Showing NP-Card for Tylopeptin B (NP0003141)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 00:31:11 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:45:37 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0003141 | ||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Tylopeptin B | ||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Tylopeptin B is found in Tylopilus neofelleus. It was first documented in 1999 (PMID: 10656572). Based on a literature review very few articles have been published on (2S)-2-[(2-{[(2S)-2-{[(2S)-2-[(2-{[(2S)-1,3-dihydroxy-2-[(1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-(1H-indol-3-yl)propylidene]amino}-3-methylbutylidene]amino}-2-methylpropylidene)amino]-2-methylpropylidene}amino)propylidene]amino}-4-(C-hydroxycarbonimidoyl)butylidene]amino}propylidene]amino}-2-methylpropylidene)amino]propylidene]amino}-1-hydroxy-2-methylpropylidene)amino]-1-hydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-2-methylpropylidene)amino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediimidic acid (PMID: 33640429) (PMID: 22052779) (PMID: 20028397). | ||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0003141 (Tylopeptin B)
Mrv1652307012117073D
227228 0 0 0 0 999 V2000
-5.9384 7.1687 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5694 5.8406 1.3734 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8018 5.7224 1.3067 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7461 4.7377 1.6681 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2934 3.4073 1.9047 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6574 2.5007 0.9147 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0777 1.0927 0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4062 -0.0724 1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2127 -1.1074 1.1456 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.3812 -0.7307 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5325 -1.4128 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6246 -0.7575 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5475 0.6116 -0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3986 1.2874 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3197 0.6310 0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0805 3.0387 3.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4989 3.8718 4.0821 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4758 1.8233 3.9170 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2381 1.5377 5.3668 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8706 0.9948 5.5032 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1645 0.9278 4.4503 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3229 0.5686 6.7026 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0224 0.0422 6.9708 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9408 -0.4109 8.4240 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0540 1.2574 6.8981 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5097 -1.0046 6.1013 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1710 -1.3377 5.0621 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2805 -1.7020 6.3311 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8084 -2.7071 5.3992 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4164 -3.4073 5.9379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3401 -2.0331 4.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8426 -3.6784 5.0551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5925 -4.1645 5.9565 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0211 -4.0797 3.7160 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9963 -5.0119 3.2411 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.2631 -4.2959 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3593 -5.7310 2.0771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1623 -6.1012 2.3713 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9810 -5.9383 0.8768 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5801 -6.5950 -0.3642 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.3033 -5.9972 -1.4773 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.1649 -6.5341 -2.8393 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0217 -5.6922 -3.7597 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3264 -6.0798 -5.0579 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.4537 -4.6119 -3.2907 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1242 -6.7328 -0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5781 -7.3172 0.5638 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2029 -6.3753 -1.4335 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2400 -6.6749 -1.2432 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4820 -8.0892 -1.8303 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1415 -5.7084 -1.8601 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6949 -4.6745 -2.4007 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5460 -5.9332 -1.8598 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5030 -5.0747 -2.4465 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2278 -4.8056 -3.8907 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8202 -5.9594 -2.4744 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9287 -3.8815 -1.6704 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3925 -3.6217 -0.5902 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9602 -3.0686 -2.1888 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5560 -1.9412 -1.5870 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9062 -2.3236 -1.0068 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7381 -3.3485 -0.0537 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6358 -0.6472 -2.2866 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6284 -0.0862 -2.7466 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8996 -0.0225 -2.4300 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3204 1.1988 -2.9201 C 0 0 2 0 0 0 0 0 0 0 0 0
9.8129 1.1467 -3.2804 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3884 2.1071 -1.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6167 1.9710 -3.9623 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1712 1.3307 -4.9528 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4541 3.3423 -3.8305 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8404 4.3989 -4.5860 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6304 3.6632 -5.3361 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1837 5.2933 -3.6775 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4020 4.7908 -2.4003 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4276 6.4402 -3.5361 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0308 6.7357 -2.1143 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7253 8.0908 -1.7999 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8664 9.0841 -1.9545 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3685 9.1353 -3.3534 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6151 10.3992 -1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9079 5.7268 -1.9493 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9611 5.7541 -2.7459 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0299 4.7473 -0.9171 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1536 3.6634 -0.7962 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9845 3.0668 -2.1598 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1621 2.5806 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0398 3.5166 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7886 4.4971 0.8738 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3301 2.2842 0.1218 N 0 0 2 0 0 0 0 0 0 0 0 0
0.6480 1.1273 0.1466 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5702 0.9118 0.9864 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7672 1.7291 0.9044 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6192 3.1809 1.2102 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0341 3.6357 2.4691 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1538 3.9411 0.3695 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5102 0.4848 -1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4617 0.4607 -2.0420 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6929 -0.1229 -1.6063 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7715 -0.6904 -2.9899 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9509 0.0507 -3.6013 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6899 1.4351 -3.5755 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9449 -2.1501 -2.8388 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0134 -2.9726 -4.0782 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2209 -2.8624 -4.9238 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2448 -2.8161 -4.9027 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3561 0.6769 5.8093 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3697 0.3151 7.2486 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6800 1.3767 5.4823 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0149 7.8163 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3917 7.7054 0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8448 7.0243 0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7346 4.8374 1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3869 3.4692 1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5366 2.5057 1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9026 2.8956 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4086 -0.0595 1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9686 -2.0837 1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5840 -2.4755 0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5347 -1.3037 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3882 1.1398 -0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3477 2.3685 -0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9597 1.1161 3.3482 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2470 2.5154 5.8563 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9435 0.6594 7.