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9095 -7.9817 -6.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8099 -6.3421 -8.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2798 5.9693 -2.0735 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5500 6.8361 -3.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4852 6.7256 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8203 -2.9819 5.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5475 -2.6477 3.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4441 -3.7236 4.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6880 -2.0544 7.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5953 -0.1771 6.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7200 0.5748 7.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7265 -1.2246 7.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2397 0.1526 9.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2134 -1.5623 9.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6349 -0.7721 9.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0253 3.6358 6.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8534 3.7598 6.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7857 5.0611 8.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6019 5.1203 8.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6587 3.4802 9.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9220 3.9836 10.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4162 1.4521 9.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3277 0.4088 9.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0256 -0.4564 8.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6944 -0.0656 10.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -0.9100 8.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8545 3.2282 8.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1831 2.5465 10.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7436 2.0351 9.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8204 2.3660 6.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3487 0.7021 4.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 0.3506 4.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 2.0293 4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 1.6055 3.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5022 1.5181 2.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 4.3245 0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 4.7736 2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 5.5533 1.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8312 3.5216 3.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5279 5.1129 3.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 4.6632 4.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2775 4.6568 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2008 3.4270 0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 2.5809 -1.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0862 3.8082 -1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4168 4.3182 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2805 0.5028 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3651 -0.7543 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2511 -1.1901 -0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8908 -1.8202 -1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3278 -3.5336 -0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0357 -3.6986 -0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -4.0991 3.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0820 -4.8880 2.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2626 -2.1336 1.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4626 -4.1924 -0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -3.8220 -1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3824 -3.0384 -1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2538 -1.2245 -1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -0.7725 -0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8037 -0.1210 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2363 -2.5228 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2025 -3.3648 2.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5315 -1.3616 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1039 -1.0261 1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1599 -1.8235 2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 0.1307 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8141 0.4259 2.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4606 0.0174 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7937 -1.6210 0.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3945 -3.2051 1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4455 -2.5820 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0164 -5.1211 1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 -6.4345 -0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2389 -6.0286 -2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -7.5476 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4244 -6.7202 0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8105 -7.4258 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6753 -7.8328 -0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -3.7716 -2.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6077 -4.7756 -4.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6122 -4.0674 -3.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 -2.8203 -5.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5062 -0.3175 -4.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9245 0.4197 -3.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9874 1.1037 -5.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7972 -1.4518 -7.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1033 -0.8935 -6.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9107 0.3350 -7.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 1.4963 -5.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 2.3756 -8.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1932 0.7136 -8.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1999 2.2249 -8.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7224 3.1577 -4.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9298 3.6333 -6.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 3.6008 -5.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2693 -0.3069 -6.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2928 1.1862 -6.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0946 0.1231 -4.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8768 -1.1953 -4.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 0.1165 -3.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6441 0.8624 -2.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0274 2.1189 -4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1096 4.3383 -3.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 4.0715 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 4.1794 0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4067 6.3976 1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6852 6.6708 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6785 6.7955 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8005 4.9569 2.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0522 4.7321 2.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2172 3.3260 2.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2174 3.6492 2.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0814 3.1852 2.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5115 2.6364 1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1232 1.4886 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4878 4.9759 1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0014 4.8915 -0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5641 4.0321 0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9653 2.0693 -0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4455 0.9294 -2.