Showing NP-Card for Myropeptin A2 (NP0020563)
Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 05:58:07 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:34:00 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0020563 | ||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Myropeptin A2 | ||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||
Description | Myropeptin A2 is found in Myrothecium and Paramyrothecium roridum. It was first documented in 2019 (PMID: 31497968). Based on a literature review very few articles have been published on 2-{[(2S)-1-hydroxy-2-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-2-{[1-hydroxy-3-({1-hydroxy-2-[(1-hydroxy-2-{[(2S)-1-hydroxy-2-({1-hydroxy-3-[(1-hydroxy-2-{[(2S)-1-hydroxy-2-({hydroxy[(2S)-1-(2-{[1-hydroxy-2-({hydroxy[(2S)-1-(2-{[1-hydroxy-2-({hydroxy[(2S)-1-{2-[(1-hydroxydodecylidene)amino]-2-methylpropanoyl}pyrrolidin-2-yl]methylidene}amino)-2-methylpropylidene]amino}-2-methylpropanoyl)pyrrolidin-2-yl]methylidene}amino)-2-methylpropylidene]amino}-2-methylpropanoyl)pyrrolidin-2-yl]methylidene}amino)propylidene]amino}-2-methylpropylidene)amino]propylidene}amino)propylidene]amino}-2-methylpropylidene)amino]-2-methylpropylidene}amino)propylidene]amino}-2-methylpropylidene)amino]-2-methylpropylidene}amino)-2-methylpropylidene]amino}propylidene]amino}acetic acid. | ||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0020563 (Myropeptin A2)Mrv1652307042107523D 280282 0 0 0 0 999 V2000 7.3505 -0.4673 -1.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3693 -1.5502 -1.1595 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0604 -2.7504 -0.6061 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8004 -2.3834 0.6507 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8932 -1.8101 1.6924 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7828 -2.7496 2.1133 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9636 -1.9997 3.1217 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7805 -2.7647 3.6658 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0827 -1.8426 4.6239 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8546 -2.4524 5.2224 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1899 -1.4672 6.1413 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0694 -2.0713 6.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2057 -3.2966 6.5567 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0374 -1.2549 7.3056 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3087 -1.6763 7.8610 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1402 -2.4085 6.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9381 -2.7009 8.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9494 -0.5309 8.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1633 0.1217 9.3783 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2393 -0.0428 8.5014 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7516 1.0503 9.3555 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2121 0.7667 9.5168 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5950 0.1366 8.2201 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3311 -0.3718 7.6119 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1509 0.3805 6.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0052 0.1992 5.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0668 1.2482 6.0979 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7907 2.0022 4.9090 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5846 2.9217 5.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 2.8596 4.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2663 1.1126 3.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1023 -0.0652 4.0898 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0111 1.6543 2.5435 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4983 1.0059 1.3440 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0905 0.4625 1.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 2.0354 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -0.1365 0.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5197 -0.9893 1.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7268 -0.4680 -0.4049 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 -1.7423 -0.6504 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3418 -1.4625 -1.7561 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4885 -0.5217 -2.6237 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7750 0.3360 -1.6124 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6552 1.5145 -1.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6704 1.2424 -0.5932 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4649 2.8266 -1.7133 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3253 3.8912 -1.3001 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7306 3.8259 -1.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4045 3.8835 0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7362 5.2438 -1.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8411 5.2834 -2.4507 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1504 6.3815 -0.8822 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6602 7.7356 -1.0115 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4449 8.5831 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8525 8.1927 -2.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2057 7.7572 -0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7012 6.6169 -0.4057 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3629 8.8767 -0.6873 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6412 10.2625 -0.9409 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3467 10.9408 -1.3014 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3377 9.8513 -1.3765 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9197 8.8279 -0.3974 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5835 9.2985 0.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4042 10.0174 1.5735 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 8.9152 1.5056 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1887 9.2408 2.8159 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7044 8.1671 3.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 9.0338 2.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2491 9.4053 1.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3177 8.4406 3.8788 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 8.0719 4.0334 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6581 9.2008 4.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0977 7.2942 2.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8016 7.0881 5.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3423 7.4169 6.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3648 5.8304 4.9788 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5651 4.7373 5.8985 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9421 3.4943 4.9536 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6891 3.4015 4.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6005 3.6162 4.7985 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6655 3.1113 2.7725 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 3.0485 2.0455 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7228 4.4363 2.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6365 2.6701 0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 2.0181 0.3902 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7004 3.0345 -0.3972 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0139 2.5902 -1.7085 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4220 3.1039 -2.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0174 1.1055 -1.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1387 3.2004 -2.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7201 4.3470 -2.6294 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8707 2.4084 -3.8744 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1192 2.5819 -5.1182 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8258 3.5438 -5.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2047 3.2333 -4.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8154 1.2651 -5.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2812 0.3626 -4.8697 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0941 0.7858 -6.9594 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7571 -0.6237 -7.1140 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7678 -1.2897 -8.0796 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6356 -2.7509 -7.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5883 -3.1989 -7.3391 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6965 -3.6470 -8.1372 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 -5.0360 -7.7853 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4414 -5.0767 -6.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 -5.6366 -8.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5554 -5.8319 -8.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4454 -5.7905 -9.6715 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 -6.6183 -7.6191 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 -7.4844 -8.0223 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2715 -6.7963 -9.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -8.8377 -8.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3176 -7.5687 -6.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1891 -6.7340 -5.8972 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3069 -8.5545 -6.7996 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3007 -8.7062 -5.7713 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2344 -7.5248 -5.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 -9.9937 -5.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7071 -8.7049 -4.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5161 -8.6840 -4.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6756 -8.7299 -3.3305 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2299 -8.7264 -1.9577 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8377 -7.4678 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8189 -9.8970 -1.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5629 -10.7398 -1.7914 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5356 -10.0608 0.1492 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1028 -11.1891 0.8545 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7021 -11.1844 2.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9794 -10.2656 2.7264 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1481 -12.2064 3.1339 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8178 -0.0760 -0.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1848 -0.8227 -2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8744 0.4161 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6514 -1.1355 -0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7563 -1.8468 -2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8516 -3.0782 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3548 -3.5919 -0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2995 -3.2860 1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5937 -1.6717 0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4845 -0.8206 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5361 -1.6023 2.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2459 -3.6298 2.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1909 -3.1072 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 -1.0516 2.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6288 -1.7894 4.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1218 -3.6842 4.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 -3.1250 2.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7905 -1.6683 5.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9006 -0.8803 4.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1896 -3.3111 5.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1179 -2.7958 4.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9277 -1.2619 6.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 -0.5410 5.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7907 -0.2156 7.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4782 -3.2064 6.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5446 -1.8671 6.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9058 -3.0795 7.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -2.1658 9.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8303 -3.3019 9.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 -3.3404 8.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2486 1.0261 10.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5546 1.9950 8.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4533 0.1371 10.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7423 1.7626 9.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3205 -0.7108 8.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0920 0.8826 7.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4526 -1.4179 7.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 1.3228 6.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 2.3851 5.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5735 3.7675 4.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8281 3.3323 6.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6149 2.2585 3.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4905 3.1620 5.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6365 3.8093 3.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2124 2.7130 2.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5308 0.0620 1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3552 -0.3124 2.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5897 1.2839 2.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7928 1.7068 -0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7544 2.8755 0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0853 2.5410 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5825 -2.4525 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8782 -2.1125 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2088 -0.9362 -1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 -2.3759 -2.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1041 0.0005 -3.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7563 -1.2206 -3.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 0.5258 -1.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6677 3.0638 -2.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3634 3.2743 -1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1296 4.8876 -1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9008 3.4923 -2.