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2493 0.3799 9.1333 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8778 -0.7012 8.6140 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5903 -1.3191 8.5737 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0886 0.8455 6.6202 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4695 1.9950 6.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0126 1.7324 7.8701 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7281 -1.4717 7.1635 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5528 -4.3323 5.3100 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2642 -3.6850 6.9898 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3403 -2.8368 5.8124 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1692 -1.7249 3.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2129 -1.1244 4.4318 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3006 -2.7134 3.5266 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3796 -3.6668 2.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3060 -5.6775 4.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6143 -3.6076 3.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1352 -3.8074 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0566 -5.0701 2.6512 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0163 -5.5492 0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9081 -7.7047 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4084 -5.8716 -1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9951 -4.8785 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6164 -7.5732 -2.9126 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1779 -6.5475 -3.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6972 -5.3458 -5.7394 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2298 -7.0378 -5.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4120 -5.8674 -2.3024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3640 -6.8305 -0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2844 -8.8355 -1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5570 -8.1037 -2.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8691 -8.2355 -2.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9067 -6.8246 -1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0879 -5.0571 -4.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9266 -3.7486 -4.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3959 -5.4819 -4.2055 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6148 -5.4350 -2.9853 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4774 -6.9138 -2.9164 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0491 -6.1621 -1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3113 -3.3696 -3.1662 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8992 -1.7422 -0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5543 -2.6928 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3310 -1.4580 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5676 -2.9836 0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7224 -0.6646 -2.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9661 0.2067 -3.8273 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4614 1.2467 -2.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0218 1.9512 -4.0392 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3865 2.4796 -1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1316 2.8854 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7772 1.4429 -0.7968 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9045 3.7492 -2.9233 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4294 4.8176 -5.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9610 3.3807 -6.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8946 4.4690 -5.4513 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3056 2.8988 -4.6615 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1159 7.0412 -4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9022 6.3518 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3697 8.2306 -0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8487 8.5234 -2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7216 8.5758 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6186 9.2922 -4.1083 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9486 8.2259 -3.5624 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1643 9.9488 -3.3875 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5611 10.6547 -1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1095 11.2462 -1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0950 10.4114 -0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8386 4.9204 -0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5208 3.6715 -2.9641 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4439 2.0626 -2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9369 3.0943 -2.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7617 1.6375 -0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0568 2.7454 1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1714 2.8566 -0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8564 2.6012 1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3598 0.2937 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8221 -0.1925 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2436 0.9239 2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4816 1.3337 1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3725 1.6054 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7294 4.3860 2.5726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6707 3.2449 3.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4983 -0.2024 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1470 -0.3807 -3.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1817 -0.2991 -4.5925 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8685 -0.0940 -2.9725 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2560 1.7252 -4.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8649 -2.3077 -2.1961 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1033 -2.5026 -2.1774 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 -4.0491 -3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0242 -2.2041 -5.7806 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1201 -2.5533 -4.3921 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4535 -3.8408 -5.4015 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1383 -2.4454 -4.4181 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9606 -2.2554 -5.8549 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5675 -3.8185 -5.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3603 -0.2999 5.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4503 0.0806 7.5792 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1204 1.1601 7.9315 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8263 -0.6179 7.4873 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7801 1.5542 4.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6375 2.3668 5.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5389 0.8136 5.8592 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
5 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 6 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
29 32 1 6 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
43 45 2 0 0 0 0
40 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 0 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
54 56 1 0 0 0 0
54 57 1 1 0 0 0
57 58 2 0 0 0 0
57 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
60 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
66 69 1 6 0 0 0
69 70 2 0 0 0 0
69 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 1 0 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 1 0 0 0 0
79 81 1 0 0 0 0
77 82 1 0 0 0 0
82 83 2 0 0 0 0
82 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 1 0 0 0 0
85 87 1 0 0 0 0
85 88 1 1 0 0 0
88 89 2 0 0 0 0
88 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 1 0 0 0 0
92 93 1 0 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
94 96 2 0 0 0 0
91 97 1 0 0 0 0
97 98 2 0 0 0 0
97 99 1 0 0 0 0
99100 1 0 0 0 0
100101 1 0 0 0 0
101102 1 0 0 0 0
100103 1 0 0 0 0
103104 1 0 0 0 0
104105 1 0 0 0 0
104106 1 0 0 0 0
19107 1 0 0 0 0
107108 1 0 0 0 0
107109 1 0 0 0 0
15 7 1 0 0 0 0
15 10 1 0 0 0 0
1110 1 0 0 0 0
1111 1 0 0 0 0
1112 1 0 0 0 0
4113 1 0 0 0 0
5114 1 6 0 0 0
6115 1 0 0 0 0
6116 1 0 0 0 0
8117 1 0 0 0 0
9118 1 0 0 0 0
11119 1 0 0 0 0
12120 1 0 0 0 0
13121 1 0 0 0 0
14122 1 0 0 0 0
18123 1 0 0 0 0
19124 1 1 0 0 0
22125 1 0 0 0 0
24126 1 0 0 0 0
24127 1 0 0 0 0
24128 1 0 0 0 0
25129 1 0 0 0 0
25130 1 0 0 0 0
25131 1 0 0 0 0
28132 1 0 0 0 0
30133 1 0 0 0 0
30134 1 0 0 0 0
30135 1 0 0 0 0
31136 1 0 0 0 0
31137 1 0 0 0 0
31138 1 0 0 0 0
34139 1 0 0 0 0
35140 1 1 0 0 0
36141 1 0 0 0 0
36142 1 0 0 0 0
36143 1 0 0 0 0
39144 1 0 0 0 0
40145 1 1 0 0 0
41146 1 0 0 0 0
41147 1 0 0 0 0
42148 1 0 0 0 0
42149 1 0 0 0 0
44150 1 0 0 0 0
44151 1 0 0 0 0
48152 1 0 0 0 0
49153 1 1 0 0 0
50154 1 0 0 0 0
50155 1 0 0 0 0
50156 1 0 0 0 0
53157 1 0 0 0 0
55158 1 0 0 0 0
55159 1 0 0 0 0
55160 1 0 0 0 0
56161 1 0 0 0 0
56162 1 0 0 0 0
56163 1 0 0 0 0
59164 1 0 0 0 0
60165 1 1 0 0 0
61166 1 0 0 0 0
61167 1 0 0 0 0
62168 1 0 0 0 0
65169 1 0 0 0 0
67170 1 0 0 0 0
67171 1 0 0 0 0
67172 1 0 0 0 0
68173 1 0 0 0 0
68174 1 0 0 0 0
68175 1 0 0 0 0
71176 1 0 0 0 0
72177 1 6 0 0 0
73178 1 0 0 0 0
73179 1 0 0 0 0
73180 1 0 0 0 0
76181 1 0 0 0 0
77182 1 1 0 0 0
78183 1 0 0 0 0
78184 1 0 0 0 0
79185 1 1 0 0 0
80186 1 0 0 0 0
80187 1 0 0 0 0
80188 1 0 0 0 0
81189 1 0 0 0 0
81190 1 0 0 0 0
81191 1 0 0 0 0
84192 1 0 0 0 0
86193 1 0 0 0 0
86194 1 0 0 0 0
86195 1 0 0 0 0
87196 1 0 0 0 0
87197 1 0 0 0 0
87198 1 0 0 0 0
90199 1 0 0 0 0
91200 1 1 0 0 0
92201 1 0 0 0 0
92202 1 0 0 0 0
93203 1 0 0 0 0
93204 1 0 0 0 0
95205 1 0 0 0 0
95206 1 0 0 0 0
99207 1 0 0 0 0
100208 1 6 0 0 0
101209 1 0 0 0 0
101210 1 0 0 0 0
102211 1 0 0 0 0
103212 1 0 0 0 0
103213 1 0 0 0 0
104214 1 1 0 0 0
105215 1 0 0 0 0
105216 1 0 0 0 0
105217 1 0 0 0 0
106218 1 0 0 0 0
106219 1 0 0 0 0
106220 1 0 0 0 0
107221 1 6 0 0 0
108222 1 0 0 0 0
108223 1 0 0 0 0
108224 1 0 0 0 0