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4689 1.1550 -3.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3937 1.8424 -2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5127 3.7160 -2.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8652 2.9121 -3.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1215 5.2438 -5.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1024 -0.7996 -3.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6884 -2.8494 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2601 -2.5262 -4.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4202 -3.7537 -2.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0054 -2.1265 -1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7232 -0.7748 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2862 -1.9014 -1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6810 -0.3173 -2.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9953 -5.3043 -3.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3434 -5.1504 -4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4019 -7.7015 -4.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7940 -6.7857 -2.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1876 -8.6734 -3.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0441 -4.7383 -6.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9266 -6.1938 -5.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1107 -6.0459 -6.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8470 -8.1798 -6.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5963 -8.5352 -6.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9193 -8.4904 -7.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8475 -5.2491 -8.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8165 -6.7850 -8.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1735 -6.8125 -8.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3069 5.7826 -2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1301 6.3211 -3.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2729 7.6453 -3.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2556 7.3987 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6994 7.5219 -0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5913 6.0603 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4534 7.2984 -0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 1 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 6 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 6 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 40 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 1 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 55 60 1 0 0 0 0 60 61 2 0 0 0 0 60 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 63 66 1 6 0 0 0 66 67 2 0 0 0 0 66 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 70 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 75 1 0 0 0 0 73 76 1 6 0 0 0 76 77 2 0 0 0 0 76 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 79 82 1 6 0 0 0 82 83 2 0 0 0 0 82 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 2 0 0 0 0 89 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 2 0 0 0 0 93 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96 98 1 0 0 0 0 96 99 1 6 0 0 0 99100 2 0 0 0 0 99101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102104 1 0 0 0 0 102105 1 6 0 0 0 105106 2 0 0 0 0 105107 1 0 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 111112 2 0 0 0 0 111113 1 0 0 0 0 108114 1 0 0 0 0 114115 2 0 0 0 0 114116 1 0 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 120121 1 0 0 0 0 120122 2 0 0 0 0 117123 1 0 0 0 0 123124 2 0 0 0 0 123125 1 0 0 0 0 125126 1 0 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 126129 1 0 0 0 0 129130 1 0 0 0 0 130131 1 0 0 0 0 130132 1 0 0 0 0 92133 1 0 0 0 0 133134 1 0 0 0 0 133135 1 0 0 0 0 14 10 1 0 0 0 0 88 84 1 0 0 0 0 1136 1 0 0 0 0 1137 1 0 0 0 0 1138 1 0 0 0 0 4139 1 0 0 0 0 6140 1 0 0 0 0 6141 1 0 0 0 0 6142 1 0 0 0 0 7143 1 0 0 0 0 7144 1 0 0 0 0 7145 1 0 0 0 0 11146 1 0 0 0 0 11147 1 0 0 0 0 12148 1 0 0 0 0 12149 1 0 0 0 0 13150 1 0 0 0 0 13151 1 0 0 0 0 14152 1 1 0 0 0 17153 1 0 0 0 0 19154 1 0 0 0 0 19155 1 0 0 0 0 19156 1 0 0 0 0 20157 1 0 0 0 0 20158 1 0 0 0 0 20159 1 0 0 0 0 23160 1 0 0 0 0 24161 1 1 0 0 0 25162 1 0 0 0 0 25163 1 0 0 0 0 25164 1 0 0 0 0 28165 1 0 0 0 0 30166 1 0 0 0 0 30167 1 0 0 0 0 30168 1 0 0 0 0 31169 1 0 0 0 0 31170 1 0 0 0 0 31171 1 0 0 0 0 34172 1 0 0 0 0 35173 1 1 0 0 0 36174 1 0 0 0 0 36175 1 0 0 0 0 36176 1 0 0 0 0 39177 1 0 0 0 0 40178 1 1 0 0 0 41179 1 0 0 0 0 41180 1 0 0 0 0 42181 1 0 0 0 0 42182 1 0 0 0 0 44183 1 0 0 0 0 44184 1 0 0 0 0 48185 1 0 0 0 0 50186 1 0 0 0 0 50187 1 0 0 0 0 50188 1 0 0 0 0 51189 1 0 0 0 0 51190 1 0 0 0 0 51191 1 0 0 0 0 54192 1 0 0 0 0 55193 1 1 0 0 0 56194 1 0 0 0 0 56195 1 0 0 0 0 57196 1 1 0 0 0 58197 1 0 0 0 0 58198 1 0 0 0 0 58199 1 0 0 0 0 59200 1 0 0 0 0 59201 1 0 0 0 0 59202 1 0 0 0 0 62203 1 0 0 0 0 64204 1 0 0 0 0 64205 1 0 0 0 0 64206 1 0 0 0 0 65207 1 0 0 0 0 65208 1 0 0 0 0 65209 1 0 0 0 0 68210 1 0 0 0 0 69211 1 0 0 0 0 69212 1 0 0 0 0 72213 1 0 0 0 0 74214 1 0 0 0 0 74215 1 0 0 0 0 74216 1 0 0 0 0 75217 1 0 0 0 0 75218 1 0 0 0 0 75219 1 0 0 0 0 78220 1 0 0 0 0 80221 1 0 0 0 0 80222 1 0 0 0 0 80223 1 0 0 0 0 81224 1 0 0 0 0 81225 1 0 0 0 0 81226 1 0 0 0 0 85227 1 0 0 0 0 85228 1 0 0 0 0 86229 1 0 0 0 0 86230 1 0 0 0 0 87231 1 0 0 0 0 87232 1 0 0 0 0 88233 1 6 0 0 0 91234 1 0 0 0 0 92235 1 1 0 0 0 95236 1 0 0 0 0 97237 1 0 0 0 0 97238 1 0 0 0 0 97239 1 0 0 0 0 98240 1 0 0 0 0 98241 1 0 0 0 0 98242 1 0 0 0 0 101243 1 0 0 0 0 103244 1 0 0 0 0 103245 1 0 0 0 0 103246 1 0 0 0 0 104247 1 0 0 0 0 104248 1 0 0 0 0 104249 1 0 0 0 0 107250 1 0 0 0 0 108251 1 6 0 0 0 109252 1 0 0 0 0 109253 1 0 0 0 0 110254 1 0 0 0 0 110255 1 0 0 0 0 113256 1 0 0 0 0 116257 1 0 0 0 0 117258 1 1 0 0 0 118259 1 0 0 0 0 118260 1 0 0 0 0 119261 1 0 0 0 0 119262 1 0 0 0 0 121263 1 0 0 0 0 121264 1 0 0 0 0 125265 1 0 0 0 0 126266 1 6 0 0 0 127267 1 0 0 0 0 127268 1 0 0 0 0 128269 1 0 0 0 0 129270 1 0 0 0 0 129271 1 0 0 0 0 130272 1 6 0 0 0 131273 1 0 0 0 0 131274 1 0 0 0 0 131275 1 0 0 0 0 132276 1 0 0 0 0 132277 1 0 0 0 0 132278 1 0 0 0 0 133279 1 6 0 0 0 134280 1 0 0 0 0 134281 1 0 0 0 0 134282 1 0 0 0 0 135283 1 0 0 0 0 135284 1 0 0 0 0 135285 1 0 0 0 0 M END > <DATABASE_ID> NP0022676 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]1([H])N(C(=O)C(N([H])C(=O)C(N([H])C(=O)C([H])([H])N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)[C@@]2([H])N(C(=O)C(N([H])C(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C88H150N22O25/c1-44(2)40-50(43-111)94-64(120)51(32-35-57(89)113)96-65(121)52(34-37-60(116)117)97-75(131)84(18,19)107-77(133)86(22,23)106-70(126)61(46(5)6)99-68(124)55-30-28-38-109(55)79(135)88(26,27)108-76(132)85(20,21)101-59(115)42-91-71(127)80(10,11)104-67(123)54(41-45(3)4)98-74(130)83(16,17)103-66(122)53(33-36-58(90)114)95-62(118)47(7)92-72(128)81(12,13)102-63(119)48(8)93-73(129)82(14,15)105-69(125)56-31-29-39-110(56)78(134)87(24,25)100-49(9)112/h44-48,50-56,61,111H,28-43H2,1-27H3,(H2,89,113)(H2,90,114)(H,91,127)(H,92,128)(H,93,129)(H,94,120)(H,95,118)(H,96,121)(H,97,131)(H,98,130)(H,99,124)(H,100,112)(H,101,115)(H,102,119)(H,103,122)(H,104,123)(H,105,125)(H,106,126)(H,107,133)(H,108,132)(H,116,117)/t47-,48+,50-,51+,52-,53-,54+,55-,56+,61+/m1/s1 > <INCHI_KEY> VGBLNYMWNHONFG-UHFFFAOYSA-N > <FORMULA> C88H150N22O25 > <MOLECULAR_WEIGHT> 1916.297 > <EXACT_MASS> 1915.114248418 > <JCHEM_ACCEPTOR_COUNT> 25 > <JCHEM_ATOM_COUNT> 285 > <JCHEM_AVERAGE_POLARIZABILITY> 201.2176697637707 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 22 