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6425 4.5990 0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3993 4.3243 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3554 2.9037 0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9201 6.2324 -0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7545 9.2878 0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3496 9.0091 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7945 7.9084 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3033 9.2327 -2.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8676 8.2953 -2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5645 7.5646 -2.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0154 10.7928 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3276 10.4238 -1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4122 11.4485 -2.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0677 11.7654 -0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6649 10.1395 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3221 9.4458 -2.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4977 7.8444 -0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3112 8.2949 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8412 10.1784 3.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3123 7.2552 3.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7504 8.5340 4.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3686 7.9397 3.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 8.2268 4.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0075 9.5681 3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 8.9076 4.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1603 10.0596 4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4865 6.3998 2.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 7.0069 2.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9116 7.9156 1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 5.5839 3.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3944 4.8033 6.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6266 4.4648 6.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1525 2.6442 5.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 3.8416 4.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5249 2.9295 2.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 2.4051 2.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2016 5.0342 1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 4.8890 2.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 4.2252 1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8878 3.5870 -0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5926 4.0074 -1.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1889 2.3332 -1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4962 3.3592 -3.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 0.5913 -0.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 0.7020 -2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7043 0.7062 -2.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3313 1.3901 -3.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4707 4.5975 -5.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7295 3.2590 -7.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9189 3.5266 -5.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0707 4.2320 -4.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8247 3.2786 -5.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6268 2.6122 -3.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 1.3916 -7.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -0.6156 -7.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6253 -1.1426 -6.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7579 -0.9000 -7.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5655 -0.9492 -9.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5344 -3.2634 -8.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4639 -4.7557 -5.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 -4.3617 -5.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7509 -6.0938 -5.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0027 -5.9459 -9.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7709 -4.8677 -7.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2266 -6.4411 -7.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8665 -6.5839 -6.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 -6.6590 -9.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 -7.5570 -9.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6933 -5.8690 -8.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8378 -9.2007 -9.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -8.9441 -9.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0654 -9.5455 -7.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3501 -9.2541 -7.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0646 -6.8473 -4.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2977 -7.8351 -5.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0778 -6.9598 -6.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5881 -10.8034 -5.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0293 -10.3846 -6.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1095 -9.8620 -5.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6851 -8.7415 -3.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1407 -8.6835 -1.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9381 -7.5916 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5194 -7.3770 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 -6.6080 -1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 -9.4040 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -12.1468 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1945 -11.1046 0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5427 -13.0157 3.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 1 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 6 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 6 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 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 50 1 1 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53 56 1 1 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 63 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 68 69 2 0 0 0 0 68 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 73 1 0 0 0 0 71 74 1 1 0 0 0 74 75 2 0 0 0 0 74 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 2 0 0 0 0 79 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 1 0 0 0 0 84 85 2 0 0 0 0 84 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 1 0 0 0 0 87 90 1 6 0 0 0 90 91 2 0 0 0 0 90 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 1 0 0 0 0 93 96 1 6 0 0 0 96 97 2 0 0 0 0 96 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 2 0 0 0 0 101103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 104106 1 0 0 0 0 104107 1 6 0 0 0 107108 2 0 0 0 0 107109 1 0 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110112 1 0 0 0 0 110113 1 1 0 0 0 113114 2 0 0 0 0 113115 1 0 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116118 1 0 0 0 0 116119 1 1 0 0 0 119120 2 0 0 0 0 119121 1 0 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 122124 1 0 0 0 0 124125 2 0 0 0 0 124126 1 0 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 128129 2 0 0 0 0 128130 1 0 0 0 0 24 20 1 0 0 0 0 43 39 1 0 0 0 0 62 58 1 0 0 0 0 1131 1 0 0 0 0 1132 1 0 0 0 0 1133 1 0 0 0 0 2134 1 0 0 0 0 2135 1 0 0 0 0 3136 1 0 0 0 0 3137 1 0 0 0 0 4138 1 0 0 0 0 4139 1 0 0 0 0 5140 1 0 0 0 0 5141 1 0 0 0 0 6142 1 0 0 0 0 6143 1 0 0 0 0 7144 1 0 0 0 0 7145 1 0 0 0 0 8146 1 0 0 0 0 8147 1 0 0 0 0 9148 1 0 0 0 0 9149 1 0 0 0 0 10150 1 0 0 0 0 10151 1 0 0 0 0 11152 1 0 0 0 0 11153 1 0 0 0 0 14154 1 0 0 0 0 16155 1 0 0 0 0 16156 1 0 0 0 0 16157 1 0 0 0 0 17158 1 0 0 0 0 17159 1 0 0 0 0 17160 1 0 0 0 0 21161 1 0 0 0 0 21162 1 0 0 0 0 22163 1 0 0 0 0 22164 1 0 0 0 0 23165 1 0 0 0 0 23166 1 0 0 0 0 24167 1 6 0 0 0 27168 1 0 0 0 0 29169 1 0 0 0 0 29170 1 0 0 0 0 29171 1 0 0 0 0 30172 1 0 0 0 0 30173 1 0 0 0 0 30174 1 0 0 0 0 33175 1 0 0 0 0 35176 1 0 0 0 0 35177 1 0 0 0 0 35178 1 0 0 0 0 36179 1 0 0 0 0 36180 1 0 0 0 0 36181 1 0 0 0 0 40182 1 0 0 0 0 40183 1 0 0 0 0 41184 1 0 0 0 0 41185 1 0 0 0 0 42186 1 0 0 0 0 42187 1 0 0 0 0 43188 1 6 0 0 0 46189 1 0 0 0 0 48190 1 0 0 0 0 48191 1 0 0 0 0 48192 1 0 0 0 0 49193 1 0 0 0 0 49194 1 0 0 0 0 49195 1 0 0 0 0 52196 1 0 0 0 0 54197 1 0 0 0 0 54198 1 0 0 0 0 54199 1 0 0 0 0 55200 1 0 0 0 0 55201 1 0 0 0 0 55202 1 0 0 0 0 59203 1 0 0 0 0 59204 1 0 0 0 0 60205 1 0 0 0 0 60206 1 0 0 0 0 61207 1 0 0 0 0 61208 1 0 0 0 0 62209 1 6 0 0 0 65210 1 0 0 0 0 66211 1 1 0 0 0 67212 1 0 0 0 0 67213 1 0 0 0 0 67214 1 0 0 0 0 70215 1 0 0 0 0 72216 1 0 0 0 0 72217 1 0 0 0 0 72218 1 0 0 0 0 73219 1 0 0 0 0 73220 1 0 0 0 0 73221 1 0 0 0 0 76222 1 0 0 0 0 77223 1 0 0 0 0 77224 1 0 0 0 0 78225 1 0 0 0 0 78226 1 0 0 0 0 81227 1 0 0 0 0 82228 1 1 0 0 0 83229 1 0 0 0 0 83230 1 0 0 0 0 83231 1 0 0 0 0 86232 1 0 0 0 0 88233 1 0 0 0 0 88234 1 0 0 0 0 88235 1 0 0 0 0 89236 1 0 0 0 0 89237 1 0 0 0 0 89238 1 0 0 0 0 92239 1 0 0 0 0 94240 1 0 0 0 0 94241 1 0 0 0 0 94242 1 0 0 0 0 95243 1 0 0 0 0 95244 1 0 0 0 0 95245 1 0 0 0 0 98246 1 0 0 0 0 99247 1 0 0 0 0 99248 1 0 0 0 0 100249 1 0 0 0 0 100250 1 0 0 0 0 103251 1 0 0 0 0 105252 1 0 0 0 0 105253 1 0 0 0 0 105254 1 0 0 0 0 106255 1 0 0 0 0 106256 1 0 0 0 0 106257 1 0 0 0 0 109258 1 0 0 0 0 111259 1 0 0 0 0 111260 1 0 0 0 0 111261 1 0 0 0 0 112262 1 0 0 0 0 112263 1 0 0 0 0 112264 1 0 0 0 0 115265 1 0 0 0 0 117266 1 0 0 0 0 117267 1 0 0 0 0 117268 1 0 0 0 0 118269 1 0 0 0 0 118270 1 0 0 0 0 118271 1 0 0 0 0 121272 1 0 0 0 0 122273 1 6 0 0 0 123274 1 0 0 0 0 123275 1 0 0 0 0 123276 1 0 0 0 0 126277 1 0 0 0 0 127278 1 0 0 0 0 127279 1 0 0 0 0 130280 1 0 0 0 0 M END 3D MOL for NP0020563 (Myropeptin A2)RDKit 3D 280282 0 0 0 0 0 0 0 0999 V2000 7.3505 -0.4673 -1.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3693 -1.5502 -1.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0604 -2.7504 -0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8004 -2.3834 0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8932 -1.8101 1.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7828 -2.7496 2.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9636 -1.9997 3.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7805 -2.7647 3.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0827 -1.8426 4.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8546 -2.4524 5.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1899 -1.4672 6.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0694 -2.0713 6.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2057 -3.2966 6.5567 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0374 -1.2549 7.3056 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3087 -1.6763 7.8610 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1402 -2.4085 6.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9381 -2.7009 8.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9494 -0.5309 8.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1633 0.1217 9.3783 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2393 -0.0428 8.5014 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7516 1.0503 9.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2121 0.7667 9.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5950 0.1366 8.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3311 -0.3718 7.6119 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1509 0.3805 6.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0052 0.1992 5.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0668 1.2482 6.0979 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7907 2.0022 4.9090 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5846 2.9217 5.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 2.8596 4.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2663 1.1126 3.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1023 -0.0652 4.0898 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0111 1.6543 2.5435 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4983 1.0059 1.3440 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0905 0.4625 1.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 2.0354 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -0.1365 0.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5197 -0.9893 1.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7268 -0.4680 -0.4049 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 -1.7423 -0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3418 -1.4625 -1.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4885 -0.5217 -2.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 0.3360 -1.6124 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6552 1.5145 -1.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6704 1.2424 -0.5932 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4649 2.8266 -1.7133 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3253 3.8912 -1.3001 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7306 3.8259 -1.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4045 3.8835 0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7362 5.2438 -1.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8411 5.2834 -2.4507 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1504 6.3815 -0.8822 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6602 7.7356 -1.0115 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4449 8.5831 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8525 8.1927 -2.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2057 7.7572 -0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7012 6.6169 -0.4057 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3629 8.8767 -0.6873 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6412 10.2625 -0.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3467 10.9408 -1.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3377 9.8513 -1.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9197 8.8279 -0.3974 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5835 9.2985 0.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4042 10.0174 1.5735 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 8.9152 1.5056 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1887 9.2408 2.8159 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7044 8.1671 3.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 9.0338 2.