109225 1 0 0 0 0
109226 1 0 0 0 0
109227 1 0 0 0 0
M END
3D MOL for NP0003141 (Tylopeptin B)
RDKit 3D
227228 0 0 0 0 0 0 0 0999 V2000
-5.9384 7.1687 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5694 5.8406 1.3734 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8018 5.7224 1.3067 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7461 4.7377 1.6681 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2934 3.4073 1.9047 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6574 2.5007 0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0777 1.0927 0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4062 -0.0724 1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2127 -1.1074 1.1456 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.3812 -0.7307 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5325 -1.4128 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6246 -0.7575 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5475 0.6116 -0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3986 1.2874 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3197 0.6310 0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0805 3.0387 3.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4989 3.8718 4.0821 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4758 1.8233 3.9170 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2381 1.5377 5.3668 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8706 0.9948 5.5032 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1645 0.9278 4.4503 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3229 0.5686 6.7026 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0224 0.0422 6.9708 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9408 -0.4109 8.4240 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0540 1.2574 6.8981 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5097 -1.0046 6.1013 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1710 -1.3377 5.0621 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2805 -1.7020 6.3311 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8084 -2.7071 5.3992 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4164 -3.4073 5.9379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3401 -2.0331 4.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8426 -3.6784 5.0551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5925 -4.1645 5.9565 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0211 -4.0797 3.7160 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9963 -5.0119 3.2411 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.2631 -4.2959 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3593 -5.7310 2.0771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1623 -6.1012 2.3713 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9810 -5.9383 0.8768 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5801 -6.5950 -0.3642 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.3033 -5.9972 -1.4773 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1649 -6.5341 -2.8393 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0217 -5.6922 -3.7597 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3264 -6.0798 -5.0579 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.4537 -4.6119 -3.2907 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1242 -6.7328 -0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5781 -7.3172 0.5638 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2029 -6.3753 -1.4335 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2400 -6.6749 -1.2432 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4820 -8.0892 -1.8303 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1415 -5.7084 -1.8601 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6949 -4.6745 -2.4007 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5460 -5.9332 -1.8598 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5030 -5.0747 -2.4465 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2278 -4.8056 -3.8907 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8202 -5.9594 -2.4744 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9287 -3.8815 -1.6704 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3925 -3.6217 -0.5902 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9602 -3.0686 -2.1888 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5560 -1.9412 -1.5870 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9062 -2.3236 -1.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7381 -3.3485 -0.0537 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6358 -0.6472 -2.2866 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6284 -0.0862 -2.7466 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8996 -0.0225 -2.4300 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3204 1.1988 -2.9201 C 0 0 2 0 0 0 0 0 0 0 0 0
9.8129 1.1467 -3.2804 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3884 2.1071 -1.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6167 1.9710 -3.9623 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1712 1.3307 -4.9528 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4541 3.3423 -3.8305 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8404 4.3989 -4.5860 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6304 3.6632 -5.3361 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1837 5.2933 -3.6775 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4020 4.7908 -2.4003 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4276 6.4402 -3.5361 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0308 6.7357 -2.1143 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7253 8.0908 -1.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8664 9.0841 -1.9545 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3685 9.1353 -3.3534 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6151 10.3992 -1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9079 5.7268 -1.9493 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9611 5.7541 -2.7459 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0299 4.7473 -0.9171 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1536 3.6634 -0.7962 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9845 3.0668 -2.1598 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1621 2.5806 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0398 3.5166 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7886 4.4971 0.8738 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3301 2.2842 0.1218 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6480 1.1273 0.1466 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5702 0.9118 0.9864 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7672 1.7291 0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6192 3.1809 1.2102 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0341 3.6357 2.4691 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1538 3.9411 0.3695 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5102 0.4848 -1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4617 0.4607 -2.0420 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6929 -0.1229 -1.6063 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7715 -0.6904 -2.9899 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9509 0.0507 -3.6013 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6899 1.4351 -3.5755 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9449 -2.1501 -2.8388 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0134 -2.9726 -4.0782 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2209 -2.8624 -4.9238 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2448 -2.8161 -4.9027 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3561 0.6769 5.8093 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3697 0.3151 7.2486 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6800 1.3767 5.4823 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0149 7.8163 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3917 7.7054 0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8448 7.0243 0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7346 4.8374 1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3869 3.4692 1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5366 2.5057 1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9026 2.8956 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4086 -0.0595 1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9686 -2.0837 1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5840 -2.4755 0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5347 -1.3037 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3882 1.1398 -0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3477 2.3685 -0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9597 1.1161 3.3482 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2470 2.5154 5.8563 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9435 0.6594 7.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2493 0.3799 9.1333 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8778 -0.7012 8.6140 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5903 -1.3191 8.5737 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0886 0.8455 6.6202 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4695 1.9950 6.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0126 1.7324 7.8701 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7281 -1.4717 7.1635 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5528 -4.3323 5.3100 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2642 -3.6850 6.9898 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3403 -2.8368 5.8124 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1692 -1.7249 3.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2129 -1.1244 4.4318 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3006 -2.7134 3.5266 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3796 -3.6668 2.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3060 -5.6775 4.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6143 -3.6076 3.