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (4R)-4-{[(1S)-3-carbamoyl-1-{[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamoyl}propyl]carbamoyl}-4-(2-{2-[(2S)-2-{[(2R)-1-{2-[2-(2-{2-[(2S)-2-{2-[(2R)-4-carbamoyl-2-[(2R)-2-{2-[(2S)-2-(2-{[(2S)-1-(2-acetamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}propanamido]butanamido]-2-methylpropanamido}-4-methylpentanamido]-2-methylpropanamido}acetamido)-2-methylpropanamido]-2-methylpropanoyl}pyrrolidin-2-yl]formamido}-3-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)butanoic acid > <JCHEM_LOGP> -6.680162120333334 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> -1 > <JCHEM_PKA> 11.408756543426893 > <JCHEM_PKA_STRONGEST_ACIDIC> 4.094693756510664 > <JCHEM_POLAR_SURFACE_AREA> 708.1299999999999 > <JCHEM_REFRACTIVITY> 484.3867000000001 > <JCHEM_ROTATABLE_BOND_COUNT> 52 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_TRADITIONAL_IUPAC> (4R)-4-{[(1S)-3-carbamoyl-1-{[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamoyl}propyl]carbamoyl}-4-(2-{2-[(2S)-2-{[(2R)-1-{2-[2-(2-{2-[(2S)-2-{2-[(2R)-4-carbamoyl-2-[(2R)-2-{2-[(2S)-2-(2-{[(2S)-1-(2-acetamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}propanamido]butanamido]-2-methylpropanamido}-4-methylpentanamido]-2-methylpropanamido}acetamido)-2-methylpropanamido]-2-methylpropanoyl}pyrrolidin-2-yl]formamido}-3-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)butanoic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0022676 (Hypelcin B-II)RDKit 3D 285286 0 0 0 0 0 0 0 0999 V2000 6.7913 -2.8487 4.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4488 -1.6142 5.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0980 -0.9056 4.5048 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2815 -1.3511 6.6225 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7922 -0.2576 7.3820 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3832 -0.3125 7.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 -0.5538 8.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 1.0872 6.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7511 1.2845 5.6581 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9483 2.1949 7.5963 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8802 3.5321 7.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6977 4.4564 8.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6523 3.6047 9.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2521 2.2485 8.8522 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7778 2.2361 8.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3487 3.1893 7.8292 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 1.1733 8.9425 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5339 1.1465 8.5572 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8936 -0.1027 9.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8148 2.3429 9.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4831 1.1065 7.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3913 0.3786 6.5279 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5723 1.7715 6.2332 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 1.6045 4.7893 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3893 1.4283 4.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4882 2.7592 4.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2883 3.8813 4.7074 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4045 2.5152 3.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2229 3.5516 2.5748 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4261 4.5970 1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0606 4.2536 3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1764 2.9128 1.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0179 1.6929 1.4371 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1954 3.6304 0.9967 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2025 3.0667 0.0997 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1062 3.4403 -1.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2573 1.6193 0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2872 1.3876 1.7036 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2700 0.5240 -0.4156 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -0.8314 0.2251 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2513 -1.6649 -0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3432 -3.0802 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7884 -2.9936 1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7092 -4.0952 2.3158 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2588 -1.8588 1.8416 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8823 -1.3099 -0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 -1.0774 -1.3799 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -1.9469 0.7373 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7267 -2.2879 0.2138 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8677 -3.3658 -0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 -0.9944 -0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6405 -2.6669 1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7665 -2.9080 2.3452 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 -2.7292 0.5102 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0817 -3.0761 1.1463 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6214 -1.7226 1.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -1.6097 1.5879 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3798 -0.1094 1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9294 -2.3289 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -4.0907 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -4.1494 -0.9524 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5036 -5.0280 0.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -5.8851 -0.7447 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5650 -6.4581 -1.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -7.1206 -0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7591 -5.3797 -1.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9269 -5.9486 -1.7252 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6211 -4.3443 -2.6337 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6557 -3.9912 -3.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4293 -2.6566 -4.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5011 -1.9561 -3.6982 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2087 -2.1386 -5.2174 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 -0.8224 -5.7457 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6241 0.1908 -4.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0518 -0.6917 -6.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7577 -0.3865 -6.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1561 -1.2900 -6.8435 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3352 0.8974 -5.9167 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1552 1.6228 -6.1953 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2698 1.7155 -7.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2235 3.0614 -5.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 0.9681 -6.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 -0.1838 -6.7585 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3183 1.2447 -5.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5461 0.4507 -5.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0076 -0.0967 -4.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1504 0.5464 -3.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8552 1.9167 -4.3067 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4744 2.8660 -3.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 2.7312 -2.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5946 3.9006 -3.1834 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 4.6145 -1.8481 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7299 4.8377 -1.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5919 5.2576 -2.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9961 4.5777 0.0624 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2054 4.7680 0.7611 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5437 6.2959 0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0559 4.3974 2.