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2491 9.4053 1.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3177 8.4406 3.8788 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 8.0719 4.0334 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6581 9.2008 4.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0977 7.2942 2.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8016 7.0881 5.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3423 7.4169 6.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3648 5.8304 4.9788 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5651 4.7373 5.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9421 3.4943 4.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6891 3.4015 4.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6005 3.6162 4.7985 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6655 3.1113 2.7725 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 3.0485 2.0455 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7228 4.4363 2.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6365 2.6701 0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 2.0181 0.3902 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7004 3.0345 -0.3972 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0139 2.5902 -1.7085 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4220 3.1039 -2.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0174 1.1055 -1.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1387 3.2004 -2.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7201 4.3470 -2.6294 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8707 2.4084 -3.8744 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1192 2.5819 -5.1182 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8258 3.5438 -5.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2047 3.2333 -4.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8154 1.2651 -5.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2812 0.3626 -4.8697 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0941 0.7858 -6.9594 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7571 -0.6237 -7.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 -1.2897 -8.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -2.7509 -7.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5883 -3.1989 -7.3391 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6965 -3.6470 -8.1372 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 -5.0360 -7.7853 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4414 -5.0767 -6.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 -5.6366 -8.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5554 -5.8319 -8.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4454 -5.7905 -9.6715 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 -6.6183 -7.6191 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 -7.4844 -8.0223 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2715 -6.7963 -9.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -8.8377 -8.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3176 -7.5687 -6.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1891 -6.7340 -5.8972 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3069 -8.5545 -6.7996 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3007 -8.7062 -5.7713 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2344 -7.5248 -5.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 -9.9937 -5.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7071 -8.7049 -4.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5161 -8.6840 -4.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6756 -8.7299 -3.3305 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2299 -8.7264 -1.9577 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8377 -7.4678 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8189 -9.8970 -1.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5629 -10.7398 -1.7914 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5356 -10.0608 0.1492 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1028 -11.1891 0.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 -11.1844 2.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9794 -10.2656 2.7264 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1481 -12.2064 3.1339 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8178 -0.0760 -0.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1848 -0.8227 -2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8744 0.4161 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6514 -1.1355 -0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7563 -1.8468 -2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8516 -3.0782 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3548 -3.5919 -0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2995 -3.2860 1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5937 -1.6717 0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4845 -0.8206 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5361 -1.6023 2.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2459 -3.6298 2.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1909 -3.1072 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 -1.0516 2.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6288 -1.7894 4.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1218 -3.6842 4.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 -3.1250 2.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7905 -1.6683 5.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9006 -0.8803 4.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1896 -3.3111 5.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1179 -2.7958 4.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9277 -1.2619 6.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 -0.5410 5.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7907 -0.2156 7.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4782 -3.2064 6.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5446 -1.8671 6.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9058 -3.0795 7.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -2.1658 9.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8303 -3.3019 9.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 -3.3404 8.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2486 1.0261 10.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5546 1.9950 8.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4533 0.1371 10.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7423 1.7626 9.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3205 -0.7108 8.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0920 0.8826 7.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4526 -1.4179 7.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 1.3228 6.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 2.3851 5.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5735 3.7675 4.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8281 3.3323 6.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6149 2.2585 3.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4905 3.1620 5.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6365 3.8093 3.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2124 2.7130 2.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5308 0.0620 1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3552 -0.3124 2.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5897 1.2839 2.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7928 1.7068 -0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7544 2.8755 0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0853 2.5410 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5825 -2.4525 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8782 -2.1125 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2088 -0.9362 -1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 -2.3759 -2.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1041 0.0005 -3.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7563 -1.2206 -3.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 0.5258 -1.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6677 3.0638 -2.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3634 3.2743 -1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1296 4.8876 -1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9008 3.4923 -2.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6425 4.5990 0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3993 4.3243 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3554 2.9037 0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9201 6.2324 -0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7545 9.2878 0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3496 9.0091 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7945 7.9084 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3033 9.2327 -2.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8676 8.2953 -2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5645 7.5646 -2.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0154 10.7928 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3276 10.4238 -1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4122 11.4485 -2.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0677 11.7654 -0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6649 10.1395 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3221 9.4458 -2.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4977 7.8444 -0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3112 8.2949 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8412 10.1784 3.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3123 7.2552 3.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7504 8.5340 4.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3686 7.9397 3.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 8.2268 4.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0075 9.5681 3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 8.9076 4.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1603 10.0596 4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4865 6.3998 2.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 7.0069 2.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9116 7.9156 1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 5.5839 3.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3944 4.8033 6.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6266 4.4648 6.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1525 2.6442 5.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 3.8416 4.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5249 2.9295 2.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 2.4051 2.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2016 5.0342 1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 4.8890 2.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 4.2252 1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8878 3.5870 -0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5926 4.0074 -1.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1889 2.3332 -1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4962 3.3592 -3.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 0.5913 -0.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 0.7020 -2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7043 0.7062 -2.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3313 1.3901 -3.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4707 4.5975 -5.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7295 3.2590 -7.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9189 3.5266 -5.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0707 4.2320 -4.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8247 3.2786 -5.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6268 2.6122 -3.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 1.3916 -7.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -0.6156 -7.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6253 -1.1426 -6.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7579 -0.9000 -7.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5655 -0.9492 -9.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5344 -3.2634 -8.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4639 -4.7557 -5.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 -4.3617 -5.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7509 -6.0938 -5.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0027 -5.9459 -9.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7709 -4.8677 -7.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2266 -6.4411 -7.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8665 -6.5839 -6.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 -6.6590 -9.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 -7.5570 -9.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6933 -5.8690 -8.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8378 -9.2007 -9.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -8.9441 -9.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0654 -9.5455 -7.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3501 -9.2541 -7.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0646 -6.8473 -4.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2977 -7.8351 -5.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0778 -6.9598 -6.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5881 -10.8034 -5.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0293 -10.3846 -6.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1095 -9.8620 -5.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6851 -8.7415 -3.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1407 -8.6835 -1.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9381 -7.5916 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5194 -7.3770 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 -6.6080 -1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 -9.4040 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -12.1468 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1945 -11.1046 0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5427 -13.0157 3.