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1352 -3.8074 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0566 -5.0701 2.6512 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0163 -5.5492 0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9081 -7.7047 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4084 -5.8716 -1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9951 -4.8785 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6164 -7.5732 -2.9126 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1779 -6.5475 -3.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6972 -5.3458 -5.7394 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2298 -7.0378 -5.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4120 -5.8674 -2.3024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3640 -6.8305 -0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2844 -8.8355 -1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5570 -8.1037 -2.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8691 -8.2355 -2.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9067 -6.8246 -1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0879 -5.0571 -4.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9266 -3.7486 -4.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3959 -5.4819 -4.2055 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6148 -5.4350 -2.9853 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4774 -6.9138 -2.9164 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0491 -6.1621 -1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3113 -3.3696 -3.1662 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8992 -1.7422 -0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5543 -2.6928 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3310 -1.4580 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5676 -2.9836 0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7224 -0.6646 -2.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9661 0.2067 -3.8273 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4614 1.2467 -2.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0218 1.9512 -4.0392 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3865 2.4796 -1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1316 2.8854 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7772 1.4429 -0.7968 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9045 3.7492 -2.9233 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4294 4.8176 -5.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9610 3.3807 -6.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8946 4.4690 -5.4513 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3056 2.8988 -4.6615 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1159 7.0412 -4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9022 6.3518 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3697 8.2306 -0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8487 8.5234 -2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7216 8.5758 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6186 9.2922 -4.1083 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9486 8.2259 -3.5624 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1643 9.9488 -3.3875 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5611 10.6547 -1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1095 11.2462 -1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0950 10.4114 -0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8386 4.9204 -0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5208 3.6715 -2.9641 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4439 2.0626 -2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9369 3.0943 -2.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7617 1.6375 -0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0568 2.7454 1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1714 2.8566 -0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8564 2.6012 1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3598 0.2937 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8221 -0.1925 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2436 0.9239 2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4816 1.3337 1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3725 1.6054 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7294 4.3860 2.5726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6707 3.2449 3.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4983 -0.2024 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1470 -0.3807 -3.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1817 -0.2991 -4.5925 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8685 -0.0940 -2.9725 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2560 1.7252 -4.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8649 -2.3077 -2.1961 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1033 -2.5026 -2.1774 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 -4.0491 -3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0242 -2.2041 -5.7806 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1201 -2.5533 -4.3921 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4535 -3.8408 -5.4015 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1383 -2.4454 -4.4181 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9606 -2.2554 -5.8549 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5675 -3.8185 -5.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3603 -0.2999 5.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4503 0.0806 7.5792 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1204 1.1601 7.9315 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8263 -0.6179 7.4873 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7801 1.5542 4.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6375 2.3668 5.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5389 0.8136 5.8592 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
5 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 0
20 22 1 0
22 23 1 0
23 24 1 0
23 25 1 0
23 26 1 6
26 27 2 0
26 28 1 0
28 29 1 0
29 30 1 0
29 31 1 0
29 32 1 6
32 33 2 0
32 34 1 0
34 35 1 0
35 36 1 0
35 37 1 0
37 38 2 0
37 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
43 44 1 0
43 45 2 0
40 46 1 0
46 47 2 0
46 48 1 0
48 49 1 0
49 50 1 0
49 51 1 0
51 52 2 0
51 53 1 0
53 54 1 0
54 55 1 0
54 56 1 0
54 57 1 1
57 58 2 0
57 59 1 0
59 60 1 0
60 61 1 0
61 62 1 0
60 63 1 0
63 64 2 0
63 65 1 0
65 66 1 0
66 67 1 0
66 68 1 0
66 69 1 6
69 70 2 0
69 71 1 0
71 72 1 0
72 73 1 0
72 74 1 0
74 75 2 0
74 76 1 0
76 77 1 0
77 78 1 0
78 79 1 0
79 80 1 0
79 81 1 0
77 82 1 0
82 83 2 0
82 84 1 0
84 85 1 0
85 86 1 0
85 87 1 0
85 88 1 1
88 89 2 0
88 90 1 0
90 91 1 0
91 92 1 0
92 93 1 0
93 94 1 0
94 95 1 0
94 96 2 0
91 97 1 0
97 98 2 0
97 99 1 0
99100 1 0
100101 1 0
101102 1 0
100103 1 0
103104 1 0
104105 1 0
104106 1 0
19107 1 0
107108 1 0
107109 1 0
15 7 1 0
15 10 1 0
1110 1 0
1111 1 0
1112 1 0
4113 1 0
5114 1 6
6115 1 0
6116 1 0
8117 1 0
9118 1 0
11119 1 0
12120 1 0
13121 1 0
14122 1 0
18123 1 0
19124 1 1
22125 1 0
24126 1 0
24127 1 0
24128 1 0
25129 1 0
25130 1 0
25131 1 0
28132 1 0
30133 1 0
30134 1 0
30135 1 0
31136 1 0
31137 1 0
31138 1 0
34139 1 0
35140 1 1
36141 1 0
36142 1 0
36143 1 0
39144 1 0
40145 1 1
41146 1 0
41147 1 0
42148 1 0
42149 1 0
44150 1 0
44151 1 0
48152 1 0
49153 1 1
50154 1 0
50155 1 0
50156 1 0
53157 1 0
55158 1 0
55159 1 0
55160 1 0
56161 1 0
56162 1 0
56163 1 0
59164 1 0
60165 1 1
61166 1 0
61167 1 0
62168 1 0
65169 1 0
67170 1 0
67171 1 0
67172 1 0
68173 1 0
68174 1 0
68175 1 0
71176 1 0
72177 1 6
73178 1 0
73179 1 0
73180 1 0
76181 1 0
77182 1 1
78183 1 0
78184 1 0
79185 1 1
80186 1 0
80187 1 0
80188 1 0
81189 1 0
81190 1 0
81191 1 0
84192 1 0
86193 1 0
86194 1 0
86195 1 0
87196 1 0
87197 1 0
87198 1 0
90199 1 0
91200 1 1
92201 1 0
92202 1 0
93203 1 0
93204 1 0
95205 1 0
95206 1 0
99207 1 0
100208 1 6
101209 1 0
101210 1 0
102211 1 0
103212 1 0
103213 1 0
104214 1 1
105215 1 0
105216 1 0
105217 1 0
106218 1 0
106219 1 0
106220 1 0
107221 1 6
108222 1 0
108223 1 0
108224 1 0
109225 1 0
109226 1 0
109227 1 0
M END
3D SDF for NP0003141 (Tylopeptin B)
Mrv1652307012117073D
227228 0 0 0 0 999 V2000
-5.9384 7.1687 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5694 5.8406 1.3734 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8018 5.7224 1.3067 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7461 4.7377 1.6681 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2934 3.4073 1.9047 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6574 2.5007 0.9147 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0777 1.0927 0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4062 -0.0724 1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2127 -1.1074 1.1456 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.3812 -0.7307 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5325 -1.4128 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6246 -0.7575 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5475 0.6116 -0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3986 1.2874 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3197 0.6310 0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0805 3.0387 3.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4989 3.8718 4.0821 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4758 1.8233 3.9170 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2381 1.5377 5.3668 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8706 0.9948 5.5032 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1645 0.9278 4.4503 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3229 0.5686 6.7026 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0224 0.0422 6.9708 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9408 -0.4109 8.4240 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0540 1.2574 6.8981 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5097 -1.0046 6.1013 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1710 -1.3377 5.0621 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2805 -1.7020 6.3311 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8084 -2.7071 5.3992 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4164 -3.4073 5.9379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3401 -2.0331 4.