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4444 4.1774 0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6272 4.1558 -1.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 3.6428 1.0721 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6928 3.0961 0.7269 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4154 2.5378 1.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5662 4.3842 0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8401 2.2806 -0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 1.9561 -1.1993 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1763 1.8244 -0.7798 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4120 1.0487 -1.9507 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.3687 1.7472 -2.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8116 3.0894 -3.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7644 3.7430 -4.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8107 3.1237 -4.5778 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5603 4.9998 -4.7841 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9010 -0.3185 -1.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0422 -0.7511 -0.4935 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2302 -1.2000 -2.7456 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7089 -2.5620 -2.6231 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1490 -2.6960 -3.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0710 -1.8302 -2.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4538 -1.9871 -2.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5695 -1.3655 -2.0813 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6630 -2.6996 -3.7794 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8967 -3.4782 -3.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8901 -3.0112 -3.9888 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1869 -4.8406 -3.5815 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3002 -5.6968 -4.4184 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1115 -7.0145 -3.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3311 -7.6902 -3.5633 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8694 -5.7764 -5.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1414 -6.5343 -6.8326 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9095 -7.9817 -6.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8099 -6.3421 -8.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2798 5.9693 -2.0735 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5500 6.8361 -3.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4852 6.7256 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8203 -2.9819 5.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5475 -2.6477 3.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4441 -3.7236 4.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6880 -2.0544 7.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5953 -0.1771 6.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7200 0.5748 7.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7265 -1.2246 7.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2397 0.1526 9.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2134 -1.5623 9.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6349 -0.7721 9.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0253 3.6358 6.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8534 3.7598 6.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7857 5.0611 8.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6019 5.1203 8.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6587 3.4802 9.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9220 3.9836 10.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4162 1.4521 9.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3277 0.4088 9.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0256 -0.4564 8.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6944 -0.0656 10.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -0.9100 8.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8545 3.2282 8.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1831 2.5465 10.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7436 2.0351 9.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8204 2.3660 6.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3487 0.7021 4.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 0.3506 4.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 2.0293 4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 1.6055 3.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5022 1.5181 2.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 4.3245 0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 4.7736 2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 5.5533 1.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8312 3.5216 3.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5279 5.1129 3.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 4.6632 4.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2775 4.6568 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2008 3.4270 0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 2.5809 -1.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0862 3.8082 -1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4168 4.3182 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2805 0.5028 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3651 -0.7543 1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2511 -1.1901 -0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8908 -1.8202 -1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3278 -3.5336 -0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0357 -3.6986 -0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -4.0991 3.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0820 -4.8880 2.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2626 -2.1336 1.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4626 -4.1924 -0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -3.8220 -1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3824 -3.0384 -1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2538 -1.2245 -1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -0.7725 -0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8037 -0.1210 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2363 -2.5228 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2025 -3.3648 2.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5315 -1.3616 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1039 -1.0261 1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1599 -1.8235 2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 0.1307 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8141 0.4259 2.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4606 0.0174 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7937 -1.6210 0.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3945 -3.2051 1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4455 -2.5820 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0164 -5.1211 1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 -6.4345 -0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2389 -6.0286 -2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -7.5476 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4244 -6.7202 0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8105 -7.4258 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6753 -7.8328 -0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -3.7716 -2.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6077 -4.7756 -4.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6122 -4.0674 -3.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 -2.8203 -5.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5062 -0.3175 -4.