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 1 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 28 31 1 6 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 6 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 44 45 2 0 44 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 47 50 1 1 50 51 2 0 50 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 56 1 1 56 57 2 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 2 0 63 65 1 0 65 66 1 0 66 67 1 0 66 68 1 0 68 69 2 0 68 70 1 0 70 71 1 0 71 72 1 0 71 73 1 0 71 74 1 1 74 75 2 0 74 76 1 0 76 77 1 0 77 78 1 0 78 79 1 0 79 80 2 0 79 81 1 0 81 82 1 0 82 83 1 0 82 84 1 0 84 85 2 0 84 86 1 0 86 87 1 0 87 88 1 0 87 89 1 0 87 90 1 6 90 91 2 0 90 92 1 0 92 93 1 0 93 94 1 0 93 95 1 0 93 96 1 6 96 97 2 0 96 98 1 0 98 99 1 0 99100 1 0 100101 1 0 101102 2 0 101103 1 0 103104 1 0 104105 1 0 104106 1 0 104107 1 6 107108 2 0 107109 1 0 109110 1 0 110111 1 0 110112 1 0 110113 1 1 113114 2 0 113115 1 0 115116 1 0 116117 1 0 116118 1 0 116119 1 1 119120 2 0 119121 1 0 121122 1 0 122123 1 0 122124 1 0 124125 2 0 124126 1 0 126127 1 0 127128 1 0 128129 2 0 128130 1 0 24 20 1 0 43 39 1 0 62 58 1 0 1131 1 0 1132 1 0 1133 1 0 2134 1 0 2135 1 0 3136 1 0 3137 1 0 4138 1 0 4139 1 0 5140 1 0 5141 1 0 6142 1 0 6143 1 0 7144 1 0 7145 1 0 8146 1 0 8147 1 0 9148 1 0 9149 1 0 10150 1 0 10151 1 0 11152 1 0 11153 1 0 14154 1 0 16155 1 0 16156 1 0 16157 1 0 17158 1 0 17159 1 0 17160 1 0 21161 1 0 21162 1 0 22163 1 0 22164 1 0 23165 1 0 23166 1 0 24167 1 6 27168 1 0 29169 1 0 29170 1 0 29171 1 0 30172 1 0 30173 1 0 30174 1 0 33175 1 0 35176 1 0 35177 1 0 35178 1 0 36179 1 0 36180 1 0 36181 1 0 40182 1 0 40183 1 0 41184 1 0 41185 1 0 42186 1 0 42187 1 0 43188 1 6 46189 1 0 48190 1 0 48191 1 0 48192 1 0 49193 1 0 49194 1 0 49195 1 0 52196 1 0 54197 1 0 54198 1 0 54199 1 0 55200 1 0 55201 1 0 55202 1 0 59203 1 0 59204 1 0 60205 1 0 60206 1 0 61207 1 0 61208 1 0 62209 1 6 65210 1 0 66211 1 1 67212 1 0 67213 1 0 67214 1 0 70215 1 0 72216 1 0 72217 1 0 72218 1 0 73219 1 0 73220 1 0 73221 1 0 76222 1 0 77223 1 0 77224 1 0 78225 1 0 78226 1 0 81227 1 0 82228 1 1 83229 1 0 83230 1 0 83231 1 0 86232 1 0 88233 1 0 88234 1 0 88235 1 0 89236 1 0 89237 1 0 89238 1 0 92239 1 0 94240 1 0 94241 1 0 94242 1 0 95243 1 0 95244 1 0 95245 1 0 98246 1 0 99247 1 0 99248 1 0 100249 1 0 100250 1 0 103251 1 0 105252 1 0 105253 1 0 105254 1 0 106255 1 0 106256 1 0 106257 1 0 109258 1 0 111259 1 0 111260 1 0 111261 1 0 112262 1 0 112263 1 0 112264 1 0 115265 1 0 117266 1 0 117267 1 0 117268 1 0 118269 1 0 118270 1 0 118271 1 0 121272 1 0 122273 1 6 123274 1 0 123275 1 0 123276 1 0 126277 1 0 127278 1 0 127279 1 0 130280 1 0 M END 3D SDF for NP0020563 (Myropeptin A2)Mrv1652307042107523D 280282 0 0 0 0 999 V2000 7.3505 -0.4673 -1.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3693 -1.5502 -1.1595 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0604 -2.7504 -0.6061 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8004 -2.3834 0.6507 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8932 -1.8101 1.6924 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7828 -2.7496 2.1133 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9636 -1.9997 3.1217 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7805 -2.7647 3.6658 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0827 -1.8426 4.6239 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8546 -2.4524 5.2224 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1899 -1.4672 6.1413 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0694 -2.0713 6.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2057 -3.2966 6.5567 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0374 -1.2549 7.3056 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3087 -1.6763 7.8610 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1402 -2.4085 6.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9381 -2.7009 8.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9494 -0.5309 8.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1633 0.1217 9.3783 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2393 -0.0428 8.5014 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7516 1.0503 9.3555 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2121 0.7667 9.5168 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5950 0.1366 8.2201 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3311 -0.3718 7.6119 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1509 0.3805 6.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0052 0.1992 5.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0668 1.2482 6.0979 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7907 2.0022 4.9090 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5846 2.9217 5.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 2.8596 4.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2663 1.1126 3.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1023 -0.0652 4.0898 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0111 1.6543 2.5435 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4983 1.0059 1.3440 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0905 0.4625 1.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 2.0354 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -0.1365 0.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5197 -0.9893 1.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7268 -0.4680 -0.4049 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 -1.7423 -0.6504 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3418 -1.4625 -1.7561 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4885 -0.5217 -2.6237 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7750 0.3360 -1.6124 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6552 1.5145 -1.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6704 1.2424 -0.5932 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4649 2.8266 -1.7133 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3253 3.8912 -1.3001 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7306 3.8259 -1.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4045 3.8835 0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7362 5.2438 -1.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8411 5.2834 -2.4507 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1504 6.3815 -0.8822 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6602 7.7356 -1.0115 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4449 8.5831 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8525 8.1927 -2.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2057 7.7572 -0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7012 6.6169 -0.4057 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3629 8.8767 -0.6873 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6412 10.2625 -0.9409 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3467 10.9408 -1.3014 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3377 9.8513 -1.3765 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9197 8.8279 -0.3974 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5835 9.2985 0.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4042 10.0174 1.5735 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 8.9152 1.5056 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1887 9.2408 2.8159 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7044 8.1671 3.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 9.0338 2.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2491 9.4053 1.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3177 8.4406 3.8788 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 8.0719 4.0334 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6581 9.2008 4.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0977 7.2942 2.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8016 7.0881 5.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3423 7.4169 6.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3648 5.8304 4.9788 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5651 4.7373 5.8985 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9421 3.4943 4.9536 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6891 3.4015 4.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6005 3.6162 4.7985 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6655 3.1113 2.7725 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 3.0485 2.0455 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7228 4.4363 2.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6365 2.6701 0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 2.0181 0.3902 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7004 3.0345 -0.3972 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0139 2.5902 -1.7085 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4220 3.1039 -2.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0174 1.1055 -1.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1387 3.2004 -2.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7201 4.3470 -2.6294 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8707 2.4084 -3.8744 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1192 2.5819 -5.1182 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8258 3.5438 -5.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2047 3.2333 -4.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8154 1.2651 -5.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2812 0.3626 -4.8697 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0941 0.7858 -6.9594 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7571 -0.6237 -7.1140 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7678 -1.2897 -8.0796 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6356 -2.7509 -7.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5883 -3.1989 -7.3391 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6965 -3.6470 -8.1372 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 -5.0360 -7.7853 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4414 -5.0767 -6.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 -5.6366 -8.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5554 -5.8319 -8.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4454 -5.7905 -9.6715 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 -6.6183 -7.6191 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 -7.4844 -8.0223 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2715 -6.7963 -9.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -8.8377 -8.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3176 -7.5687 -6.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1891 -6.7340 -5.8972 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3069 -8.5545 -6.7996 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3007 -8.7062 -5.7713 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2344 -7.5248 -5.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 -9.9937 -5.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7071 -8.7049 -4.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5161 -8.6840 -4.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6756 -8.7299 -3.3305 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2299 -8.7264 -1.9577 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8377 -7.4678 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8189 -9.8970 -1.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5629 -10.7398 -1.7914 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5356 -10.0608 0.1492 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1028 -11.1891 0.8545 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7021 -11.1844 2.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9794 -10.2656 2.7264 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1481 -12.2064 3.1339 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8178 -0.0760 -0.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1848 -0.8227 -2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8744 0.4161 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6514 -1.1355 -0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7563 -1.8468 -2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8516 -3.0782 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3548 -3.5919 -0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2995 -3.2860 1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5937 -1.6717 0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4845 -0.8206 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5361 -1.6023 2.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2459 -3.6298 2.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1909 -3.1072 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 -1.0516 2.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6288 -1.7894 4.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1218 -3.6842 4.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 -3.1250 2.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7905 -1.6683 5.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9006 -0.8803 4.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1896 -3.3111 5.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1179 -2.7958 4.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9277 -1.2619 6.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 -0.5410 5.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7907 -0.2156 7.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4782 -3.2064 6.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5446 -1.8671 6.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9058 -3.0795 7.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -2.1658 9.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8303 -3.3019 9.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 -3.3404 8.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2486 1.0261 10.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5546 1.9950 8.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4533 0.1371 10.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7423 1.7626 9.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3205 -0.7108 8.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0920 0.8826 7.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4526 -1.4179 7.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 1.3228 6.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 2.3851 5.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5735 3.7675 4.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8281 3.3323 6.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6149 2.2585 3.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4905 3.1620 5.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6365 3.8093 3.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2124 2.7130 2.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5308 0.0620 1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3552 -0.3124 2.