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8426 -3.6784 5.0551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5925 -4.1645 5.9565 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0211 -4.0797 3.7160 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9963 -5.0119 3.2411 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.2631 -4.2959 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3593 -5.7310 2.0771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1623 -6.1012 2.3713 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9810 -5.9383 0.8768 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5801 -6.5950 -0.3642 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.3033 -5.9972 -1.4773 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.1649 -6.5341 -2.8393 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0217 -5.6922 -3.7597 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3264 -6.0798 -5.0579 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.4537 -4.6119 -3.2907 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1242 -6.7328 -0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5781 -7.3172 0.5638 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2029 -6.3753 -1.4335 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2400 -6.6749 -1.2432 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4820 -8.0892 -1.8303 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1415 -5.7084 -1.8601 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6949 -4.6745 -2.4007 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5460 -5.9332 -1.8598 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5030 -5.0747 -2.4465 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2278 -4.8056 -3.8907 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8202 -5.9594 -2.4744 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9287 -3.8815 -1.6704 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3925 -3.6217 -0.5902 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9602 -3.0686 -2.1888 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5560 -1.9412 -1.5870 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9062 -2.3236 -1.0068 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7381 -3.3485 -0.0537 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6358 -0.6472 -2.2866 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6284 -0.0862 -2.7466 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8996 -0.0225 -2.4300 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3204 1.1988 -2.9201 C 0 0 2 0 0 0 0 0 0 0 0 0
9.8129 1.1467 -3.2804 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3884 2.1071 -1.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6167 1.9710 -3.9623 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1712 1.3307 -4.9528 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4541 3.3423 -3.8305 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8404 4.3989 -4.5860 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6304 3.6632 -5.3361 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1837 5.2933 -3.6775 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4020 4.7908 -2.4003 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4276 6.4402 -3.5361 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0308 6.7357 -2.1143 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7253 8.0908 -1.7999 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8664 9.0841 -1.9545 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3685 9.1353 -3.3534 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6151 10.3992 -1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9079 5.7268 -1.9493 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9611 5.7541 -2.7459 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0299 4.7473 -0.9171 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1536 3.6634 -0.7962 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9845 3.0668 -2.1598 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1621 2.5806 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0398 3.5166 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7886 4.4971 0.8738 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3301 2.2842 0.1218 N 0 0 2 0 0 0 0 0 0 0 0 0
0.6480 1.1273 0.1466 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5702 0.9118 0.9864 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7672 1.7291 0.9044 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6192 3.1809 1.2102 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0341 3.6357 2.4691 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1538 3.9411 0.3695 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5102 0.4848 -1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4617 0.4607 -2.0420 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6929 -0.1229 -1.6063 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7715 -0.6904 -2.9899 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9509 0.0507 -3.6013 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6899 1.4351 -3.5755 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9449 -2.1501 -2.8388 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0134 -2.9726 -4.0782 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2209 -2.8624 -4.9238 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2448 -2.8161 -4.9027 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3561 0.6769 5.8093 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3697 0.3151 7.2486 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6800 1.3767 5.4823 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0149 7.8163 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3917 7.7054 0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8448 7.0243 0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7346 4.8374 1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3869 3.4692 1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5366 2.5057 1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9026 2.8956 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4086 -0.0595 1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9686 -2.0837 1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5840 -2.4755 0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5347 -1.3037 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3882 1.1398 -0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3477 2.3685 -0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9597 1.1161 3.3482 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2470 2.5154 5.8563 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9435 0.6594 7.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2493 0.3799 9.1333 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8778 -0.7012 8.6140 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5903 -1.3191 8.5737 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0886 0.8455 6.6202 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4695 1.9950 6.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0126 1.7324 7.8701 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7281 -1.4717 7.1635 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5528 -4.3323 5.3100 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2642 -3.6850 6.9898 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3403 -2.8368 5.8124 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1692 -1.7249 3.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2129 -1.1244 4.4318 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3006 -2.7134 3.5266 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3796 -3.6668 2.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3060 -5.6775 4.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6143 -3.6076 3.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1352 -3.8074 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0566 -5.0701 2.6512 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0163 -5.5492 0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9081 -7.7047 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4084 -5.8716 -1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9951 -4.8785 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6164 -7.5732 -2.9126 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1779 -6.5475 -3.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6972 -5.3458 -5.7394 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2298 -7.0378 -5.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4120 -5.8674 -2.3024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3640 -6.8305 -0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2844 -8.8355 -1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5570 -8.1037 -2.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8691 -8.2355 -2.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9067 -6.8246 -1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0879 -5.0571 -4.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9266 -3.7486 -4.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3959 -5.4819 -4.2055 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6148 -5.4350 -2.9853 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4774 -6.9138 -2.9164 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0491 -6.1621 -1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3113 -3.3696 -3.1662 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8992 -1.7422 -0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5543 -2.6928 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3310 -1.4580 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5676 -2.9836 0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7224 -0.6646 -2.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9661 0.2067 -3.8273 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4614 1.2467 -2.