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9245 0.4197 -3.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9874 1.1037 -5.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7972 -1.4518 -7.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1033 -0.8935 -6.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9107 0.3350 -7.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 1.4963 -5.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 2.3756 -8.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1932 0.7136 -8.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1999 2.2249 -8.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7224 3.1577 -4.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9298 3.6333 -6.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 3.6008 -5.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2693 -0.3069 -6.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2928 1.1862 -6.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0946 0.1231 -4.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8768 -1.1953 -4.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 0.1165 -3.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6441 0.8624 -2.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0274 2.1189 -4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1096 4.3383 -3.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 4.0715 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 4.1794 0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4067 6.3976 1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6852 6.6708 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6785 6.7955 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8005 4.9569 2.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0522 4.7321 2.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2172 3.3260 2.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2174 3.6492 2.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0814 3.1852 2.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5115 2.6364 1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1232 1.4886 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4878 4.9759 1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0014 4.8915 -0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5641 4.0321 0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9653 2.0693 -0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4455 0.9294 -2.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4689 1.1550 -3.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3937 1.8424 -2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5127 3.7160 -2.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8652 2.9121 -3.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1215 5.2438 -5.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1024 -0.7996 -3.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6884 -2.8494 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2601 -2.5262 -4.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4202 -3.7537 -2.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0054 -2.1265 -1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7232 -0.7748 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2862 -1.9014 -1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6810 -0.3173 -2.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9953 -5.3043 -3.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3434 -5.1504 -4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4019 -7.7015 -4.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7940 -6.7857 -2.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1876 -8.6734 -3.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0441 -4.7383 -6.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9266 -6.1938 -5.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1107 -6.0459 -6.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8470 -8.1798 -6.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5963 -8.5352 -6.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9193 -8.4904 -7.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8475 -5.2491 -8.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8165 -6.7850 -8.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1735 -6.8125 -8.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3069 5.7826 -2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1301 6.3211 -3.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2729 7.6453 -3.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2556 7.3987 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6994 7.5219 -0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5913 6.0603 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4534 7.2984 -0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 5 8 1 1 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 6 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 6 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 2 0 40 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 49 52 1 1 52 53 2 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 55 60 1 0 60 61 2 0 60 62 1 0 62 63 1 0 63 64 1 0 63 65 1 0 63 66 1 6 66 67 2 0 66 68 1 0 68 69 1 0 69 70 1 0 70 71 2 0 70 72 1 0 72 73 1 0 73 74 1 0 73 75 1 0 73 76 1 6 76 77 2 0 76 78 1 0 78 79 1 0 79 80 1 0 79 81 1 0 79 82 1 6 82 83 2 0 82 84 1 0 84 85 1 0 85 86 1 0 86 87 1 0 87 88 1 0 88 89 1 0 89 90 2 0 89 91 1 0 91 92 1 0 92 93 1 0 93 94 2 0 93 95 1 0 95 96 1 0 96 97 1 0 96 98 1 0 96 99 1 6 99100 2 0 99101 1 0 101102 1 0 102103 1 0 102104 1 0 102105 1 6 105106 2 0 105107 1 0 107108 1 0 108109 1 0 109110 1 0 110111 1 0 111112 2 0 111113 1 0 108114 1 0 114115 2 0 114116 1 0 116117 1 0 117118 1 0 118119 1 0 119120 1 0 120121 1 0 120122 2 0 117123 1 0 123124 2 0 123125 1 0 125126 1 0 126127 1 0 127128 1 0 126129 1 0 129130 1 0 130131 1 0 130132 1 0 92133 1 0 133134 1 0 133135 1 0 14 10 1 0 88 84 1 0 1136 1 0 1137 1 0 1138 1 0 4139 1 0 6140 1 0 6141 1 0 6142 1 0 7143 1 0 7144 1 0 7145 1 0 11146 1 0 11147 1 0 12148 1 0 12149 1 0 13150 1 0 13151 1 0 14152 1 1 17153 1 0 19154 1 0 19155 1 0 19156 1 0 20157 1 0 20158 1 0 20159 1 0 23160 1 0 24161 1 1 25162 1 0 25163 1 0 25164 1 0 28165 1 0 30166 1 0 30167 1 0 30168 1 0 31169 1 0 31170 1 0 31171 1 0 34172 1 0 35173 1 1 36174 1 0 36175 1 0 36176 1 0 39177 1 0 40178 1 1 41179 1 0 41180 1 0 42181 1 0 42182 1 0 44183 1 0 44184 1 0 48185 1 0 50186 1 0 50187 1 0 50188 1 0 51189 1 0 51190 1 0 51191 1 0 54192 1 0 55193 1 1 56194 1 0 56195 1 0 57196 1 1 58197 1 0 58198 1 0 58199 1 0 59200 1 0 59201 1 0 59202 1 0 62203 1 0 64204 1 0 64205 1 0 64206 1 0 65207 1 0 65208 1 0 65209 1 0 68210 1 0 69211 1 0 69212 1 0 72213 1 0 74214 1 0 74215 1 0 74216 1 0 75217 1 0 75218 1 0 75219 1 0 78220 1 0 80221 1 0 80222 1 0 80223 1 0 81224 1 0 81225 1 0 81226 1 0 85227 1 0 85228 1 0 86229 1 0 86230 1 0 87231 1 0 87232 1 0 88233 1 6 91234 1 0 92235 1 1 95236 1 0 97237 1 0 97238 1 0 97239 1 0 98240 1 0 98241 1 0 98242 1 0 101243 1 0 103244 1 0 103245 1 0 103246 1 0 104247 1 0 104248 1 0 104249 1 0 107250 1 0 108251 1 6 109252 1 0 109253 1 0 110254 1 0 110255 1 0 113256 1 0 116257 1 0 117258 1 1 118259 1 0 118260 1 0 119261 1 0 119262 1 0 121263 1 0 121264 1 0 125265 1 0 126266 1 6 127267 1 0 127268 1 0 128269 1 0 129270 1 0 129271 1 0 130272 1 6 131273 1 0 131274 1 0 131275 1 0 132276 1 0 132277 1 0 132278 1 0 133279 1 6 134280 1 0 134281 1 0 134282 1 0 135283 1 0 135284 1 0 135285 1 0 M END PDB for NP0022676 (Hypelcin B-II)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 6.791 -2.849 4.705 0.00 0.00 C+0 HETATM 2 C UNK 0 7.449 -1.614 5.274 0.00 0.00 C+0 HETATM 3 O UNK 0 8.098 -0.906 4.505 0.00 0.00 O+0 HETATM 4 N UNK 0 7.282 -1.351 6.622 0.00 0.00 N+0 HETATM 5 C UNK 0 7.792 -0.258 7.382 0.00 0.00 C+0 HETATM 6 C UNK 0 9.383 -0.313 7.185 0.00 0.00 C+0 HETATM 7 C UNK 0 7.669 -0.554 8.841 0.00 0.00 C+0 HETATM 8 