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5897 1.2839 2.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7928 1.7068 -0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7544 2.8755 0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0853 2.5410 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5825 -2.4525 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8782 -2.1125 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2088 -0.9362 -1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 -2.3759 -2.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1041 0.0005 -3.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7563 -1.2206 -3.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 0.5258 -1.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6677 3.0638 -2.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3634 3.2743 -1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1296 4.8876 -1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9008 3.4923 -2.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6425 4.5990 0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3993 4.3243 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3554 2.9037 0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9201 6.2324 -0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7545 9.2878 0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3496 9.0091 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7945 7.9084 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3033 9.2327 -2.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8676 8.2953 -2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5645 7.5646 -2.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0154 10.7928 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3276 10.4238 -1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4122 11.4485 -2.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0677 11.7654 -0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6649 10.1395 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3221 9.4458 -2.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4977 7.8444 -0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3112 8.2949 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8412 10.1784 3.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3123 7.2552 3.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7504 8.5340 4.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3686 7.9397 3.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 8.2268 4.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0075 9.5681 3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 8.9076 4.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1603 10.0596 4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4865 6.3998 2.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 7.0069 2.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9116 7.9156 1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 5.5839 3.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3944 4.8033 6.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6266 4.4648 6.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1525 2.6442 5.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 3.8416 4.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5249 2.9295 2.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 2.4051 2.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2016 5.0342 1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 4.8890 2.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 4.2252 1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8878 3.5870 -0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5926 4.0074 -1.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1889 2.3332 -1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4962 3.3592 -3.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 0.5913 -0.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 0.7020 -2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7043 0.7062 -2.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3313 1.3901 -3.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4707 4.5975 -5.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7295 3.2590 -7.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9189 3.5266 -5.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0707 4.2320 -4.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8247 3.2786 -5.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6268 2.6122 -3.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 1.3916 -7.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -0.6156 -7.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6253 -1.1426 -6.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7579 -0.9000 -7.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5655 -0.9492 -9.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5344 -3.2634 -8.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4639 -4.7557 -5.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 -4.3617 -5.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7509 -6.0938 -5.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0027 -5.9459 -9.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7709 -4.8677 -7.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2266 -6.4411 -7.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8665 -6.5839 -6.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 -6.6590 -9.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 -7.5570 -9.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6933 -5.8690 -8.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8378 -9.2007 -9.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -8.9441 -9.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0654 -9.5455 -7.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3501 -9.2541 -7.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0646 -6.8473 -4.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2977 -7.8351 -5.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0778 -6.9598 -6.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5881 -10.8034 -5.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0293 -10.3846 -6.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1095 -9.8620 -5.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6851 -8.7415 -3.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1407 -8.6835 -1.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9381 -7.5916 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5194 -7.3770 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 -6.6080 -1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 -9.4040 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -12.1468 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1945 -11.1046 0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5427 -13.0157 3.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 1 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 6 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 6 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 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 50 1 1 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53 56 1 1 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 63 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 68 69 2 0 0 0 0 68 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 73 1 0 0 0 0 71 74 1 1 0 0 0 74 75 2 0 0 0 0 74 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 2 0 0 0 0 79 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 1 0 0 0 0 84 85 2 0 0 0 0 84 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 1 0 0 0 0 87 90 1 6 0 0 0 90 91 2 0 0 0 0 90 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 1 0 0 0 0 93 96 1 6 0 0 0 96 97 2 0 0 0 0 96 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 2 0 0 0 0 101103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 104106 1 0 0 0 0 104107 1 6 0 0 0 107108 2 0 0 0 0 107109 1 0 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110112 1 0 0 0 0 110113 1 1 0 0 0 113114 2 0 0 0 0 113115 1 0 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116118 1 0 0 0 0 116119 1 1 0 0 0 119120 2 0 0 0 0 119121 1 0 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 122124 1 0 0 0 0 124125 2 0 0 0 0 124126 1 0 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 128129 2 0 0 0 0 128130 1 0 0 0 0 24 20 1 0 0 0 0 43 39 1 0 0 0 0 62 58 1 0 0 0 0 1131 1 0 0 0 0 1132 1 0 0 0 0 1133 1 0 0 0 0 2134 1 0 0 0 0 2135 1 0 0 0 0 3136 1 0 0 0 0 3137 1 0 0 0 0 4138 1 0 0 0 0 4139 1 0 0 0 0 5140 1 0 0 0 0 5141 1 0 0 0 0 6142 1 0 0 0 0 6143 1 0 0 0 0 7144 1 0 0 0 0 7145 1 0 0 0 0 8146 1 0 0 0 0 8147 1 0 0 0 0 9148 1 0 0 0 0 9149 1 0 0 0 0 10150 1 0 0 0 0 10151 1 0 0 0 0 11152 1 0 0 0 0 11153 1 0 0 0 0 14154 1 0 0 0 0 16155 1 0 0 0 0 16156 1 0 0 0 0 16157 1 0 0 0 0 17158 1 0 0 0 0 17159 1 0 0 0 0 17160 1 0 0 0 0 21161 1 0 0 0 0 21162 1 0 0 0 0 22163 1 0 0 0 0 22164 1 0 0 0 0 23165 1 0 0 0 0 23166 1 0 0 0 0 24167 1 6 0 0 0 27168 1 0 0 0 0 29169 1 0 0 0 0 29170 1 0 0 0 0 29171 1 0 0 0 0 30172 1 0 0 0 0 30173 1 0 0 0 0 30174 1 0 0 0 0 33175 1 0 0 0 0 35176 1 0 0 0 0 35177 1 0 0 0 0 35178 1 0 0 0 0 36179 1 0 0 0 0 36180 1 0 0 0 0 36181 1 0 0 0 0 40182 1 0 0 0 0 40183 1 0 0 0 0 41184 1 0 0 0 0 41185 1 0 0 0 0 42186 1 0 0 0 0 42187 1 0 0 0 0 43188 1 6 0 0 0 46189 1 0 0 0 0 48190 1 0 0 0 0 48191 1 0 0 0 0 48192 1 0 0 0 0 49193 1 0 0 0 0 49194 1 0 0 0 0 49195 1 0 0 0 0 52196 1 0 0 0 0 54197 1 0 0 0 0 54198 1 0 0 0 0 54199 1 0 0 0 0 55200 1 0 0 0 0 55201 1 0 0 0 0 55202 1 0 0 0 0 59203 1 0 0 0 0 59204 1 0 0 0 0 60205 1 0 0 0 0 60206 1 0 0 0 0 61207 1 0 0 0 0 61208 1 0 0 0 0 62209 1 6 0 0 0 65210 1 0 0 0 0 66211 1 1 0 0 0 67212 1 0 0 0 0 67213 1 0 0 0 0 67214 1 0 0 0 0 70215 1 0 0 0 0 72216 1 0 0 0 0 72217 1 0 0 0 0 72218 1 0 0 0 0 73219 1 0 0 0 0 73220 1 0 0 0 0 73221 1 0 0 0 0 76222 1 0 0 0 0 77223 1 0 0 0 0 77224 1 0 0 0 0 78225 1 0 0 0 0 78226 1 0 0 0 0 81227 1 0 0 0 0 82228 1 1 0 0 0 83229 1 0 0 0 0 83230 1 0 0 0 0 83231 1 0 0 0 0 86232 1 0 0 0 0 88233 1 0 0 0 0 88234 1 0 0 0 0 88235 1 0 0 0 0 89236 1 0 0 0 0 89237 1 0 0 0 0 89238 1 0 0 0 0 92239 1 0 0 0 0 94240 1 0 0 0 0 94241 1 0 0 0 0 94242 1 0 0 0 0 95243 1 0 0 0 0 95244 1 0 0 0 0 95245 1 0 0 0 0 98246 1 0 0 0 0 99247 1 0 0 0 0 99248 1 0 0 0 0 100249 1 0 0 0 0 100250 1 0 0 0 0 103251 1 0 0 0 0 105252 1 0 0 0 0 105253 1 0 0 0 0 105254 1 0 0 0 0 106255 1 0 0 0 0 106256 1 0 0 0 0 106257 1 0 0 0 0 109258 1 0 0 0 0 111259 1 0 0 0 0 111260 1 0 0 0 0 111261 1 0 0 0 0 112262 1 0 0 0 0 112263 1 0 0 0 0 112264 1 0 0 0 0 115265 1 0 0 0 0 117266 1 0 0 0 0 117267 1 0 0 0 0 117268 1 0 0 0 0 118269 1 0 0 0 0 118270 1 0 0 0 0 118271 1 0 0 0 0 121272 1 0 0 0 0 122273 1 6 0 0 0 123274 1 0 0 0 0 123275 1 0 0 0 0 123276 1 0 0 0 0 126277 1 0 0 0 0 127278 1 0 0 0 0 127279 1 0 0 0 0 130280 1 0 0 0 0 M END > <DATABASE_ID> NP0020563 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])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@@]2([H])N(C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]3([H])N(C(=O)C(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H])(C([H])([H])[H])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])C([H])([H])C1([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])[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] > <INCHI_IDENTIFIER> InChI=1S/C88H150N20O22/c1-27-28-29-30-31-32-33-34-35-42-58(110)96-86(21,22)75(128)107-48-37-40-55(107)65(118)99-84(17,18)73(126)105-88(25,26)77(130)108-49-38-41-56(108)66(119)100-83(15,16)72(125)104-87(23,24)76(129)106-47-36-39-54(106)64(117)93-53(4)63(116)97-78(5,6)67(120)89-45-43-57(109)92-52(3)62(115)98-82(13,14)71(124)101-79(7,8)68(121)90-46-44-59(111)95-81(11,12)70(123)103-85(19,20)74(127)102-80(9,10)69(122)94-51(2)61(114)91-50-60(112)113/h51-56H,27-50H2,1-26H3,(H,89,120)(H,90,121)(H,91,114)(H,92,109)(H,93,117)(H,94,122)(H,95,111)(H,96,110)(H,97,116)(H,98,115)(H,99,118)(H,100,119)(H,101,124)(H,102,127)(H,103,123)(H,104,125)(H,105,126)(H,112,113)/t51-,52-,53-,54-,55-,56-/m0/s1 > <INCHI_KEY> SVILHBHLAGERMJ-FMBXVYBVSA-N > <FORMULA> C88H150N20O22 > <MOLECULAR_WEIGHT> 1840.286 > <EXACT_MASS> 1839.12335655 > <JCHEM_ACCEPTOR_COUNT> 22 > <JCHEM_ATOM_COUNT> 280 > <JCHEM_AVERAGE_POLARIZABILITY> 197.84653576899552 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 18 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 2-[(2S)-2-[2-(2-{2-[3-(2-{2-[(2S)-2-(3-{2-[(2S)-2-{[(2S)-1-[2-(2-{[(2S)-1-[2-(2-{[(2S)-1-(2-dodecanamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)-2-methylpropanoyl]pyrrolidin-2-yl]formamido}-2-methylpropanamido)-2-methylpropanoyl]pyrrolidin-2-yl]formamido}propanamido]-2-methylpropanamido}propanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)-2-methylpropanamido]propanamido]acetic acid > <JCHEM_LOGP> -1.9059176043333363 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 3 > <JCHEM_PHYSIOLOGICAL_CHARGE> -1 > <JCHEM_PKA> 11.393855622718826 > <JCHEM_PKA_STRONGEST_ACIDIC> 3.907487972024138 > <JCHEM_POLAR_SURFACE_AREA> 592.9299999999998 > <JCHEM_REFRACTIVITY> 475.45830000000007 > <JCHEM_ROTATABLE_BOND_COUNT> 49 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_TRADITIONAL_IUPAC> [(2S)-2-[2-(2-{2-[3-(2-{2-[(2S)-2-(3-{2-[(2S)-2-{[(2S)-1-[2-(2-{[(2S)-1-[2-(2-{[(2S)-1-(2-dodecanamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)-2-methylpropanoyl]pyrrolidin-2-yl]formamido}-2-methylpropanamido)-2-methylpropanoyl]pyrrolidin-2-yl]formamido}propanamido]-2-methylpropanamido}propanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)-2-methylpropanamido]propanamido]acetic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0020563 (Myropeptin A2)RDKit 3D 280282 0 0 0 0 0 0 0 0999 V2000 7.3505 -0.4673 -1.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3693 -1.5502 -1.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0604 -2.7504 -0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8004 -2.3834 0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8932 -1.8101 1.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7828 -2.7496 2.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9636 -1.9997 3.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7805 -2.7647 3.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0827 -1.8426 4.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8546 -2.4524 5.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1899 -1.4672 6.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0694 -2.0713 6.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2057 -3.2966 6.5567 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0374 -1.2549 7.3056 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3087 -1.6763 7.8610 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1402 -2.4085 6.