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0218 1.9512 -4.0392 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3865 2.4796 -1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1316 2.8854 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7772 1.4429 -0.7968 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9045 3.7492 -2.9233 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4294 4.8176 -5.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9610 3.3807 -6.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8946 4.4690 -5.4513 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3056 2.8988 -4.6615 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1159 7.0412 -4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9022 6.3518 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3697 8.2306 -0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8487 8.5234 -2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7216 8.5758 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6186 9.2922 -4.1083 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9486 8.2259 -3.5624 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1643 9.9488 -3.3875 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5611 10.6547 -1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1095 11.2462 -1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0950 10.4114 -0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8386 4.9204 -0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5208 3.6715 -2.9641 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4439 2.0626 -2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9369 3.0943 -2.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7617 1.6375 -0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0568 2.7454 1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1714 2.8566 -0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8564 2.6012 1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3598 0.2937 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8221 -0.1925 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2436 0.9239 2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4816 1.3337 1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3725 1.6054 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7294 4.3860 2.5726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6707 3.2449 3.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4983 -0.2024 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1470 -0.3807 -3.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1817 -0.2991 -4.5925 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8685 -0.0940 -2.9725 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2560 1.7252 -4.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8649 -2.3077 -2.1961 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1033 -2.5026 -2.1774 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 -4.0491 -3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0242 -2.2041 -5.7806 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1201 -2.5533 -4.3921 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4535 -3.8408 -5.4015 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1383 -2.4454 -4.4181 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9606 -2.2554 -5.8549 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5675 -3.8185 -5.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3603 -0.2999 5.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4503 0.0806 7.5792 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1204 1.1601 7.9315 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8263 -0.6179 7.4873 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7801 1.5542 4.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6375 2.3668 5.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5389 0.8136 5.8592 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
5 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 6 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
29 32 1 6 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
43 45 2 0 0 0 0
40 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 0 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
54 56 1 0 0 0 0
54 57 1 1 0 0 0
57 58 2 0 0 0 0
57 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
60 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
66 69 1 6 0 0 0
69 70 2 0 0 0 0
69 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 1 0 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 1 0 0 0 0
79 81 1 0 0 0 0
77 82 1 0 0 0 0
82 83 2 0 0 0 0
82 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 1 0 0 0 0
85 87 1 0 0 0 0
85 88 1 1 0 0 0
88 89 2 0 0 0 0
88 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 1 0 0 0 0
92 93 1 0 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
94 96 2 0 0 0 0
91 97 1 0 0 0 0
97 98 2 0 0 0 0
97 99 1 0 0 0 0
99100 1 0 0 0 0
100101 1 0 0 0 0
101102 1 0 0 0 0
100103 1 0 0 0 0
103104 1 0 0 0 0
104105 1 0 0 0 0
104106 1 0 0 0 0
19107 1 0 0 0 0
107108 1 0 0 0 0
107109 1 0 0 0 0
15 7 1 0 0 0 0
15 10 1 0 0 0 0
1110 1 0 0 0 0
1111 1 0 0 0 0
1112 1 0 0 0 0
4113 1 0 0 0 0
5114 1 6 0 0 0
6115 1 0 0 0 0
6116 1 0 0 0 0
8117 1 0 0 0 0
9118 1 0 0 0 0
11119 1 0 0 0 0
12120 1 0 0 0 0
13121 1 0 0 0 0
14122 1 0 0 0 0
18123 1 0 0 0 0
19124 1 1 0 0 0
22125 1 0 0 0 0
24126 1 0 0 0 0
24127 1 0 0 0 0
24128 1 0 0 0 0
25129 1 0 0 0 0
25130 1 0 0 0 0
25131 1 0 0 0 0
28132 1 0 0 0 0
30133 1 0 0 0 0
30134 1 0 0 0 0
30135 1 0 0 0 0
31136 1 0 0 0 0
31137 1 0 0 0 0
31138 1 0 0 0 0
34139 1 0 0 0 0
35140 1 1 0 0 0
36141 1 0 0 0 0
36142 1 0 0 0 0
36143 1 0 0 0 0
39144 1 0 0 0 0
40145 1 1 0 0 0
41146 1 0 0 0 0
41147 1 0 0 0 0
42148 1 0 0 0 0
42149 1 0 0 0 0
44150 1 0 0 0 0
44151 1 0 0 0 0
48152 1 0 0 0 0
49153 1 1 0 0 0
50154 1 0 0 0 0
50155 1 0 0 0 0
50156 1 0 0 0 0
53157 1 0 0 0 0
55158 1 0 0 0 0
55159 1 0 0 0 0
55160 1 0 0 0 0
56161 1 0 0 0 0
56162 1 0 0 0 0
56163 1 0 0 0 0
59164 1 0 0 0 0
60165 1 1 0 0 0
61166 1 0 0 0 0
61167 1 0 0 0 0
62168 1 0 0 0 0
65169 1 0 0 0 0
67170 1 0 0 0 0
67171 1 0 0 0 0
67172 1 0 0 0 0
68173 1 0 0 0 0
68174 1 0 0 0 0
68175 1 0 0 0 0
71176 1 0 0 0 0
72177 1 6 0 0 0
73178 1 0 0 0 0
73179 1 0 0 0 0
73180 1 0 0 0 0
76181 1 0 0 0 0
77182 1 1 0 0 0
78183 1 0 0 0 0
78184 1 0 0 0 0
79185 1 1 0 0 0
80186 1 0 0 0 0
80187 1 0 0 0 0
80188 1 0 0 0 0
81189 1 0 0 0 0
81190 1 0 0 0 0
81191 1 0 0 0 0
84192 1 0 0 0 0
86193 1 0 0 0 0
86194 1 0 0 0 0
86195 1 0 0 0 0
87196 1 0 0 0 0
87197 1 0 0 0 0
87198 1 0 0 0 0
90199 1 0 0 0 0
91200 1 1 0 0 0
92201 1 0 0 0 0
92202 1 0 0 0 0
93203 1 0 0 0 0
93204 1 0 0 0 0
95205 1 0 0 0 0
95206 1 0 0 0 0
99207 1 0 0 0 0
100208 1 6 0 0 0
101209 1 0 0 0 0
101210 1 0 0 0 0
102211 1 0 0 0 0
103212 1 0 0 0 0
103213 1 0 0 0 0
104214 1 1 0 0 0
105215 1 0 0 0 0
105216 1 0 0 0 0
105217 1 0 0 0 0
106218 1 0 0 0 0
106219 1 0 0 0 0
106220 1 0 0 0 0
107221 1 6 0 0 0
108222 1 0 0 0 0
108223 1 0 0 0 0
108224 1 0 0 0 0
109225 1 0 0 0 0
109226 1 0 0 0 0
109227 1 0 0 0 0
M END
> <DATABASE_ID>
NP0003141
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC([H])([H])[C@]([H])(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C72H118N18O19/c1-35(2)29-43(33-91)80-58(100)47(26-28-52(74)95)83-65(107)70(15,16)87-60(102)48(30-36(3)4)82-55(97)39(8)77-63(105)68(11,12)88-61(103)50(34-92)84-66(108)69(13,14)86-56(98)40(9)76-57(99)46(25-27-51(73)94)81-54(96)38(7)78-64(106)71(17,18)90-67(109)72(19,20)89-62(104)53(37(5)6)85-59(101)49(79-41(10)93)31-42-32-75-45-24-22-21-23-44(42)45/h21-24,32,35-40,43,46-50,53,75,91-92H,25-31,33-34H2,1-20H3,(H2,73,94)(H2,74,95)(H,76,99)(H,77,105)(H,78,106)(H,79,93)(H,80,100)(H,81,96)(H,82,97)(H,83,107)(H,84,108)(H,85,101)(H,86,98)(H,87,102)(H,88,103)(H,89,104)(H,90,109)/t38-,39-,40-,43-,46-,47-,48-,49-,50-,53-/m0/s1
> <INCHI_KEY>
KAKBBMJKOKAIHQ-LPVJTGJPSA-N
> <FORMULA>
C72H118N18O19
> <MOLECULAR_WEIGHT>
1539.843
> <EXACT_MASS>
1538.882063652
> <JCHEM_ACCEPTOR_COUNT>
19
> <JCHEM_ATOM_COUNT>
227
> <JCHEM_AVERAGE_POLARIZABILITY>
163.6219101847976
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
20
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-acetamido-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)propanamido]butanamido]propanamido]-2-methylpropanamido}-3-hydroxypropanamido]-2-methylpropanamido}propanamido]-4-methylpentanamido]-2-methylpropanamido}-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediamide
> <JCHEM_LOGP>
-4.643868491666672
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
2
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
11.702928677173219
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.318218031385841
> <JCHEM_POLAR_SURFACE_AREA>
578.9299999999998
> <JCHEM_REFRACTIVITY>
394.6210000000001
> <JCHEM_ROTATABLE_BOND_COUNT>
44
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-acetamido-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)propanamido]butanamido]propanamido]-2-methylpropanamido}-3-hydroxypropanamido]-2-methylpropanamido}propanamido]-4-methylpentanamido]-2-methylpropanamido}-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0003141 (Tylopeptin B)
RDKit 3D
227228 0 0 0 0 0 0 0 0999 V2000