C UNK 0 7.482 1.087 6.923 0.00 0.00 C+0 HETATM 9 O UNK 0 7.751 1.285 5.658 0.00 0.00 O+0 HETATM 10 N UNK 0 6.948 2.195 7.596 0.00 0.00 N+0 HETATM 11 C UNK 0 6.880 3.532 7.014 0.00 0.00 C+0 HETATM 12 C UNK 0 6.698 4.456 8.170 0.00 0.00 C+0 HETATM 13 C UNK 0 6.652 3.605 9.412 0.00 0.00 C+0 HETATM 14 C UNK 0 6.252 2.248 8.852 0.00 0.00 C+0 HETATM 15 C UNK 0 4.778 2.236 8.508 0.00 0.00 C+0 HETATM 16 O UNK 0 4.349 3.189 7.829 0.00 0.00 O+0 HETATM 17 N UNK 0 3.973 1.173 8.943 0.00 0.00 N+0 HETATM 18 C UNK 0 2.534 1.147 8.557 0.00 0.00 C+0 HETATM 19 C UNK 0 1.894 -0.103 9.120 0.00 0.00 C+0 HETATM 20 C UNK 0 1.815 2.343 9.081 0.00 0.00 C+0 HETATM 21 C UNK 0 2.483 1.107 7.072 0.00 0.00 C+0 HETATM 22 O UNK 0 3.391 0.379 6.528 0.00 0.00 O+0 HETATM 23 N UNK 0 1.572 1.772 6.233 0.00 0.00 N+0 HETATM 24 C UNK 0 1.709 1.605 4.789 0.00 0.00 C+0 HETATM 25 C UNK 0 0.389 1.428 4.137 0.00 0.00 C+0 HETATM 26 C UNK 0 2.488 2.759 4.221 0.00 0.00 C+0 HETATM 27 O UNK 0 2.288 3.881 4.707 0.00 0.00 O+0 HETATM 28 N UNK 0 3.405 2.515 3.179 0.00 0.00 N+0 HETATM 29 C UNK 0 4.223 3.552 2.575 0.00 0.00 C+0 HETATM 30 C UNK 0 3.426 4.597 1.872 0.00 0.00 C+0 HETATM 31 C UNK 0 5.061 4.254 3.648 0.00 0.00 C+0 HETATM 32 C UNK 0 5.176 2.913 1.628 0.00 0.00 C+0 HETATM 33 O UNK 0 5.018 1.693 1.437 0.00 0.00 O+0 HETATM 34 N UNK 0 6.195 3.630 0.997 0.00 0.00 N+0 HETATM 35 C UNK 0 7.202 3.067 0.100 0.00 0.00 C+0 HETATM 36 C UNK 0 7.106 3.440 -1.302 0.00 0.00 C+0 HETATM 37 C UNK 0 7.257 1.619 0.431 0.00 0.00 C+0 HETATM 38 O UNK 0 7.287 1.388 1.704 0.00 0.00 O+0 HETATM 39 N UNK 0 7.270 0.524 -0.416 0.00 0.00 N+0 HETATM 40 C UNK 0 7.262 -0.831 0.225 0.00 0.00 C+0 HETATM 41 C UNK 0 8.251 -1.665 -0.520 0.00 0.00 C+0 HETATM 42 C UNK 0 8.343 -3.080 0.045 0.00 0.00 C+0 HETATM 43 C UNK 0 8.788 -2.994 1.444 0.00 0.00 C+0 HETATM 44 N UNK 0 8.709 -4.095 2.316 0.00 0.00 N+0 HETATM 45 O UNK 0 9.259 -1.859 1.842 0.00 0.00 O+0 HETATM 46 C UNK 0 5.882 -1.310 -0.164 0.00 0.00 C+0 HETATM 47 O UNK 0 5.586 -1.077 -1.380 0.00 0.00 O+0 HETATM 48 N UNK 0 4.986 -1.947 0.737 0.00 0.00 N+0 HETATM 49 C UNK 0 3.727 -2.288 0.214 0.00 0.00 C+0 HETATM 50 C UNK 0 3.868 -3.366 -0.841 0.00 0.00 C+0 HETATM 51 C UNK 0 3.213 -0.994 -0.470 0.00 0.00 C+0 HETATM 52 C UNK 0 2.640 -2.667 1.135 0.00 0.00 C+0 HETATM 53 O UNK 0 2.767 -2.908 2.345 0.00 0.00 O+0 HETATM 54 N UNK 0 1.380 -2.729 0.510 0.00 0.00 N+0 HETATM 55 C UNK 0 0.082 -3.076 1.146 0.00 0.00 C+0 HETATM 56 C UNK 0 -0.621 -1.723 1.071 0.00 0.00 C+0 HETATM 57 C UNK 0 -1.988 -1.610 1.588 0.00 0.00 C+0 HETATM 58 C UNK 0 -2.380 -0.109 1.403 0.00 0.00 C+0 HETATM 59 C UNK 0 -2.929 -2.329 0.630 0.00 0.00 C+0 HETATM 60 C UNK 0 -0.469 -4.091 0.229 0.00 0.00 C+0 HETATM 61 O UNK 0 0.092 -4.149 -0.952 0.00 0.00 O+0 HETATM 62 N UNK 0 -1.504 -5.028 0.401 0.00 0.00 N+0 HETATM 63 C UNK 0 -1.815 -5.885 -0.745 0.00 0.00 C+0 HETATM 64 C UNK 0 -0.565 -6.458 -1.301 0.00 0.00 C+0 HETATM 65 C UNK 0 -2.526 -7.121 -0.014 0.00 0.00 C+0 HETATM 66 C UNK 0 -2.759 -5.380 -1.705 0.00 0.00 C+0 HETATM 67 O UNK 0 -3.927 -5.949 -1.725 0.00 0.00 O+0 HETATM 68 N UNK 0 -2.621 -4.344 -2.634 0.00 0.00 N+0 HETATM 69 C UNK 0 -3.656 -3.991 -3.588 0.00 0.00 C+0 HETATM 70 C UNK 0 -3.429 -2.657 -4.174 0.00 0.00 C+0 HETATM 71 O UNK 0 -2.501 -1.956 -3.698 0.00 0.00 O+0 HETATM 72 N UNK 0 -4.209 -2.139 -5.217 0.00 0.00 N+0 HETATM 73 C UNK 0 -4.133 -0.822 -5.746 0.00 0.00 C+0 HETATM 74 C UNK 0 -4.624 0.191 -4.700 0.00 0.00 C+0 HETATM 75 C UNK 0 -5.052 -0.692 -6.930 0.00 0.00 C+0 HETATM 76 C UNK 0 -2.758 -0.387 -6.216 0.00 0.00 C+0 HETATM 77 O UNK 0 -2.156 -1.290 -6.843 0.00 0.00 O+0 HETATM 78 N UNK 0 -2.335 0.897 -5.917 0.00 0.00 N+0 HETATM 79 C UNK 0 -1.155 1.623 -6.195 0.00 0.00 C+0 HETATM 80 C UNK 0 -1.270 1.716 -7.822 0.00 0.00 C+0 HETATM 81 C UNK 0 -1.224 3.061 -5.852 0.00 0.00 C+0 HETATM 82 C UNK 0 0.140 0.968 -6.045 0.00 0.00 C+0 HETATM 83 O UNK 0 0.118 -0.184 -6.758 0.00 0.00 O+0 HETATM 84 N UNK 0 1.318 1.245 -5.379 0.00 0.00 N+0 HETATM 85 C UNK 0 2.546 0.451 -5.834 0.00 0.00 C+0 HETATM 86 C UNK 0 3.008 -0.097 -4.517 0.00 0.00 C+0 HETATM 87 C UNK 0 2.150 0.546 -3.471 0.00 0.00 C+0 HETATM 88 C UNK 0 1.855 1.917 -4.307 0.00 0.00 C+0 HETATM 89 C UNK 0 1.474 2.866 -3.373 0.00 0.00 C+0 HETATM 90 O UNK 0 2.237 2.731 -2.240 0.00 0.00 O+0 HETATM 91 N UNK 0 0.595 3.901 -3.183 0.00 0.00 N+0 HETATM 92 C UNK 0 0.621 4.614 -1.848 0.00 0.00 C+0 HETATM 93 C UNK 0 -0.730 4.838 -1.308 0.00 0.00 C+0 HETATM 94 O UNK 0 -1.592 5.258 -2.110 0.00 0.00 O+0 HETATM 95 N UNK 0 -0.996 4.578 0.062 0.00 0.00 N+0 HETATM 96 C UNK 0 -2.205 4.768 0.761 0.00 0.00 C+0 HETATM 97 C UNK 0 -2.544 6.296 0.811 0.00 0.00 C+0 HETATM 98 C UNK 0 -2.056 4.397 2.222 0.00 0.00 C+0 HETATM 99 C UNK 0 -3.444 4.177 0.211 0.00 0.00 C+0 HETATM 100 O UNK 0 -3.627 4.156 -1.014 0.00 0.00 O+0 HETATM 101 N UNK 0 -4.435 3.643 1.072 0.00 0.00 N+0 HETATM 102 C UNK 0 -5.693 3.096 0.727 0.00 0.00 C+0 HETATM 103 C UNK 0 -6.415 2.538 1.965 0.00 0.00 C+0 HETATM 104 C UNK 0 -6.566 4.384 0.423 0.00 0.00 C+0 HETATM 105 C UNK 0 -5.840 2.281 -0.453 0.00 0.00 C+0 HETATM 106 O UNK 0 -4.923 1.956 -1.199 0.00 0.00 O+0 HETATM 107 N UNK 0 -7.176 1.824 -0.780 0.00 0.00 N+0 HETATM 108 C UNK 0 -7.412 1.049 -1.951 0.00 0.00 C+0 HETATM 109 C UNK 0 -8.369 1.747 -2.906 0.00 0.00 C+0 HETATM 110 C UNK 0 -7.812 3.089 -3.336 0.00 0.00 C+0 HETATM 111 C UNK 0 -8.764 3.743 -4.259 0.00 0.00 C+0 HETATM 112 O UNK 0 -9.811 3.124 -4.578 0.00 0.00 O+0 HETATM 113 O UNK 0 -8.560 5.000 -4.784 0.00 0.00 O+0 HETATM 114 C UNK 0 -7.901 -0.319 -1.688 0.00 0.00 C+0 HETATM 115 O UNK 0 -8.042 -0.751 -0.494 0.00 0.00 O+0 HETATM 116 N UNK 0 -8.230 -1.200 -2.746 0.00 0.00 N+0 HETATM 117 C UNK 0 -8.709 -2.562 -2.623 0.00 0.00 C+0 HETATM 118 C UNK 0 -10.149 -2.696 -3.082 0.00 0.00 C+0 HETATM 119 C UNK 0 -11.071 -1.830 -2.266 0.00 0.00 C+0 HETATM 120 C UNK 0 -12.454 -1.987 -2.742 0.00 0.00 C+0 HETATM 121 N UNK 0 -13.569 -1.365 -2.081 0.00 0.00 N+0 HETATM 122 O UNK 0 -12.663 -2.700 -3.779 0.00 0.00 O+0 HETATM 123 C UNK 0 -7.897 -3.478 -3.419 0.00 0.00 C+0 HETATM 124 O UNK 0 -6.890 -3.011 -3.989 0.00 0.00 O+0 HETATM 125 N UNK 0 -8.187 -4.841 -3.582 0.00 0.00 N+0 HETATM 126 C UNK 0 -7.300 -5.697 -4.418 0.00 0.00 C+0 HETATM 127 C UNK 0 -7.112 -7.014 -3.744 0.00 0.00 C+0 HETATM 128 O UNK 0 -8.331 -7.690 -3.563 0.00 0.00 O+0 HETATM 129 C UNK 0 -7.869 -5.776 -5.798 0.00 0.00 C+0 HETATM 130 C UNK 0 -7.141 -6.534 -6.833 0.00 0.00 C+0 HETATM 131 C UNK 0 -6.910 -7.982 -6.671 0.00 0.00 C+0 HETATM 132 C UNK 0 -7.810 -6.342 -8.220 0.00 0.00 C+0 HETATM 133 C UNK 0 1.280 5.969 -2.074 0.00 0.00 C+0 HETATM 134 C UNK 0 0.550 6.836 -3.049 0.00 0.00 C+0 HETATM 135 C UNK 0 1.485 6.726 -0.795 0.00 0.00 C+0 HETATM 136 H UNK 0 5.820 -2.982 5.237 0.00 0.00 H+0 HETATM 137 H UNK 0 6.548 -2.648 3.648 0.00 0.00 H+0 HETATM 138 H UNK 0 7.444 -3.724 4.767 0.00 0.00 H+0 HETATM 139 H UNK 0 6.688 -2.054 7.175 0.00 0.00 H+0 HETATM 140 H UNK 0 9.595 -0.177 6.123 0.00 0.00 H+0 HETATM 141 H UNK 0 9.720 0.575 7.739 0.00 0.00 H+0 HETATM 142 H UNK 0 9.726 -1.225 7.661 0.00 0.00 H+0 HETATM 143 H UNK 0 8.240 0.153 9.450 0.00 0.00 H+0 HETATM 144 H UNK 0 8.213 -1.562 9.021 0.00 0.00 H+0 HETATM 145 H UNK 0 6.635 -0.772 9.153 0.00 0.00 H+0 HETATM 146 H UNK 0 6.025 3.636 6.315 0.00 0.00 H+0 HETATM 147 H UNK 0 7.853 3.760 6.481 0.00 0.00 H+0 HETATM 148 H UNK 0 5.786 5.061 8.141 0.00 0.00 H+0 HETATM 149 H UNK 0 7.602 5.120 8.277 0.00 0.00 H+0 HETATM 150 H UNK 0 7.659 3.480 9.877 0.00 0.00 H+0 HETATM 151 H UNK 0 5.922 3.984 10.142 0.00 0.00 H+0 HETATM 152 H UNK 0 6.416 1.452 9.556 0.00 0.00 H+0 HETATM 153 H UNK 0 4.328 0.409 9.511 0.00 0.00 H+0 HETATM 154 H UNK 0 1.026 -0.456 8.523 0.00 0.00 H+0 HETATM 155 H UNK 0 1.694 -0.066 10.193 0.00 0.00 H+0 HETATM 156 H UNK 0 2.681 -0.910 8.980 0.00 0.00 H+0 HETATM 157 H UNK 0 1.855 3.228 8.435 0.00 0.00 H+0 HETATM 158 H UNK 0 2.183 2.547 10.128 0.00 0.00 H+0 HETATM 159 H UNK 0 0.744 2.035 9.246 0.00 0.00 H+0 HETATM 160 H UNK 0 0.820 2.366 6.593 0.00 0.00 H+0 HETATM 161 H UNK 0 2.349 