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9381 -2.7009 8.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9494 -0.5309 8.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1633 0.1217 9.3783 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2393 -0.0428 8.5014 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7516 1.0503 9.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2121 0.7667 9.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5950 0.1366 8.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3311 -0.3718 7.6119 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1509 0.3805 6.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0052 0.1992 5.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0668 1.2482 6.0979 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7907 2.0022 4.9090 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5846 2.9217 5.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 2.8596 4.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2663 1.1126 3.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1023 -0.0652 4.0898 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0111 1.6543 2.5435 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4983 1.0059 1.3440 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0905 0.4625 1.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 2.0354 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -0.1365 0.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5197 -0.9893 1.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7268 -0.4680 -0.4049 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 -1.7423 -0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3418 -1.4625 -1.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4885 -0.5217 -2.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 0.3360 -1.6124 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6552 1.5145 -1.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6704 1.2424 -0.5932 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4649 2.8266 -1.7133 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3253 3.8912 -1.3001 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7306 3.8259 -1.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4045 3.8835 0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7362 5.2438 -1.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8411 5.2834 -2.4507 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1504 6.3815 -0.8822 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6602 7.7356 -1.0115 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4449 8.5831 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8525 8.1927 -2.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2057 7.7572 -0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7012 6.6169 -0.4057 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3629 8.8767 -0.6873 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6412 10.2625 -0.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3467 10.9408 -1.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3377 9.8513 -1.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9197 8.8279 -0.3974 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5835 9.2985 0.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4042 10.0174 1.5735 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 8.9152 1.5056 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1887 9.2408 2.8159 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7044 8.1671 3.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 9.0338 2.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2491 9.4053 1.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3177 8.4406 3.8788 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 8.0719 4.0334 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6581 9.2008 4.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0977 7.2942 2.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8016 7.0881 5.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3423 7.4169 6.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3648 5.8304 4.9788 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5651 4.7373 5.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9421 3.4943 4.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6891 3.4015 4.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6005 3.6162 4.7985 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6655 3.1113 2.7725 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 3.0485 2.0455 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7228 4.4363 2.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6365 2.6701 0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6696 2.0181 0.3902 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7004 3.0345 -0.3972 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0139 2.5902 -1.7085 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4220 3.1039 -2.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0174 1.1055 -1.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1387 3.2004 -2.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7201 4.3470 -2.6294 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8707 2.4084 -3.8744 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1192 2.5819 -5.1182 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8258 3.5438 -5.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2047 3.2333 -4.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8154 1.2651 -5.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2812 0.3626 -4.8697 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0941 0.7858 -6.9594 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7571 -0.6237 -7.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 -1.2897 -8.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -2.7509 -7.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5883 -3.1989 -7.3391 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6965 -3.6470 -8.1372 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 -5.0360 -7.7853 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4414 -5.0767 -6.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 -5.6366 -8.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5554 -5.8319 -8.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4454 -5.7905 -9.6715 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 -6.6183 -7.6191 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 -7.4844 -8.0223 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2715 -6.7963 -9.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -8.8377 -8.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3176 -7.5687 -6.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1891 -6.7340 -5.8972 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3069 -8.5545 -6.7996 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3007 -8.7062 -5.7713 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2344 -7.5248 -5.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 -9.9937 -5.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7071 -8.7049 -4.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5161 -8.6840 -4.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6756 -8.7299 -3.3305 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2299 -8.7264 -1.9577 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8377 -7.4678 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8189 -9.8970 -1.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5629 -10.7398 -1.7914 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5356 -10.0608 0.1492 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1028 -11.1891 0.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 -11.1844 2.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9794 -10.2656 2.7264 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1481 -12.2064 3.1339 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8178 -0.0760 -0.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1848 -0.8227 -2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8744 0.4161 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6514 -1.1355 -0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7563 -1.8468 -2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8516 -3.0782 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3548 -3.5919 -0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2995 -3.2860 1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5937 -1.6717 0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4845 -0.8206 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5361 -1.6023 2.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2459 -3.6298 2.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1909 -3.1072 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 -1.0516 2.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6288 -1.7894 4.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1218 -3.6842 4.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 -3.1250 2.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7905 -1.6683 5.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9006 -0.8803 4.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1896 -3.3111 5.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1179 -2.7958 4.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9277 -1.2619 6.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 -0.5410 5.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7907 -0.2156 7.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4782 -3.2064 6.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5446 -1.8671 6.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9058 -3.0795 7.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -2.1658 9.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8303 -3.3019 9.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 -3.3404 8.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2486 1.0261 10.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5546 1.9950 8.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4533 0.1371 10.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7423 1.7626 9.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3205 -0.7108 8.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0920 0.8826 7.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4526 -1.4179 7.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 1.3228 6.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 2.3851 5.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5735 3.7675 4.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8281 3.3323 6.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6149 2.2585 3.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4905 3.1620 5.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6365 3.8093 3.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2124 2.7130 2.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5308 0.0620 1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3552 -0.3124 2.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5897 1.2839 2.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7928 1.7068 -0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7544 2.8755 0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0853 2.5410 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5825 -2.4525 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8782 -2.1125 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2088 -0.9362 -1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 -2.3759 -2.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1041 0.0005 -3.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7563 -1.2206 -3.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 0.5258 -1.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6677 3.0638 -2.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3634 3.2743 -1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1296 4.8876 -1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9008 3.4923 -2.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6425 4.5990 0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3993 4.3243 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3554 2.9037 0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9201 6.2324 -0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7545 9.2878 0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3496 9.0091 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7945 7.9084 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3033 9.2327 -2.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8676 8.2953 -2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5645 7.5646 -2.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0154 10.7928 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3276 10.4238 -1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4122 11.4485 -2.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0677 11.7654 -0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6649 10.1395 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3221 9.4458 -2.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4977 7.8444 -0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3112 8.2949 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8412 10.1784 3.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3123 7.2552 3.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7504 8.5340 4.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3686 7.9397 3.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 8.2268 4.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0075 9.5681 3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 8.9076 4.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1603 10.0596 4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4865 6.3998 2.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 7.0069 2.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9116 7.9156 1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 5.5839 3.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3944 4.8033 6.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6266 4.4648 6.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1525 2.6442 5.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 3.8416 4.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5249 2.9295 2.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 2.4051 2.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2016 5.0342 1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 4.8890 2.