-5.9384 7.1687 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5694 5.8406 1.3734 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8018 5.7224 1.3067 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7461 4.7377 1.6681 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2934 3.4073 1.9047 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6574 2.5007 0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0777 1.0927 0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4062 -0.0724 1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2127 -1.1074 1.1456 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.3812 -0.7307 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5325 -1.4128 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6246 -0.7575 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5475 0.6116 -0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3986 1.2874 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3197 0.6310 0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0805 3.0387 3.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4989 3.8718 4.0821 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4758 1.8233 3.9170 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2381 1.5377 5.3668 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8706 0.9948 5.5032 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1645 0.9278 4.4503 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3229 0.5686 6.7026 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0224 0.0422 6.9708 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9408 -0.4109 8.4240 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0540 1.2574 6.8981 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5097 -1.0046 6.1013 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1710 -1.3377 5.0621 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2805 -1.7020 6.3311 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8084 -2.7071 5.3992 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4164 -3.4073 5.9379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3401 -2.0331 4.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8426 -3.6784 5.0551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5925 -4.1645 5.9565 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0211 -4.0797 3.7160 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9963 -5.0119 3.2411 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.2631 -4.2959 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3593 -5.7310 2.0771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1623 -6.1012 2.3713 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9810 -5.9383 0.8768 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5801 -6.5950 -0.3642 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.3033 -5.9972 -1.4773 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1649 -6.5341 -2.8393 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0217 -5.6922 -3.7597 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3264 -6.0798 -5.0579 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.4537 -4.6119 -3.2907 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1242 -6.7328 -0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5781 -7.3172 0.5638 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2029 -6.3753 -1.4335 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2400 -6.6749 -1.2432 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4820 -8.0892 -1.8303 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1415 -5.7084 -1.8601 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6949 -4.6745 -2.4007 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5460 -5.9332 -1.8598 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5030 -5.0747 -2.4465 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2278 -4.8056 -3.8907 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8202 -5.9594 -2.4744 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9287 -3.8815 -1.6704 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3925 -3.6217 -0.5902 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9602 -3.0686 -2.1888 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5560 -1.9412 -1.5870 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9062 -2.3236 -1.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7381 -3.3485 -0.0537 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6358 -0.6472 -2.2866 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6284 -0.0862 -2.7466 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8996 -0.0225 -2.4300 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3204 1.1988 -2.9201 C 0 0 2 0 0 0 0 0 0 0 0 0
9.8129 1.1467 -3.2804 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3884 2.1071 -1.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6167 1.9710 -3.9623 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1712 1.3307 -4.9528 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4541 3.3423 -3.8305 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8404 4.3989 -4.5860 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6304 3.6632 -5.3361 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1837 5.2933 -3.6775 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4020 4.7908 -2.4003 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4276 6.4402 -3.5361 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0308 6.7357 -2.1143 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7253 8.0908 -1.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8664 9.0841 -1.9545 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3685 9.1353 -3.3534 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6151 10.3992 -1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9079 5.7268 -1.9493 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9611 5.7541 -2.7459 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0299 4.7473 -0.9171 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1536 3.6634 -0.7962 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9845 3.0668 -2.1598 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1621 2.5806 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0398 3.5166 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7886 4.4971 0.8738 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3301 2.2842 0.1218 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6480 1.1273 0.1466 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5702 0.9118 0.9864 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7672 1.7291 0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6192 3.1809 1.2102 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0341 3.6357 2.4691 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1538 3.9411 0.3695 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5102 0.4848 -1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4617 0.4607 -2.0420 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6929 -0.1229 -1.6063 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7715 -0.6904 -2.9899 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9509 0.0507 -3.6013 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6899 1.4351 -3.5755 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9449 -2.1501 -2.8388 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0134 -2.9726 -4.0782 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2209 -2.8624 -4.9238 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2448 -2.8161 -4.9027 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3561 0.6769 5.8093 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3697 0.3151 7.2486 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6800 1.3767 5.4823 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0149 7.8163 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3917 7.7054 0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8448 7.0243 0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7346 4.8374 1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3869 3.4692 1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5366 2.5057 1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9026 2.8956 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4086 -0.0595 1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9686 -2.0837 1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5840 -2.4755 0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5347 -1.3037 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3882 1.1398 -0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3477 2.3685 -0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9597 1.1161 3.3482 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2470 2.5154 5.8563 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9435 0.6594 7.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2493 0.3799 9.1333 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8778 -0.7012 8.6140 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5903 -1.3191 8.5737 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0886 0.8455 6.6202 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4695 1.9950 6.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0126 1.7324 7.8701 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7281 -1.4717 7.1635 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5528 -4.3323 5.3100 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2642 -3.6850 6.9898 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3403 -2.8368 5.8124 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1692 -1.7249 3.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2129 -1.1244 4.4318 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3006 -2.7134 3.5266 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3796 -3.6668 2.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3060 -5.6775 4.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6143 -3.6076 3.5719 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1352 -3.8074 1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0566 -5.0701 2.6512 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0163 -5.5492 0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9081 -7.7047 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4084 -5.8716 -1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9951 -4.8785 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6164 -7.5732 -2.9126 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1779 -6.5475 -3.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6972 -5.3458 -5.7394 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2298 -7.0378 -5.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4120 -5.8674 -2.3024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3640 -6.8305 -0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2844 -8.8355 -1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5570 -8.1037 -2.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8691 -8.2355 -2.