0.702 4.600 0.00 0.00 H+0 HETATM 162 H UNK 0 0.070 0.351 4.270 0.00 0.00 H+0 HETATM 163 H UNK 0 -0.420 2.029 4.607 0.00 0.00 H+0 HETATM 164 H UNK 0 0.467 1.605 3.040 0.00 0.00 H+0 HETATM 165 H UNK 0 3.502 1.518 2.815 0.00 0.00 H+0 HETATM 166 H UNK 0 3.237 4.324 0.795 0.00 0.00 H+0 HETATM 167 H UNK 0 2.448 4.774 2.406 0.00 0.00 H+0 HETATM 168 H UNK 0 3.982 5.553 1.936 0.00 0.00 H+0 HETATM 169 H UNK 0 5.831 3.522 3.943 0.00 0.00 H+0 HETATM 170 H UNK 0 5.528 5.113 3.119 0.00 0.00 H+0 HETATM 171 H UNK 0 4.450 4.663 4.444 0.00 0.00 H+0 HETATM 172 H UNK 0 6.277 4.657 1.149 0.00 0.00 H+0 HETATM 173 H UNK 0 8.201 3.427 0.553 0.00 0.00 H+0 HETATM 174 H UNK 0 6.811 2.581 -1.961 0.00 0.00 H+0 HETATM 175 H UNK 0 8.086 3.808 -1.734 0.00 0.00 H+0 HETATM 176 H UNK 0 6.417 4.318 -1.502 0.00 0.00 H+0 HETATM 177 H UNK 0 7.281 0.503 -1.454 0.00 0.00 H+0 HETATM 178 H UNK 0 7.365 -0.754 1.295 0.00 0.00 H+0 HETATM 179 H UNK 0 9.251 -1.190 -0.628 0.00 0.00 H+0 HETATM 180 H UNK 0 7.891 -1.820 -1.581 0.00 0.00 H+0 HETATM 181 H UNK 0 7.328 -3.534 -0.073 0.00 0.00 H+0 HETATM 182 H UNK 0 9.036 -3.699 -0.567 0.00 0.00 H+0 HETATM 183 H UNK 0 9.304 -4.099 3.207 0.00 0.00 H+0 HETATM 184 H UNK 0 8.082 -4.888 2.096 0.00 0.00 H+0 HETATM 185 H UNK 0 5.263 -2.134 1.706 0.00 0.00 H+0 HETATM 186 H UNK 0 4.463 -4.192 -0.410 0.00 0.00 H+0 HETATM 187 H UNK 0 2.864 -3.822 -1.049 0.00 0.00 H+0 HETATM 188 H UNK 0 4.382 -3.038 -1.744 0.00 0.00 H+0 HETATM 189 H UNK 0 3.254 -1.224 -1.563 0.00 0.00 H+0 HETATM 190 H UNK 0 2.168 -0.773 -0.196 0.00 0.00 H+0 HETATM 191 H UNK 0 3.804 -0.121 -0.207 0.00 0.00 H+0 HETATM 192 H UNK 0 1.236 -2.523 -0.528 0.00 0.00 H+0 HETATM 193 H UNK 0 0.203 -3.365 2.180 0.00 0.00 H+0 HETATM 194 H UNK 0 -0.532 -1.362 0.002 0.00 0.00 H+0 HETATM 195 H UNK 0 0.104 -1.026 1.605 0.00 0.00 H+0 HETATM 196 H UNK 0 -2.160 -1.823 2.634 0.00 0.00 H+0 HETATM 197 H UNK 0 -2.099 0.131 0.373 0.00 0.00 H+0 HETATM 198 H UNK 0 -1.814 0.426 2.170 0.00 0.00 H+0 HETATM 199 H UNK 0 -3.461 0.017 1.546 0.00 0.00 H+0 HETATM 200 H UNK 0 -3.794 -1.621 0.411 0.00 0.00 H+0 HETATM 201 H UNK 0 -3.394 -3.205 1.117 0.00 0.00 H+0 HETATM 202 H UNK 0 -2.446 -2.582 -0.326 0.00 0.00 H+0 HETATM 203 H UNK 0 -2.016 -5.121 1.263 0.00 0.00 H+0 HETATM 204 H UNK 0 0.275 -6.434 -0.549 0.00 0.00 H+0 HETATM 205 H UNK 0 -0.239 -6.029 -2.283 0.00 0.00 H+0 HETATM 206 H UNK 0 -0.736 -7.548 -1.546 0.00 0.00 H+0 HETATM 207 H UNK 0 -3.424 -6.720 0.454 0.00 0.00 H+0 HETATM 208 H UNK 0 -1.811 -7.426 0.745 0.00 0.00 H+0 HETATM 209 H UNK 0 -2.675 -7.833 -0.839 0.00 0.00 H+0 HETATM 210 H UNK 0 -1.765 -3.772 -2.683 0.00 0.00 H+0 HETATM 211 H UNK 0 -3.608 -4.776 -4.393 0.00 0.00 H+0 HETATM 212 H UNK 0 -4.612 -4.067 -3.013 0.00 0.00 H+0 HETATM 213 H UNK 0 -4.900 -2.820 -5.654 0.00 0.00 H+0 HETATM 214 H UNK 0 -5.506 -0.318 -4.189 0.00 0.00 H+0 HETATM 215 H UNK 0 -3.925 0.420 -3.921 0.00 0.00 H+0 HETATM 216 H UNK 0 -4.987 1.104 -5.193 0.00 0.00 H+0 HETATM 217 H UNK 0 -4.797 -1.452 -7.705 0.00 0.00 H+0 HETATM 218 H UNK 0 -6.103 -0.894 -6.599 0.00 0.00 H+0 HETATM 219 H UNK 0 -4.911 0.335 -7.324 0.00 0.00 H+0 HETATM 220 H UNK 0 -3.059 1.496 -5.346 0.00 0.00 H+0 HETATM 221 H UNK 0 -0.418 2.376 -8.039 0.00 0.00 H+0 HETATM 222 H UNK 0 -1.193 0.714 -8.208 0.00 0.00 H+0 HETATM 223 H UNK 0 -2.200 2.225 -8.034 0.00 0.00 H+0 HETATM 224 H UNK 0 -1.722 3.158 -4.865 0.00 0.00 H+0 HETATM 225 H UNK 0 -1.930 3.633 -6.541 0.00 0.00 H+0 HETATM 226 H UNK 0 -0.272 3.601 -5.961 0.00 0.00 H+0 HETATM 227 H UNK 0 2.269 -0.307 -6.551 0.00 0.00 H+0 HETATM 228 H UNK 0 3.293 1.186 -6.223 0.00 0.00 H+0 HETATM 229 H UNK 0 4.095 0.123 -4.335 0.00 0.00 H+0 HETATM 230 H UNK 0 2.877 -1.195 -4.428 0.00 0.00 H+0 HETATM 231 H UNK 0 1.153 0.117 -3.402 0.00 0.00 H+0 HETATM 232 H UNK 0 2.644 0.862 -2.567 0.00 0.00 H+0 HETATM 233 H UNK 0 3.027 2.119 -4.552 0.00 0.00 H+0 HETATM 234 H UNK 0 -0.110 4.338 -3.778 0.00 0.00 H+0 HETATM 235 H UNK 0 1.277 4.072 -1.164 0.00 0.00 H+0 HETATM 236 H UNK 0 -0.153 4.179 0.633 0.00 0.00 H+0 HETATM 237 H UNK 0 -3.407 6.398 1.482 0.00 0.00 H+0 HETATM 238 H UNK 0 -2.685 6.671 -0.199 0.00 0.00 H+0 HETATM 239 H UNK 0 -1.679 6.795 1.282 0.00 0.00 H+0 HETATM 240 H UNK 0 -2.801 4.957 2.853 0.00 0.00 H+0 HETATM 241 H UNK 0 -1.052 4.732 2.580 0.00 0.00 H+0 HETATM 242 H UNK 0 -2.217 3.326 2.431 0.00 0.00 H+0 HETATM 243 H UNK 0 -4.217 3.649 2.125 0.00 0.00 H+0 HETATM 244 H UNK 0 -6.081 3.185 2.805 0.00 0.00 H+0 HETATM 245 H UNK 0 -7.511 2.636 1.870 0.00 0.00 H+0 HETATM 246 H UNK 0 -6.123 1.489 2.147 0.00 0.00 H+0 HETATM 247 H UNK 0 -6.488 4.976 1.333 0.00 0.00 H+0 HETATM 248 H UNK 0 -6.001 4.891 -0.384 0.00 0.00 H+0 HETATM 249 H UNK 0 -7.564 4.032 0.148 0.00 0.00 H+0 HETATM 250 H UNK 0 -7.965 2.069 -0.156 0.00 0.00 H+0 HETATM 251 H UNK 0 -6.446 0.929 -2.505 0.00 0.00 H+0 HETATM 252 H UNK 0 -8.469 1.155 -3.834 0.00 0.00 H+0 HETATM 253 H UNK 0 -9.394 1.842 -2.503 0.00 0.00 H+0 HETATM 254 H UNK 0 -7.513 3.716 -2.471 0.00 0.00 H+0 HETATM 255 H UNK 0 -6.865 2.912 -3.928 0.00 0.00 H+0 HETATM 256 H UNK 0 -8.121 5.244 -5.640 0.00 0.00 H+0 HETATM 257 H UNK 0 -8.102 -0.800 -3.735 0.00 0.00 H+0 HETATM 258 H UNK 0 -8.688 -2.849 -1.566 0.00 0.00 H+0 HETATM 259 H UNK 0 -10.260 -2.526 -4.171 0.00 0.00 H+0 HETATM 260 H UNK 0 -10.420 -3.754 -2.891 0.00 0.00 H+0 HETATM 261 H UNK 0 -11.005 -2.127 -1.191 0.00 0.00 H+0 HETATM 262 H UNK 0 -10.723 -0.775 -2.330 0.00 0.00 H+0 HETATM 263 H UNK 0 -14.286 -1.901 -1.571 0.00 0.00 H+0 HETATM 264 H UNK 0 -13.681 -0.317 -2.103 0.00 0.00 H+0 HETATM 265 H UNK 0 -8.995 -5.304 -3.147 0.00 0.00 H+0 HETATM 266 H UNK 0 -6.343 -5.150 -4.505 0.00 0.00 H+0 HETATM 267 H UNK 0 -6.402 -7.702 -4.188 0.00 0.00 H+0 HETATM 268 H UNK 0 -6.794 -6.786 -2.664 0.00 0.00 H+0 HETATM 269 H UNK 0 -8.188 -8.673 -3.510 0.00 0.00 H+0 HETATM 270 H UNK 0 -8.044 -4.738 -6.216 0.00 0.00 H+0 HETATM 271 H UNK 0 -8.927 -6.194 -5.778 0.00 0.00 H+0 HETATM 272 H UNK 0 -6.111 -6.046 -6.906 0.00 0.00 H+0 HETATM 273 H UNK 0 -5.847 -8.180 -6.355 0.00 0.00 H+0 HETATM 274 H UNK 0 -7.596 -8.535 -6.022 0.00 0.00 H+0 HETATM 275 H UNK 0 -6.919 -8.490 -7.709 0.00 0.00 H+0 HETATM 276 H UNK 0 -7.848 -5.249 -8.464 0.00 0.00 H+0 HETATM 277 H UNK 0 -8.816 -6.785 -8.224 0.00 0.00 H+0 HETATM 278 H UNK 0 -7.173 -6.813 -8.999 0.00 0.00 H+0 HETATM 279 H UNK 0 2.307 5.783 -2.512 0.00 0.00 H+0 HETATM 280 H UNK 0 0.130 6.321 -3.911 0.00 0.00 H+0 HETATM 281 H UNK 0 1.273 7.645 -3.353 0.00 0.00 H+0 HETATM 282 H UNK 0 -0.256 7.399 -2.489 0.00 0.00 H+0 HETATM 283 H UNK 0 0.699 7.522 -0.641 0.00 0.00 H+0 HETATM 284 H UNK 0 1.591 6.060 0.086 0.00 0.00 H+0 HETATM 285 H UNK 0 2.453 7.298 -0.863 0.00 0.00 H+0 CONECT 1 2 136 137 138 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 139 CONECT 5 4 6 7 8 CONECT 6 5 140 141 142 CONECT 7 5 143 144 145 CONECT 8 5 9 10 CONECT 9 8 CONECT 10 8 11 14 CONECT 11 10 12 146 147 CONECT 12 11 13 148 149 CONECT 13 12 14 150 151 CONECT 14 13 15 10 152 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 153 CONECT 18 17 19 20 21 CONECT 19 18 154 155 156 CONECT 20 18 157 158 159 CONECT 21 18 22 23 CONECT 22 21 CONECT 23 21 24 160 CONECT 24 23 25 26 161 CONECT 25 24 162 163 164 CONECT 26 24 27 28 CONECT 27 26 CONECT 28 26 29 165 CONECT 29 28 30 31 32 CONECT 30 29 166 167 168 CONECT 31 29 169 170 171 CONECT 32 29 33 34 CONECT 33 32 CONECT 34 32 35 172 CONECT 35 34 36 37 173 CONECT 36 35 174 175 176 CONECT 37 35 38 39 CONECT 38 37 CONECT 39 37 40 177 CONECT 40 39 41 46 178 CONECT 41 40 42 179 180 CONECT 42 41 43 181 182 CONECT 43 42 44 45 CONECT 44 43 183 184 CONECT 45 43 CONECT 46 40 47 48 CONECT 47 46 CONECT 48 46 49 185 CONECT 49 48 50 51 52 CONECT 50 49 186 187 188 CONECT 51 49 189 190 191 CONECT 52 49 53 54 CONECT 53 52 CONECT 54 52 55 192 CONECT 55 54 56 60 193 CONECT 56 55 57 194 195 CONECT 57 56 58 59 196 CONECT 58 57 197 198 199 CONECT 59 57 200 201 202 CONECT 60 55 61 62 CONECT 61 60 CONECT 62 60 63 203 CONECT 63 62 64 65 66 CONECT 64 63 204 205 206 CONECT 65 63 207 208 209 CONECT 66 63 67 68 CONECT 67 66 