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 4.2252 1.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8878 3.5870 -0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5926 4.0074 -1.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1889 2.3332 -1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4962 3.3592 -3.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 0.5913 -0.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 0.7020 -2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7043 0.7062 -2.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3313 1.3901 -3.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4707 4.5975 -5.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7295 3.2590 -7.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9189 3.5266 -5.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0707 4.2320 -4.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8247 3.2786 -5.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6268 2.6122 -3.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 1.3916 -7.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -0.6156 -7.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6253 -1.1426 -6.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7579 -0.9000 -7.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5655 -0.9492 -9.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5344 -3.2634 -8.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4639 -4.7557 -5.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 -4.3617 -5.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7509 -6.0938 -5.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0027 -5.9459 -9.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7709 -4.8677 -7.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2266 -6.4411 -7.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8665 -6.5839 -6.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6661 -6.6590 -9.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 -7.5570 -9.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6933 -5.8690 -8.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8378 -9.2007 -9.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -8.9441 -9.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0654 -9.5455 -7.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3501 -9.2541 -7.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0646 -6.8473 -4.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2977 -7.8351 -5.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0778 -6.9598 -6.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5881 -10.8034 -5.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0293 -10.3846 -6.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1095 -9.8620 -5.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6851 -8.7415 -3.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1407 -8.6835 -1.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9381 -7.5916 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5194 -7.3770 -0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 -6.6080 -1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 -9.4040 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -12.1468 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1945 -11.1046 0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5427 -13.0157 3.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 1 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 28 31 1 6 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 6 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 44 45 2 0 44 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 47 50 1 1 50 51 2 0 50 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 56 1 1 56 57 2 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 2 0 63 65 1 0 65 66 1 0 66 67 1 0 66 68 1 0 68 69 2 0 68 70 1 0 70 71 1 0 71 72 1 0 71 73 1 0 71 74 1 1 74 75 2 0 74 76 1 0 76 77 1 0 77 78 1 0 78 79 1 0 79 80 2 0 79 81 1 0 81 82 1 0 82 83 1 0 82 84 1 0 84 85 2 0 84 86 1 0 86 87 1 0 87 88 1 0 87 89 1 0 87 90 1 6 90 91 2 0 90 92 1 0 92 93 1 0 93 94 1 0 93 95 1 0 93 96 1 6 96 97 2 0 96 98 1 0 98 99 1 0 99100 1 0 100101 1 0 101102 2 0 101103 1 0 103104 1 0 104105 1 0 104106 1 0 104107 1 6 107108 2 0 107109 1 0 109110 1 0 110111 1 0 110112 1 0 110113 1 1 113114 2 0 113115 1 0 115116 1 0 116117 1 0 116118 1 0 116119 1 1 119120 2 0 119121 1 0 121122 1 0 122123 1 0 122124 1 0 124125 2 0 124126 1 0 126127 1 0 127128 1 0 128129 2 0 128130 1 0 24 20 1 0 43 39 1 0 62 58 1 0 1131 1 0 1132 1 0 1133 1 0 2134 1 0 2135 1 0 3136 1 0 3137 1 0 4138 1 0 4139 1 0 5140 1 0 5141 1 0 6142 1 0 6143 1 0 7144 1 0 7145 1 0 8146 1 0 8147 1 0 9148 1 0 9149 1 0 10150 1 0 10151 1 0 11152 1 0 11153 1 0 14154 1 0 16155 1 0 16156 1 0 16157 1 0 17158 1 0 17159 1 0 17160 1 0 21161 1 0 21162 1 0 22163 1 0 22164 1 0 23165 1 0 23166 1 0 24167 1 6 27168 1 0 29169 1 0 29170 1 0 29171 1 0 30172 1 0 30173 1 0 30174 1 0 33175 1 0 35176 1 0 35177 1 0 35178 1 0 36179 1 0 36180 1 0 36181 1 0 40182 1 0 40183 1 0 41184 1 0 41185 1 0 42186 1 0 42187 1 0 43188 1 6 46189 1 0 48190 1 0 48191 1 0 48192 1 0 49193 1 0 49194 1 0 49195 1 0 52196 1 0 54197 1 0 54198 1 0 54199 1 0 55200 1 0 55201 1 0 55202 1 0 59203 1 0 59204 1 0 60205 1 0 60206 1 0 61207 1 0 61208 1 0 62209 1 6 65210 1 0 66211 1 1 67212 1 0 67213 1 0 67214 1 0 70215 1 0 72216 1 0 72217 1 0 72218 1 0 73219 1 0 73220 1 0 73221 1 0 76222 1 0 77223 1 0 77224 1 0 78225 1 0 78226 1 0 81227 1 0 82228 1 1 83229 1 0 83230 1 0 83231 1 0 86232 1 0 88233 1 0 88234 1 0 88235 1 0 89236 1 0 89237 1 0 89238 1 0 92239 1 0 94240 1 0 94241 1 0 94242 1 0 95243 1 0 95244 1 0 95245 1 0 98246 1 0 99247 1 0 99248 1 0 100249 1 0 100250 1 0 103251 1 0 105252 1 0 105253 1 0 105254 1 0 106255 1 0 106256 1 0 106257 1 0 109258 1 0 111259 1 0 111260 1 0 111261 1 0 112262 1 0 112263 1 0 112264 1 0 115265 1 0 117266 1 0 117267 1 0 117268 1 0 118269 1 0 118270 1 0 118271 1 0 121272 1 0 122273 1 6 123274 1 0 123275 1 0 123276 1 0 126277 1 0 127278 1 0 127279 1 0 130280 1 0 M END PDB for NP0020563 (Myropeptin A2)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 7.351 -0.467 -1.470 0.00 0.00 C+0 HETATM 2 C UNK 0 6.369 -1.550 -1.159 0.00 0.00 C+0 HETATM 3 C UNK 0 7.060 -2.750 -0.606 0.00 0.00 C+0 HETATM 4 C UNK 0 7.800 -2.383 0.651 0.00 0.00 C+0 HETATM 5 C UNK 0 6.893 -1.810 1.692 0.00 0.00 C+0 HETATM 6 C UNK 0 5.783 -2.750 2.113 0.00 0.00 C+0 HETATM 7 C UNK 0 4.964 -2.000 3.122 0.00 0.00 C+0 HETATM 8 C UNK 0 3.781 -2.765 3.666 0.00 0.00 C+0 HETATM 9 C UNK 0 3.083 -1.843 4.624 0.00 0.00 C+0 HETATM 10 C UNK 0 1.855 -2.452 5.222 0.00 0.00 C+0 HETATM 11 C UNK 0 1.190 -1.467 6.141 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.069 -2.071 6.686 0.00 0.00 C+0 HETATM 13 O UNK 0 -0.206 -3.297 6.557 0.00 0.00 O+0 HETATM 14 N UNK 0 -1.037 -1.255 7.306 0.00 0.00 N+0 HETATM 15 C UNK 0 -2.309 -1.676 7.861 0.00 0.00 C+0 HETATM 16 C UNK 0 -3.140 -2.409 6.887 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.938 -2.701 8.973 0.00 0.00 C+0 HETATM 18 C UNK 0 -2.949 -0.531 8.567 0.00 0.00 C+0 HETATM 19 O UNK 0 -2.163 0.122 9.378 0.00 0.00 O+0 HETATM 20 N UNK 0 -4.239 -0.043 8.501 0.00 0.00 N+0 HETATM 21 C UNK 0 -4.752 1.050 9.355 0.00 0.00 C+0 HETATM 22 C UNK 0 -6.212 0.767 9.517 0.00 0.00 C+0 HETATM 23 C UNK 0 -6.595 0.137 8.220 0.00 0.00 C+0 HETATM 24 C UNK 0 -5.331 -0.372 7.612 0.00 0.00 C+0 HETATM 25 C UNK 0 -5.151 0.381 6.315 0.00 0.00 C+0 HETATM 26 O UNK 0 -6.005 0.199 5.430 0.00 0.00 O+0 HETATM 27 N UNK 0 -4.067 1.248 6.098 0.00 0.00 N+0 HETATM 28 C UNK 0 -3.791 2.002 4.909 0.00 0.00 C+0 HETATM 29 C UNK 0 -2.585 2.922 5.254 0.00 0.00 C+0 HETATM 30 C UNK 0 -4.916 2.860 4.483 0.00 0.00 C+0 HETATM 31 C UNK 0 -3.266 1.113 3.784 0.00 0.00 C+0 HETATM 32 O UNK 0 -3.102 -0.065 4.090 0.00 0.00 O+0 HETATM 33 N UNK 0 -3.011 1.654 2.543 0.00 0.00 N+0 HETATM 34 C UNK 0 -2.498 1.006 1.344 0.00 0.00 C+0 HETATM 35 C UNK 0 -1.091 0.463 1.888 0.00 0.00 C+0 HETATM 36 C UNK 0 -2.038 2.035 0.362 0.00 0.00 C+0 HETATM 37 C UNK 0 -3.244 -0.137 0.905 0.00 0.00 C+0 HETATM 38 O UNK 0 -3.520 -0.989 1.843 0.00 0.00 O+0 HETATM 39 N UNK 0 -3.727 -0.468 -0.405 0.00 0.00 N+0 HETATM 40 C UNK 0 -4.358 -1.742 -0.650 0.00 0.00 C+0 HETATM 41 C UNK 0 -5.342 -1.462 -1.756 0.00 0.00 C+0 HETATM 42 C UNK 0 -4.489 -0.522 -2.624 0.00 0.00 C+0 HETATM 43 C UNK 0 -3.775 0.336 -1.612 0.00 0.00 C+0 HETATM 44 C UNK 0 -4.655 1.515 -1.310 0.00 0.00 C+0 HETATM 45 O UNK 0 -5.670 1.242 -0.593 0.00 0.00 O+0 HETATM 46 N UNK 0 -4.465 2.827 -1.713 0.00 0.00 N+0 HETATM 47 C UNK 0 -5.325 3.891 -1.300 0.00 0.00 C+0 HETATM 48 C UNK 0 -6.731 3.826 -1.758 0.00 0.00 C+0 HETATM 49 C UNK 0 -5.404 3.884 0.249 0.00 0.00 C+0 HETATM 50 C UNK 0 -4.736 5.244 -1.571 0.00 0.00 C+0 HETATM 51 O UNK 0 -3.841 5.283 -2.451 0.00 0.00 O+0 HETATM 52 N UNK 0 -5.150 6.381 -0.882 0.00 0.00 N+0 HETATM 53 C UNK 0 -4.660 7.736 -1.012 0.00 0.00 C+0 HETATM 54 C UNK 0 -5.445 8.583 -0.024 0.00 0.00 C+0 HETATM 55 C UNK 0 -4.853 8.193 -2.421 0.00 0.00 C+0 HETATM 56 C UNK 0 -3.206 7.757 -0.696 0.00 0.00 C+0 HETATM 57 O UNK 0 -2.701 6.617 -0.406 0.00 0.00 O+0 HETATM 58 N UNK 0 -2.363 8.877 -0.687 0.00 0.00 N+0 HETATM 59 C UNK 0 -2.641 10.262 -0.941 0.00 0.00 C+0 HETATM 60 C UNK 0 -1.347 10.941 -1.301 0.00 0.00 C+0 HETATM 61 C UNK 0 -0.338 9.851 -1.377 0.00 0.00 C+0 HETATM 62 C UNK 0 -0.920 8.828 -0.397 0.00 0.00 C+0 HETATM 63 C UNK 0 -0.584 9.299 0.961 0.00 0.00 C+0 HETATM 64 O UNK 0 -1.404 10.017 1.573 0.00 0.00 O+0 HETATM 65 N UNK 0 0.644 8.915 1.506 0.00 0.00 N+0 HETATM 66 C UNK 0 1.189 9.241 2.816 0.00 0.00 C+0 HETATM 67 C UNK 0 0.704 8.167 3.818 0.00 0.00 C+0 HETATM 68 C UNK 0 2.683 9.034 2.791 0.00 0.00 C+0 HETATM 69 O UNK 0 3.249 9.405 1.746 0.00 0.00 O+0 HETATM 70 N UNK 0 3.318 8.441 3.879 0.00 0.00 N+0 HETATM 71 C UNK 0 4.700 8.072 4.033 0.00 0.00 C+0 HETATM 72 C UNK 0 5.658 9.201 4.133 0.00 0.00 C+0 HETATM 73 C UNK 0 5.098 7.294 2.765 0.00 0.00 C+0 HETATM 74 C UNK 0 4.802 7.088 5.171 0.00 0.00 C+0 HETATM 75 O UNK 0 4.342 7.417 6.291 0.00 0.00 O+0 HETATM 76 N UNK 0 5.365 5.830 4.979 0.00 0.00 N+0 HETATM 77 C UNK 0 5.565 4.737 5.899 0.00 0.00 C+0 HETATM 78 C UNK 0 5.942 3.494 4.954 0.00 0.00 C+0 HETATM 79 C UNK 0 4.689 3.401 4.153 0.00 0.00 C+0 HETATM 80 O UNK 0 3.600 3.616 4.798 0.00 0.00 O+0 HETATM 81 N UNK 0 4.665 3.111 2.773 0.00 0.00 N+0 HETATM 82 C UNK 0 3.397 3.049 2.046 0.00 0.00 C+0 HETATM 83 C UNK 0 2.723 4.436 2.003 0.00 0.00 C+0 HETATM 84 C UNK 0 3.636 2.670 0.662 0.00 0.00 C+0 HETATM 85 O UNK 0 4.670 2.018 0.390 0.00 0.00 O+0 HETATM 86 N UNK 0 2.700 3.034 -0.397 0.00 0.00 N+0 HETATM 87 C UNK 0 3.014 2.590 -1.708 0.00 0.00 C+0 HETATM 88 C UNK 0 4.422 3.104 -2.083 0.00 0.00 C+0 HETATM 89 C UNK 0 3.017 1.105 -1.843 0.00 0.00 C+0 HETATM 90 C UNK 0 2.139 3.200 -2.780 0.00 0.00 C+0 HETATM 91 O UNK 0 1.720 4.347 -2.629 0.00 0.00 O+0 HETATM 92 N UNK 0 1.871 2.408 -3.874 0.00 0.00 N+0 HETATM 93 C UNK 0 1.119 2.582 -5.118 0.00 0.00 C+0 HETATM 94 C UNK 0 1.826 3.544 -5.988 0.00 0.00 C+0 HETATM 95 C UNK 0 -0.205 3.233 -4.667 0.00 0.00 C+0 HETATM 96 C UNK 0 0.815 1.265 -5.612 0.00 0.00 C+0 HETATM 97 O UNK 0 0.281 0.363 -4.870 0.00 0.00 O+0 HETATM 98 N UNK 0 1.094 0.786 -6.959 0.00 0.00 N+0 HETATM 99 C UNK 0 0.757 -0.624 -7.114 0.00 0.00 C+0 HETATM 100 C UNK 0 1.768 -1.290 -8.080 0.00 0.00 C+0 HETATM 101 C UNK 0 1.636 -2.751 -7.838 0.00 0.00 C+0 HETATM 102 O UNK 0 0.588 -3.199 -7.339 0.00 0.00 O+0 HETATM 103 N UNK 0 2.696 -3.647 -8.137 0.00 0.00 N+0 HETATM 104 C UNK 0 2.598 -5.036 -7.785 0.00 0.00 C+0 HETATM 105 C UNK 0 2.441 -5.077 -6.261 0.00 0.00 C+0 HETATM 106 C UNK 0 3.981 -5.637 -8.059 0.00 0.00 C+0 HETATM 107 C UNK 0 1.555 -5.832 -8.439 0.00 0.00 C+0 HETATM 108 O UNK 0 1.445 -5.790 -9.672 0.00 0.00 O+0 HETATM 109 N UNK 0 0.705 -6.618 -7.619 0.00 0.00 N+0 HETATM 110 C UNK 0 -0.348 -7.484 -8.022 0.00 0.00 C+0 HETATM 111 C UNK 0 -1.272 -6.796 -9.068 0.00 0.00 C+0 HETATM 112 C UNK 0 -0.030 -8.838 -8.465 0.00 0.00 C+0 HETATM 113 C UNK 0 -1.318 -7.569 -6.820 0.00 0.00 C+0 HETATM 114 O UNK 0 -1.189 -6.734 -5.897 0.00 0.00 O+0 HETATM 115 N UNK 0 -2.307 -8.555 -6.800 0.00 0.00 N+0 HETATM 116 C UNK 0 -3.301 -8.706 -5.771 0.00 0.00 C+0 HETATM 117 C UNK 0 -4.234 -7.525 -5.824 0.00 0.00 C+0 HETATM 118 C UNK 0 -4.070 -9.994 -5.933 0.00 0.00 C+0 HETATM 119 C UNK 0 -2.707 -8.705 -4.380 0.00 0.00 C+0 HETATM 120 O UNK 0 -1.516 -8.684 -4.200 0.00 0.00 O+0 HETATM 121 N UNK 0 -3.676 -8.730 -3.330 0.00 0.00 N+0 HETATM 122 C UNK 0 -3.230 -8.726 -1.958 0.00 0.00 C+0 HETATM 123 C UNK 0 -3.838 -7.468 -1.317 0.00 0.00 C+0 HETATM 124 C UNK 0 -3.819 -9.897 -1.211 0.00 0.00 C+0 HETATM 125 O UNK 0 -4.563 -10.740 -1.791 0.00 0.00 O+0 HETATM 126 N UNK 0 -3.536 -10.061 0.149 0.00 0.00 N+0 HETATM 127 C UNK 0 -4.103 -11.189 0.855 0.00 0.00 C+0 HETATM 128 C UNK 0 -3.702 -11.184 2.301 0.00 0.00 C+0 HETATM 129 O UNK 0 -2.979 -10.266 2.726 0.00 0.00 O+0 HETATM 130 O UNK 0 -4.148 -12.206 3.134 0.00 0.00 O+0 HETATM 131 H UNK 0 7.818 -0.076 -0.554 0.00 0.00 H+0 HETATM 132 H UNK 0 8.185 -0.823 -2.110 0.00 0.00 H+0 HETATM 133 H UNK 0 6.874 0.416 -1.959 0.00 0.00 H+0 HETATM 134 H UNK 0 5.651 -1.135 -0.406 0.00 0.00 H+0 HETATM 135 H UNK 0 5.756 -1.847 -2.043 0.00 0.00 H+0 HETATM 136 H UNK 0 7.852 -3.078 -1.335 0.00 0.00 H+0 HETATM 137 H UNK 0 6.355 -3.592 -0.496 0.00 0.00 H+0 HETATM 138 H UNK 0 8.300 -3.286 1.098 0.00 0.00 H+0 HETATM 139 H UNK 0 8.594 -1.672 0.379 0.00 0.00 H+0 HETATM 140 H UNK 0 6.484 -0.821 1.407 0.00 0.00 H+0 HETATM 141 H UNK 0 7.536 -1.602 2.596 0.00 0.00 H+0 HETATM 142 H UNK 0 6.246 -3.630 2.599 0.00 0.00 H+0 HETATM 143 H UNK 0 5.191 -3.107 1.274 0.00 0.00 H+0 HETATM 144 H UNK 0 4.566 -1.052 2.708 0.00 0.00 H+0 HETATM 145 H UNK 0 5.629 -1.789 4.013 0.00 0.00 H+0 HETATM 146 H UNK 0 4.122 -3.684 4.207 0.00 0.00 H+0 HETATM 147 H UNK 0 3.143 -3.125 2.847 0.00 0.00 H+0 HETATM 148 H UNK 0 3.791 -1.668 5.476 0.00 0.00 H+0 HETATM 149 H UNK 0 2.901 -0.880 4.089 0.00 0.00 H+0 HETATM 150 H UNK 0 2.190 -3.311 5.850 0.00 0.00 H+0 HETATM 151 H UNK 0 1.118 -2.796 4.445 0.00 0.00 H+0 HETATM 152 H UNK 0 1.928 -1.262 6.959 0.00 0.00 H+0 HETATM 153 H UNK 0 0.902 -0.541 5.613 0.00 0.00 H+0 HETATM 154 H UNK 0 -0.791 -0.216 7.381 0.00 0.00 H+0 HETATM 155 H UNK 0 -2.478 -3.206 6.389 0.00 0.00 H+0 HETATM 156 H UNK 0 -3.545 -1.867 6.032 0.00 0.00 H+0 HETATM 157 H UNK 0 -3.906 -3.079 7.390 0.00 0.00 H+0 HETATM 158 H UNK 0 -1.623 -2.166 9.891 0.00 0.00 H+0 HETATM 159 H UNK 0 -2.830 -3.302 9.237 0.00 0.00 H+0 HETATM 160 H UNK 0 -1.114 -3.340 8.659 0.00 0.00 H+0 HETATM 161 H UNK 0 -4.249 1.026 10.318 0.00 0.00 H+0 HETATM 162 H UNK 0 -4.555 1.995 8.841 0.00 0.00 H+0 HETATM 163 H UNK 0 -6.453 0.137 10.402 0.00 0.00 H+0 HETATM 164 H UNK 0 -6.742 1.763 9.598 