CONECT 68 66 69 210 CONECT 69 68 70 211 212 CONECT 70 69 71 72 CONECT 71 70 CONECT 72 70 73 213 CONECT 73 72 74 75 76 CONECT 74 73 214 215 216 CONECT 75 73 217 218 219 CONECT 76 73 77 78 CONECT 77 76 CONECT 78 76 79 220 CONECT 79 78 80 81 82 CONECT 80 79 221 222 223 CONECT 81 79 224 225 226 CONECT 82 79 83 84 CONECT 83 82 CONECT 84 82 85 88 CONECT 85 84 86 227 228 CONECT 86 85 87 229 230 CONECT 87 86 88 231 232 CONECT 88 87 89 84 233 CONECT 89 88 90 91 CONECT 90 89 CONECT 91 89 92 234 CONECT 92 91 93 133 235 CONECT 93 92 94 95 CONECT 94 93 CONECT 95 93 96 236 CONECT 96 95 97 98 99 CONECT 97 96 237 238 239 CONECT 98 96 240 241 242 CONECT 99 96 100 101 CONECT 100 99 CONECT 101 99 102 243 CONECT 102 101 103 104 105 CONECT 103 102 244 245 246 CONECT 104 102 247 248 249 CONECT 105 102 106 107 CONECT 106 105 CONECT 107 105 108 250 CONECT 108 107 109 114 251 CONECT 109 108 110 252 253 CONECT 110 109 111 254 255 CONECT 111 110 112 113 CONECT 112 111 CONECT 113 111 256 CONECT 114 108 115 116 CONECT 115 114 CONECT 116 114 117 257 CONECT 117 116 118 123 258 CONECT 118 117 119 259 260 CONECT 119 118 120 261 262 CONECT 120 119 121 122 CONECT 121 120 263 264 CONECT 122 120 CONECT 123 117 124 125 CONECT 124 123 CONECT 125 123 126 265 CONECT 126 125 127 129 266 CONECT 127 126 128 267 268 CONECT 128 127 269 CONECT 129 126 130 270 271 CONECT 130 129 131 132 272 CONECT 131 130 273 274 275 CONECT 132 130 276 277 278 CONECT 133 92 134 135 279 CONECT 134 133 280 281 282 CONECT 135 133 283 284 285 CONECT 136 1 CONECT 137 1 CONECT 138 1 CONECT 139 4 CONECT 140 6 CONECT 141 6 CONECT 142 6 CONECT 143 7 CONECT 144 7 CONECT 145 7 CONECT 146 11 CONECT 147 11 CONECT 148 12 CONECT 149 12 CONECT 150 13 CONECT 151 13 CONECT 152 14 CONECT 153 17 CONECT 154 19 CONECT 155 19 CONECT 156 19 CONECT 157 20 CONECT 158 20 CONECT 159 20 CONECT 160 23 CONECT 161 24 CONECT 162 25 CONECT 163 25 CONECT 164 25 CONECT 165 28 CONECT 166 30 CONECT 167 30 CONECT 168 30 CONECT 169 31 CONECT 170 31 CONECT 171 31 CONECT 172 34 CONECT 173 35 CONECT 174 36 CONECT 175 36 CONECT 176 36 CONECT 177 39 CONECT 178 40 CONECT 179 41 CONECT 180 41 CONECT 181 42 CONECT 182 42 CONECT 183 44 CONECT 184 44 CONECT 185 48 CONECT 186 50 CONECT 187 50 CONECT 188 50 CONECT 189 51 CONECT 190 51 CONECT 191 51 CONECT 192 54 CONECT 193 55 CONECT 194 56 CONECT 195 56 CONECT 196 57 CONECT 197 58 CONECT 198 58 CONECT 199 58 CONECT 200 59 CONECT 201 59 CONECT 202 59 CONECT 203 62 CONECT 204 64 CONECT 205 64 CONECT 206 64 CONECT 207 65 CONECT 208 65 CONECT 209 65 CONECT 210 68 CONECT 211 69 CONECT 212 69 CONECT 213 72 CONECT 214 74 CONECT 215 74 CONECT 216 74 CONECT 217 75 CONECT 218 75 CONECT 219 75 CONECT 220 78 CONECT 221 80 CONECT 222 80 CONECT 223 80 CONECT 224 81 CONECT 225 81 CONECT 226 81 CONECT 227 85 CONECT 228 85 CONECT 229 86 CONECT 230 86 CONECT 231 87 CONECT 232 87 CONECT 233 88 CONECT 234 91 CONECT 235 92 CONECT 236 95 CONECT 237 97 CONECT 238 97 CONECT 239 97 CONECT 240 98 CONECT 241 98 CONECT 242 98 CONECT 243 101 CONECT 244 103 CONECT 245 103 CONECT 246 103 CONECT 247 104 CONECT 248 104 CONECT 249 104 CONECT 250 107 CONECT 251 108 CONECT 252 109 CONECT 253 109 CONECT 254 110 CONECT 255 110 CONECT 256 113 CONECT 257 116 CONECT 258 117 CONECT 259 118 CONECT 260 118 CONECT 261 119 CONECT 262 119 CONECT 263 121 CONECT 264 121 CONECT 265 125 CONECT 266 126 CONECT 267 127 CONECT 268 127 CONECT 269 128 CONECT 270 129 CONECT 271 129 CONECT 272 130 CONECT 273 131 CONECT 274 131 CONECT 275 131 CONECT 276 132 CONECT 277 132 CONECT 278 132 CONECT 279 133 CONECT 280 134 CONECT 281 134 CONECT 282 134 CONECT 283 135 CONECT 284 135 CONECT 285 135 MASTER 0 0 0 0 0 0 0 0 285 0 572 0 END SMILES for NP0022676 (Hypelcin B-II)[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]1([H])N(C(=O)C(N([H])C(=O)C(N([H])C(=O)C([H])([H])N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)[C@@]2([H])N(C(=O)C(N([H])C(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H] INCHI for NP0022676 (Hypelcin B-II)InChI=1S/C88H150N22O25/c1-44(2)40-50(43-111)94-64(120)51(32-35-57(89)113)96-65(121)52(34-37-60(116)117)97-75(131)84(18,19)107-77(133)86(22,23)106-70(126)61(46(5)6)99-68(124)55-30-28-38-109(55)79(135)88(26,27)108-76(132)85(20,21)101-59(115)42-91-71(127)80(10,11)104-67(123)54(41-45(3)4)98-74(130)83(16,17)103-66(122)53(33-36-58(90)114)95-62(118)47(7)92-72(128)81(12,13)102-63(119)48(8)93-73(129)82(14,15)105-69(125)56-31-29-39-110(56)78(134)87(24,25)100-49(9)112/h44-48,50-56,61,111H,28-43H2,1-27H3,(H2,89,113)(H2,90,114)(H,91,127)(H,92,128)(H,93,129)(H,94,120)(H,95,118)(H,96,121)(H,97,131)(H,98,130)(H,99,124)(H,100,112)(H,101,115)(H,102,119)(H,103,122)(H,104,123)(H,105,125)(H,106,126)(H,107,133)(H,108,132)(H,116,117)/t47-,48+,50-,51+,52-,53-,54+,55-,56+,61+/m1/s1 3D Structure for NP0022676 (Hypelcin B-II) | ||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
| ||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C88H150N22O25 | ||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1916.2970 Da | ||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1915.11425 Da | ||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (4R)-4-{[(1S)-3-carbamoyl-1-{[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamoyl}propyl]carbamoyl}-4-(2-{2-[(2S)-2-{[(2R)-1-{2-[2-(2-{2-[(2S)-2-{2-[(2R)-4-carbamoyl-2-[(2R)-2-{2-[(2S)-2-(2-{[(2S)-1-(2-acetamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}propanamido]butanamido]-2-methylpropanamido}-4-methylpentanamido]-2-methylpropanamido}acetamido)-2-methylpropanamido]-2-methylpropanoyl}pyrrolidin-2-yl]formamido}-3-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)butanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (4R)-4-{[(1S)-3-carbamoyl-1-{[(2R)-1-hydroxy-4-methylpentan-2-yl]carbamoyl}propyl]carbamoyl}-4-(2-{2-[(2S)-2-{[(2R)-1-{2-[2-(2-{2-[(2S)-2-{2-[(2R)-4-carbamoyl-2-[(2R)-2-{2-[(2S)-2-(2-{[(2S)-1-(2-acetamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}propanamido]butanamido]-2-methylpropanamido}-4-methylpentanamido]-2-methylpropanamido}acetamido)-2-methylpropanamido]-2-methylpropanoyl}pyrrolidin-2-yl]formamido}-3-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)butanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(C)CC(CO)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(O)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C1CCCN1C(=O)C(C)(C)NC(C)=O)C(C)C | ||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C88H150N22O25/c1-44(2)40-50(43-111)94-64(120)51(32-35-57(89)113)96-65(121)52(34-37-60(116)117)97-75(131)84(18,19)107-77(133)86(22,23)106-70(126)61(46(5)6)99-68(124)55-30-28-38-109(55)79(135)88(26,27)108-76(132)85(20,21)101-59(115)42-91-71(127)80(10,11)104-67(123)54(41-45(3)4)98-74(130)83(16,17)103-66(122)53(33-36-58(90)114)95-62(118)47(7)92-72(128)81(12,13)102-63(119)48(8)93-73(129)82(14,15)105-69(125)56-31-29-39-110(56)78(134)87(24,25)100-49(9)112/h44-48,50-56,61,111H,28-43H2,1-27H3,(H2,89,113)(H2,90,114)(H,91,127)(H,92,128)(H,93,129)(H,94,120)(H,95,118)(H,96,121)(H,97,131)(H,98,130)(H,99,124)(H,100,112)(H,101,115)(H,102,119)(H,103,122)(H,104,123)(H,105,125)(H,106,126)(H,107,133)(H,108,132)(H,116,117) | ||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | VGBLNYMWNHONFG-UHFFFAOYSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||
| |||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Shift Submissions | |||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||
Species | |||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
| ||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | ||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||
External Links | |||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA001197 | ||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78443884 | ||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139583423 | ||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
References | |||||||||||||||||||||||||||||||||||||||||||||||||
General References |
|