0.00 0.00 H+0 HETATM 165 H UNK 0 -7.321 -0.711 8.357 0.00 0.00 H+0 HETATM 166 H UNK 0 -7.092 0.883 7.578 0.00 0.00 H+0 HETATM 167 H UNK 0 -5.453 -1.418 7.381 0.00 0.00 H+0 HETATM 168 H UNK 0 -3.393 1.323 6.930 0.00 0.00 H+0 HETATM 169 H UNK 0 -1.638 2.385 5.171 0.00 0.00 H+0 HETATM 170 H UNK 0 -2.574 3.768 4.535 0.00 0.00 H+0 HETATM 171 H UNK 0 -2.828 3.332 6.241 0.00 0.00 H+0 HETATM 172 H UNK 0 -5.615 2.259 3.877 0.00 0.00 H+0 HETATM 173 H UNK 0 -5.490 3.162 5.387 0.00 0.00 H+0 HETATM 174 H UNK 0 -4.636 3.809 3.980 0.00 0.00 H+0 HETATM 175 H UNK 0 -3.212 2.713 2.370 0.00 0.00 H+0 HETATM 176 H UNK 0 -0.531 0.062 1.032 0.00 0.00 H+0 HETATM 177 H UNK 0 -1.355 -0.312 2.606 0.00 0.00 H+0 HETATM 178 H UNK 0 -0.590 1.284 2.400 0.00 0.00 H+0 HETATM 179 H UNK 0 -1.793 1.707 -0.627 0.00 0.00 H+0 HETATM 180 H UNK 0 -2.754 2.876 0.336 0.00 0.00 H+0 HETATM 181 H UNK 0 -1.085 2.541 0.754 0.00 0.00 H+0 HETATM 182 H UNK 0 -3.583 -2.453 -0.988 0.00 0.00 H+0 HETATM 183 H UNK 0 -4.878 -2.112 0.275 0.00 0.00 H+0 HETATM 184 H UNK 0 -6.209 -0.936 -1.308 0.00 0.00 H+0 HETATM 185 H UNK 0 -5.614 -2.376 -2.313 0.00 0.00 H+0 HETATM 186 H UNK 0 -5.104 0.001 -3.352 0.00 0.00 H+0 HETATM 187 H UNK 0 -3.756 -1.221 -3.131 0.00 0.00 H+0 HETATM 188 H UNK 0 -2.800 0.526 -1.993 0.00 0.00 H+0 HETATM 189 H UNK 0 -3.668 3.064 -2.343 0.00 0.00 H+0 HETATM 190 H UNK 0 -7.363 3.274 -1.021 0.00 0.00 H+0 HETATM 191 H UNK 0 -7.130 4.888 -1.724 0.00 0.00 H+0 HETATM 192 H UNK 0 -6.901 3.492 -2.784 0.00 0.00 H+0 HETATM 193 H UNK 0 -4.643 4.599 0.635 0.00 0.00 H+0 HETATM 194 H UNK 0 -6.399 4.324 0.572 0.00 0.00 H+0 HETATM 195 H UNK 0 -5.355 2.904 0.694 0.00 0.00 H+0 HETATM 196 H UNK 0 -5.920 6.232 -0.157 0.00 0.00 H+0 HETATM 197 H UNK 0 -4.755 9.288 0.456 0.00 0.00 H+0 HETATM 198 H UNK 0 -6.350 9.009 -0.437 0.00 0.00 H+0 HETATM 199 H UNK 0 -5.795 7.908 0.819 0.00 0.00 H+0 HETATM 200 H UNK 0 -5.303 9.233 -2.468 0.00 0.00 H+0 HETATM 201 H UNK 0 -3.868 8.295 -2.904 0.00 0.00 H+0 HETATM 202 H UNK 0 -5.564 7.565 -2.995 0.00 0.00 H+0 HETATM 203 H UNK 0 -3.015 10.793 -0.042 0.00 0.00 H+0 HETATM 204 H UNK 0 -3.328 10.424 -1.786 0.00 0.00 H+0 HETATM 205 H UNK 0 -1.412 11.448 -2.309 0.00 0.00 H+0 HETATM 206 H UNK 0 -1.068 11.765 -0.606 0.00 0.00 H+0 HETATM 207 H UNK 0 0.665 10.139 -0.999 0.00 0.00 H+0 HETATM 208 H UNK 0 -0.322 9.446 -2.408 0.00 0.00 H+0 HETATM 209 H UNK 0 -0.498 7.844 -0.637 0.00 0.00 H+0 HETATM 210 H UNK 0 1.311 8.295 0.930 0.00 0.00 H+0 HETATM 211 H UNK 0 0.841 10.178 3.166 0.00 0.00 H+0 HETATM 212 H UNK 0 1.312 7.255 3.730 0.00 0.00 H+0 HETATM 213 H UNK 0 0.750 8.534 4.851 0.00 0.00 H+0 HETATM 214 H UNK 0 -0.369 7.940 3.623 0.00 0.00 H+0 HETATM 215 H UNK 0 2.729 8.227 4.748 0.00 0.00 H+0 HETATM 216 H UNK 0 6.008 9.568 3.144 0.00 0.00 H+0 HETATM 217 H UNK 0 6.504 8.908 4.789 0.00 0.00 H+0 HETATM 218 H UNK 0 5.160 10.060 4.628 0.00 0.00 H+0 HETATM 219 H UNK 0 4.487 6.400 2.751 0.00 0.00 H+0 HETATM 220 H UNK 0 6.180 7.007 2.797 0.00 0.00 H+0 HETATM 221 H UNK 0 4.912 7.916 1.849 0.00 0.00 H+0 HETATM 222 H UNK 0 5.731 5.584 3.980 0.00 0.00 H+0 HETATM 223 H UNK 0 6.394 4.803 6.576 0.00 0.00 H+0 HETATM 224 H UNK 0 4.627 4.465 6.381 0.00 0.00 H+0 HETATM 225 H UNK 0 6.152 2.644 5.584 0.00 0.00 H+0 HETATM 226 H UNK 0 6.813 3.842 4.428 0.00 0.00 H+0 HETATM 227 H UNK 0 5.525 2.930 2.219 0.00 0.00 H+0 HETATM 228 H UNK 0 2.689 2.405 2.586 0.00 0.00 H+0 HETATM 229 H UNK 0 3.202 5.034 1.216 0.00 0.00 H+0 HETATM 230 H UNK 0 2.691 4.889 3.000 0.00 0.00 H+0 HETATM 231 H UNK 0 1.669 4.225 1.748 0.00 0.00 H+0 HETATM 232 H UNK 0 1.888 3.587 -0.156 0.00 0.00 H+0 HETATM 233 H UNK 0 4.593 4.007 -1.500 0.00 0.00 H+0 HETATM 234 H UNK 0 5.189 2.333 -1.837 0.00 0.00 H+0 HETATM 235 H UNK 0 4.496 3.359 -3.149 0.00 0.00 H+0 HETATM 236 H UNK 0 3.269 0.591 -0.877 0.00 0.00 H+0 HETATM 237 H UNK 0 1.985 0.702 -2.081 0.00 0.00 H+0 HETATM 238 H UNK 0 3.704 0.706 -2.593 0.00 0.00 H+0 HETATM 239 H UNK 0 2.331 1.390 -3.874 0.00 0.00 H+0 HETATM 240 H UNK 0 1.471 4.598 -5.830 0.00 0.00 H+0 HETATM 241 H UNK 0 1.730 3.259 -7.044 0.00 0.00 H+0 HETATM 242 H UNK 0 2.919 3.527 -5.719 0.00 0.00 H+0 HETATM 243 H UNK 0 0.071 4.232 -4.275 0.00 0.00 H+0 HETATM 244 H UNK 0 -0.825 3.279 -5.570 0.00 0.00 H+0 HETATM 245 H UNK 0 -0.627 2.612 -3.872 0.00 0.00 H+0 HETATM 246 H UNK 0 1.452 1.392 -7.654 0.00 0.00 H+0 HETATM 247 H UNK 0 -0.191 -0.616 -7.741 0.00 0.00 H+0 HETATM 248 H UNK 0 0.625 -1.143 -6.188 0.00 0.00 H+0 HETATM 249 H UNK 0 2.758 -0.900 -7.739 0.00 0.00 H+0 HETATM 250 H UNK 0 1.565 -0.949 -9.085 0.00 0.00 H+0 HETATM 251 H UNK 0 3.534 -3.263 -8.608 0.00 0.00 H+0 HETATM 252 H UNK 0 1.464 -4.756 -5.916 0.00 0.00 H+0 HETATM 253 H UNK 0 3.211 -4.362 -5.856 0.00 0.00 H+0 HETATM 254 H UNK 0 2.751 -6.094 -5.890 0.00 0.00 H+0 HETATM 255 H UNK 0 4.003 -5.946 -9.101 0.00 0.00 H+0 HETATM 256 H UNK 0 4.771 -4.868 -7.911 0.00 0.00 H+0 HETATM 257 H UNK 0 4.227 -6.441 -7.327 0.00 0.00 H+0 HETATM 258 H UNK 0 0.867 -6.584 -6.547 0.00 0.00 H+0 HETATM 259 H UNK 0 -0.666 -6.659 -9.961 0.00 0.00 H+0 HETATM 260 H UNK 0 -2.038 -7.557 -9.292 0.00 0.00 H+0 HETATM 261 H UNK 0 -1.693 -5.869 -8.673 0.00 0.00 H+0 HETATM 262 H UNK 0 -0.838 -9.201 -9.171 0.00 0.00 H+0 HETATM 263 H UNK 0 0.916 -8.944 -9.033 0.00 0.00 H+0 HETATM 264 H UNK 0 -0.065 -9.546 -7.597 0.00 0.00 H+0 HETATM 265 H UNK 0 -2.350 -9.254 -7.584 0.00 0.00 H+0 HETATM 266 H UNK 0 -4.065 -6.847 -4.946 0.00 0.00 H+0 HETATM 267 H UNK 0 -5.298 -7.835 -5.776 0.00 0.00 H+0 HETATM 268 H UNK 0 -4.078 -6.960 -6.762 0.00 0.00 H+0 HETATM 269 H UNK 0 -3.588 -10.803 -5.298 0.00 0.00 H+0 HETATM 270 H UNK 0 -4.029 -10.385 -6.959 0.00 0.00 H+0 HETATM 271 H UNK 0 -5.109 -9.862 -5.613 0.00 0.00 H+0 HETATM 272 H UNK 0 -4.685 -8.742 -3.541 0.00 0.00 H+0 HETATM 273 H UNK 0 -2.141 -8.684 -1.879 0.00 0.00 H+0 HETATM 274 H UNK 0 -4.938 -7.592 -1.387 0.00 0.00 H+0 HETATM 275 H UNK 0 -3.519 -7.377 -0.258 0.00 0.00 H+0 HETATM 276 H UNK 0 -3.546 -6.608 -1.948 0.00 0.00 H+0 HETATM 277 H UNK 0 -2.935 -9.404 0.663 0.00 0.00 H+0 HETATM 278 H UNK 0 -3.774 -12.147 0.421 0.00 0.00 H+0 HETATM 279 H UNK 0 -5.194 -11.105 0.758 0.00 0.00 H+0 HETATM 280 H UNK 0 -3.543 -13.016 3.170 0.00 0.00 H+0 CONECT 1 2 131 132 133 CONECT 2 1 3 134 135 CONECT 3 2 4 136 137 CONECT 4 3 5 138 139 CONECT 5 4 6 140 141 CONECT 6 5 7 142 143 CONECT 7 6 8 144 145 CONECT 8 7 9 146 147 CONECT 9 8 10 148 149 CONECT 10 9 11 150 151 CONECT 11 10 12 152 153 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 154 CONECT 15 14 16 17 18 CONECT 16 15 155 156 157 CONECT 17 15 158 159 160 CONECT 18 15 19 20 CONECT 19 18 CONECT 20 18 21 24 CONECT 21 20 22 161 162 CONECT 22 21 23 163 164 CONECT 23 22 24 165 166 CONECT 24 23 25 20 167 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 168 CONECT 28 27 29 30 31 CONECT 29 28 169 170 171 CONECT 30 28 172 173 174 CONECT 31 28 32 33 CONECT 32 31 CONECT 33 31 34 175 CONECT 34 33 35 36 37 CONECT 35 34 176 177 178 CONECT 36 34 179 180 181 CONECT 37 34 38 39 CONECT 38 37 CONECT 39 37 40 43 CONECT 40 39 41 182 183 CONECT 41 40 42 184 185 CONECT 42 41 43 186 187 CONECT 43 42 44 39 188 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 47 189 CONECT 47 46 48 49 50 CONECT 48 47 190 191 192 CONECT 49 47 193 194 195 CONECT 50 47 51 52 CONECT 51 50 CONECT 52 50 53 196 CONECT 53 52 54 55 56 CONECT 54 53 197 198 199 CONECT 55 53 200 201 202 CONECT 56 53 57 58 CONECT 57 56 CONECT 58 56 59 62 CONECT 59 58 60 203 204 CONECT 60 59 61 205 206 CONECT 61 60 62 207 208 CONECT 62 61 63 58 209 CONECT 63 62 64 65 CONECT 64 63 CONECT 65 63 66 210 CONECT 66 65 67 68 211 CONECT 67 66 212 213 214 CONECT 68 66 69 70 CONECT 69 68 CONECT 70 68 71 215 CONECT 71 70 72 73 74 CONECT 72 71 216 217 218 CONECT 73 71 219 220 221 CONECT 74 71 75 76 CONECT 75 74 CONECT 76 74 77 222 CONECT 77 76 78 223 224 CONECT 78 77 79 225 226 CONECT 79 78 80 81 CONECT 80 79 CONECT 81 79 82 227 CONECT 82 81 83 84 228 CONECT 83 82 229 230 231 CONECT 84 82 85 86 CONECT 85 84 CONECT 86 84 87 232 CONECT 87 86 88 89 90 CONECT 88 87 233 234 235 CONECT 89 87 236 237 238 CONECT 90 87 91 92 CONECT 91 90 CONECT 92 90 93 239 CONECT 93 92 94 95 96 CONECT 94 93 240 241 242 CONECT 95 93 243 244 245 CONECT 96 93 97 98 CONECT 97 96 CONECT 98 96 99 246 CONECT 99 98 100 247 248 CONECT 100 99 101 249 250 CONECT 101 100 102 103 CONECT 102 101 CONECT 103 101 104 251 CONECT 104 103 105 106 107 CONECT 105 104 252 253 254 CONECT 106 104 255 256 257 CONECT 107 104 108 109 CONECT 108 107 CONECT 109 107 110 258 CONECT 110 109 111 112 113 CONECT 111 110 259 260 261 CONECT 112 110 262 263 264 CONECT 113 110 114 115 CONECT 114 113 CONECT 115 113 116 265 CONECT 116 115 117 118 119 CONECT 117 116 266 267 268 CONECT 118 116 269 270 271 CONECT 119 116 120 121 CONECT 120 119 CONECT 121 119 122 272 CONECT 122 121 123 124 273 CONECT 123 122 274 275 276 CONECT 124 122 125 126 CONECT 125 124 CONECT 126 124 127 277 CONECT 127 126 128 278 279 CONECT 128 127 129 130 CONECT 129 128 CONECT 130 128 280 CONECT 131 1 CONECT 132 1 CONECT 133 1 CONECT 134 2 CONECT 135 2 CONECT 136 3 CONECT 137 3 CONECT 138 4 CONECT 139 4 CONECT 140 5 CONECT 141 5 CONECT 142 6 CONECT 143 6 CONECT 144 7 CONECT 145 7 CONECT 146 8 CONECT 147 8 CONECT 148 9 CONECT 149 9 CONECT 150 10 CONECT 151 10 CONECT 152 11 CONECT 153 11 CONECT 154 14 CONECT 155 16 CONECT 156 16 CONECT 157 16 CONECT 158 17 CONECT 159 17 CONECT 160 17 CONECT 161 21 CONECT 162 21 CONECT 163 22 CONECT 164 22 CONECT 165 23 CONECT 166 23 CONECT 167 24 CONECT 168 27 CONECT 169 29 CONECT 170 29 CONECT 171 29 CONECT 172 30 CONECT 173 30 CONECT 174 30 CONECT 175 33 CONECT 176 35 CONECT 177 35 CONECT 178 35 CONECT 179 36 CONECT 180 36 CONECT 181 36 CONECT 182 40 CONECT 183 40 CONECT 184 41 CONECT 185 41 CONECT 186 42 CONECT 187 42 CONECT 188 43 CONECT 189 46 CONECT 190 48 CONECT 191 48 CONECT 192 48 CONECT 193 49 CONECT 194 49 CONECT 195 49 CONECT 196 52 CONECT 197 54 CONECT 198 54 CONECT 199 54 CONECT 200 55 CONECT 201 55 CONECT 202 55 CONECT 203 59 CONECT 204 59 CONECT 205 60 CONECT 206 60 CONECT 207 61 CONECT 208 61 CONECT 209 62 CONECT 210 65 CONECT 211 66 CONECT 212 67 CONECT 213 67 CONECT 214 67 CONECT 215 70 CONECT 216 72 CONECT 217 72 CONECT 218 72 CONECT 219 73 CONECT 220 73 CONECT 221 73 CONECT 222 76 CONECT 223 77 CONECT 224 77 CONECT 225 78 CONECT 226 78 CONECT 227 81 CONECT 228 82 CONECT 229 83 CONECT 230 83 CONECT 231 83 CONECT 232 86 CONECT 233 88 CONECT 234 88 CONECT 235 88 CONECT 236 89 CONECT 237 89 CONECT 238 89 CONECT 239 92 CONECT 240 94 CONECT 241 94 CONECT 242 94 CONECT 243 95 CONECT 244 95 CONECT 245 95 CONECT 246 98 CONECT 247 99 CONECT 248 99 CONECT 249 100 CONECT 250 100 CONECT 251 103 CONECT 252 105 CONECT 253 105 CONECT 254 105 CONECT 255 106 CONECT 256 106 CONECT 257 106 CONECT 258 109 CONECT 259 111 CONECT 260 111 CONECT 261 111 CONECT 262 112 CONECT 263 112 CONECT 264 112 CONECT 265 115 CONECT 266 117 CONECT 267 117 CONECT 268 117 CONECT 269 118 CONECT 270 118 CONECT 271 118 CONECT 272 121 CONECT 273 122 CONECT 274 123 CONECT 275 123 CONECT 276 123 CONECT 277 126 CONECT 278 127 CONECT 279 127 CONECT 280 130 MASTER 0 0 0 0 0 0 0 0 280 0 564 0 END SMILES for NP0020563 (Myropeptin A2)[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])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@@]2([H])N(C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]3([H])N(C(=O)C(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H])(C([H])([H])[H])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])C([H])([H])C1([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])[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] INCHI for NP0020563 (Myropeptin A2)InChI=1S/C88H150N20O22/c1-27-28-29-30-31-32-33-34-35-42-58(110)96-86(21,22)75(128)107-48-37-40-55(107)65(118)99-84(17,18)73(126)105-88(25,26)77(130)108-49-38-41-56(108)66(119)100-83(15,16)72(125)104-87(23,24)76(129)106-47-36-39-54(106)64(117)93-53(4)63(116)97-78(5,6)67(120)89-45-43-57(109)92-52(3)62(115)98-82(13,14)71(124)101-79(7,8)68(121)90-46-44-59(111)95-81(11,12)70(123)103-85(19,20)74(127)102-80(9,10)69(122)94-51(2)61(114)91-50-60(112)113/h51-56H,27-50H2,1-26H3,(H,89,120)(H,90,121)(H,91,114)(H,92,109)(H,93,117)(H,94,122)(H,95,111)(H,96,110)(H,97,116)(H,98,115)(H,99,118)(H,100,119)(H,101,124)(H,102,127)(H,103,123)(H,104,125)(H,105,126)(H,112,113)/t51-,52-,53-,54-,55-,56-/m0/s1 3D Structure for NP0020563 (Myropeptin A2) | ||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
| ||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C88H150N20O22 | ||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1840.2860 Da | ||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1839.12336 Da | ||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 2-[(2S)-2-[2-(2-{2-[3-(2-{2-[(2S)-2-(3-{2-[(2S)-2-{[(2S)-1-[2-(2-{[(2S)-1-[2-(2-{[(2S)-1-(2-dodecanamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)-2-methylpropanoyl]pyrrolidin-2-yl]formamido}-2-methylpropanamido)-2-methylpropanoyl]pyrrolidin-2-yl]formamido}propanamido]-2-methylpropanamido}propanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)-2-methylpropanamido]propanamido]acetic acid | ||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | [(2S)-2-[2-(2-{2-[3-(2-{2-[(2S)-2-(3-{2-[(2S)-2-{[(2S)-1-[2-(2-{[(2S)-1-[2-(2-{[(2S)-1-(2-dodecanamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)-2-methylpropanoyl]pyrrolidin-2-yl]formamido}-2-methylpropanamido)-2-methylpropanoyl]pyrrolidin-2-yl]formamido}propanamido]-2-methylpropanamido}propanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}-2-methylpropanamido)-2-methylpropanamido]propanamido]acetic acid | ||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NCC(O)=O | ||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C88H150N20O22/c1-27-28-29-30-31-32-33-34-35-42-58(110)96-86(21,22)75(128)107-48-37-40-55(107)65(118)99-84(17,18)73(126)105-88(25,26)77(130)108-49-38-41-56(108)66(119)100-83(15,16)72(125)104-87(23,24)76(129)106-47-36-39-54(106)64(117)93-53(4)63(116)97-78(5,6)67(120)89-45-43-57(109)92-52(3)62(115)98-82(13,14)71(124)101-79(7,8)68(121)90-46-44-59(111)95-81(11,12)70(123)103-85(19,20)74(127)102-80(9,10)69(122)94-51(2)61(114)91-50-60(112)113/h51-56H,27-50H2,1-26H3,(H,89,120)(H,90,121)(H,91,114)(H,92,109)(H,93,117)(H,94,122)(H,95,111)(H,96,110)(H,97,116)(H,98,115)(H,99,118)(H,100,119)(H,101,124)(H,102,127)(H,103,123)(H,104,125)(H,105,126)(H,112,113)/t51-,52-,53-,54-,55-,56-/m0/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | SVILHBHLAGERMJ-FMBXVYBVSA-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 | NPA026828 | ||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 146683247 | ||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
References | |||||||||||||||||||||||||||||||||||||||||||||||||
General References |
|