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9067 -6.8246 -1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0879 -5.0571 -4.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9266 -3.7486 -4.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3959 -5.4819 -4.2055 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6148 -5.4350 -2.9853 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4774 -6.9138 -2.9164 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0491 -6.1621 -1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3113 -3.3696 -3.1662 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8992 -1.7422 -0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5543 -2.6928 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3310 -1.4580 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5676 -2.9836 0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7224 -0.6646 -2.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9661 0.2067 -3.8273 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4614 1.2467 -2.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0218 1.9512 -4.0392 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3865 2.4796 -1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1316 2.8854 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7772 1.4429 -0.7968 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9045 3.7492 -2.9233 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4294 4.8176 -5.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9610 3.3807 -6.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8946 4.4690 -5.4513 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3056 2.8988 -4.6615 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1159 7.0412 -4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9022 6.3518 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3697 8.2306 -0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8487 8.5234 -2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7216 8.5758 -1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6186 9.2922 -4.1083 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9486 8.2259 -3.5624 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1643 9.9488 -3.3875 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5611 10.6547 -1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1095 11.2462 -1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0950 10.4114 -0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8386 4.9204 -0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5208 3.6715 -2.9641 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4439 2.0626 -2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9369 3.0943 -2.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7617 1.6375 -0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0568 2.7454 1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1714 2.8566 -0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8564 2.6012 1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3598 0.2937 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8221 -0.1925 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2436 0.9239 2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4816 1.3337 1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3725 1.6054 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7294 4.3860 2.5726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6707 3.2449 3.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4983 -0.2024 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1470 -0.3807 -3.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1817 -0.2991 -4.5925 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8685 -0.0940 -2.9725 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2560 1.7252 -4.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8649 -2.3077 -2.1961 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1033 -2.5026 -2.1774 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 -4.0491 -3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0242 -2.2041 -5.7806 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1201 -2.5533 -4.3921 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4535 -3.8408 -5.4015 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1383 -2.4454 -4.4181 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9606 -2.2554 -5.8549 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5675 -3.8185 -5.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3603 -0.2999 5.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4503 0.0806 7.5792 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1204 1.1601 7.9315 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8263 -0.6179 7.4873 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7801 1.5542 4.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6375 2.3668 5.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5389 0.8136 5.8592 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
5 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 0
20 22 1 0
22 23 1 0
23 24 1 0
23 25 1 0
23 26 1 6
26 27 2 0
26 28 1 0
28 29 1 0
29 30 1 0
29 31 1 0
29 32 1 6
32 33 2 0
32 34 1 0
34 35 1 0
35 36 1 0
35 37 1 0
37 38 2 0
37 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
43 44 1 0
43 45 2 0
40 46 1 0
46 47 2 0
46 48 1 0
48 49 1 0
49 50 1 0
49 51 1 0
51 52 2 0
51 53 1 0
53 54 1 0
54 55 1 0
54 56 1 0
54 57 1 1
57 58 2 0
57 59 1 0
59 60 1 0
60 61 1 0
61 62 1 0
60 63 1 0
63 64 2 0
63 65 1 0
65 66 1 0
66 67 1 0
66 68 1 0
66 69 1 6
69 70 2 0
69 71 1 0
71 72 1 0
72 73 1 0
72 74 1 0
74 75 2 0
74 76 1 0
76 77 1 0
77 78 1 0
78 79 1 0
79 80 1 0
79 81 1 0
77 82 1 0
82 83 2 0
82 84 1 0
84 85 1 0
85 86 1 0
85 87 1 0
85 88 1 1
88 89 2 0
88 90 1 0
90 91 1 0
91 92 1 0
92 93 1 0
93 94 1 0
94 95 1 0
94 96 2 0
91 97 1 0
97 98 2 0
97 99 1 0
99100 1 0
100101 1 0
101102 1 0
100103 1 0
103104 1 0
104105 1 0
104106 1 0
19107 1 0
107108 1 0
107109 1 0
15 7 1 0
15 10 1 0
1110 1 0
1111 1 0
1112 1 0
4113 1 0
5114 1 6
6115 1 0
6116 1 0
8117 1 0
9118 1 0
11119 1 0
12120 1 0
13121 1 0
14122 1 0
18123 1 0
19124 1 1
22125 1 0
24126 1 0
24127 1 0
24128 1 0
25129 1 0
25130 1 0
25131 1 0
28132 1 0
30133 1 0
30134 1 0
30135 1 0
31136 1 0
31137 1 0
31138 1 0
34139 1 0
35140 1 1
36141 1 0
36142 1 0
36143 1 0
39144 1 0
40145 1 1
41146 1 0
41147 1 0
42148 1 0
42149 1 0
44150 1 0
44151 1 0
48152 1 0
49153 1 1
50154 1 0
50155 1 0
50156 1 0
53157 1 0
55158 1 0
55159 1 0
55160 1 0
56161 1 0
56162 1 0
56163 1 0
59164 1 0
60165 1 1
61166 1 0
61167 1 0
62168 1 0
65169 1 0
67170 1 0
67171 1 0
67172 1 0
68173 1 0
68174 1 0
68175 1 0
71176 1 0
72177 1 6
73178 1 0
73179 1 0
73180 1 0
76181 1 0
77182 1 1
78183 1 0
78184 1 0
79185 1 1
80186 1 0
80187 1 0
80188 1 0
81189 1 0
81190 1 0
81191 1 0
84192 1 0
86193 1 0
86194 1 0
86195 1 0
87196 1 0
87197 1 0
87198 1 0
90199 1 0
91200 1 1
92201 1 0
92202 1 0
93203 1 0
93204 1 0
95205 1 0
95206 1 0
99207 1 0
100208 1 6
101209 1 0
101210 1 0
102211 1 0
103212 1 0
103213 1 0
104214 1 1
105215 1 0
105216 1 0
105217 1 0
106218 1 0
106219 1 0
106220 1 0
107221 1 6
108222 1 0
108223 1 0
108224 1 0
109225 1 0
109226 1 0
109227 1 0
M END
PDB for NP0003141 (Tylopeptin B)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -5.938 7.169 1.147 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.569 5.841 1.373 0.00 0.00 C+0 HETATM 3 O UNK 0 -7.802 5.722 1.307 0.00 0.00 O+0 HETATM 4 N UNK 0 -5.746 4.738 1.668 0.00 0.00 N+0 HETATM 5 C UNK 0 -6.293 3.407 1.905 0.00 0.00 C+0 HETATM 6 C UNK 0 -5.657 2.501 0.915 0.00 0.00 C+0 HETATM 7 C UNK 0 -6.078 1.093 0.944 0.00 0.00 C+0 HETATM 8 C UNK 0 -5.406 -0.072 1.346 0.00 0.00 C+0 HETATM 9 N UNK 0 -6.213 -1.107 1.146 0.00 0.00 N+0 HETATM 10 C UNK 0 -7.381 -0.731 0.627 0.00 0.00 C+0 HETATM 11 C UNK 0 -8.533 -1.413 0.237 0.00 0.00 C+0 HETATM 12 C UNK 0 -9.625 -0.758 -0.289 0.00 0.00 C+0 HETATM 13 C UNK 0 -9.547 0.612 -0.421 0.00 0.00 C+0 HETATM 14 C UNK 0 -8.399 1.287 -0.026 0.00 0.00 C+0 HETATM 15 C UNK 0 -7.320 0.631 0.494 0.00 0.00 C+0 HETATM 16 C UNK 0 -6.080 3.039 3.321 0.00 0.00 C+0 HETATM 17 O UNK 0 -5.499 3.872 4.082 0.00 0.00 O+0 HETATM 18 N UNK 0 -6.476 1.823 3.917 0.00 0.00 N+0 HETATM 19 C UNK 0 -6.238 1.538 5.367 0.00 0.00 C+0 HETATM 20 C UNK 0 -4.871 0.995 5.503 0.00 0.00 C+0 HETATM 21 O UNK 0 -4.165 0.928 4.450 0.00 0.00 O+0 HETATM 22 N UNK 0 -4.323 0.569 6.703 0.00 0.00 N+0 HETATM 23 C UNK 0 -3.022 0.042 6.971 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.941 -0.411 8.424 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.054 1.257 6.898 0.00 0.00 C+0 HETATM 26 C UNK 0 -2.510 -1.005 6.101 0.00 0.00 C+0 HETATM 27 O UNK 0 -3.171 -1.338 5.062 0.00 0.00 O+0 HETATM 28 N UNK 0 -1.281 -1.702 6.331 0.00 0.00 N+0 HETATM 29 C UNK 0 -0.808 -2.707 5.399 0.00 0.00 C+0 HETATM 30 C UNK 0 0.416 -3.407 5.938 0.00 0.00 C+0 HETATM 31 C UNK 0 -0.340 -2.033 4.098 0.00 0.00 C+0 HETATM 32 C UNK 0 -1.843 -3.678 5.055 0.00 0.00 C+0 HETATM 33 O UNK 0 -2.592 -4.165 5.957 0.00 0.00 O+0 HETATM 34 N UNK 0 -2.021 -4.080 3.716 0.00 0.00 N+0 HETATM 35 C UNK 0 -2.996 -5.012 3.241 0.00 0.00 C+0 HETATM 36 C UNK 0 -4.263 -4.296 2.750 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.359 -5.731 2.077 0.00 0.00 C+0 HETATM 38 O UNK 0 -1.162 -6.101 2.371 0.00 0.00 O+0 HETATM 39 N UNK 0 -2.981 -5.938 0.877 0.00 0.00 N+0 HETATM 40 C UNK 0 -2.580 -6.595 -0.364 0.00 0.00 C+0 HETATM 41 C UNK 0 -3.303 -5.997 -1.477 0.00 0.00 C+0 HETATM 42 C UNK 0 -3.165 -6.534 -2.839 0.00 0.00 C+0 HETATM 43 C UNK 0 -4.022 -5.692 -3.760 0.00 0.00 C+0 HETATM 44 N UNK 0 -4.326 -6.080 -5.058 0.00 0.00 N+0 HETATM 45 O UNK 0 -4.454 -4.612 -3.291 0.00 0.00 O+0 HETATM 46 C UNK 0 -1.124 -6.733 -0.474 0.00 0.00 C+0 HETATM 47 O UNK 0 -0.578 -7.317 0.564 0.00 0.00 O+0 HETATM 48 N UNK 0 -0.203 -6.375 -1.434 0.00 0.00 N+0 HETATM 49 C UNK 0 1.240 -6.675 -1.243 0.00 0.00 C+0 HETATM 50 C UNK 0 1.482 -8.089 -1.830 0.00 0.00 C+0 HETATM 51 C UNK 0 2.142 -5.708 -1.860 0.00 0.00 C+0 HETATM 52 O UNK 0 1.695 -4.675 -2.401 0.00 0.00 O+0 HETATM 53 N UNK 0 3.546 -5.933 -1.860 0.00 0.00 N+0 HETATM 54 C UNK 0 4.503 -5.075 -2.446 0.00 0.00 C+0 HETATM 55 C UNK 0 4.228 -4.806 -3.891 0.00 0.00 C+0 HETATM 56 C UNK 0 5.820 -5.959 -2.474 0.00 0.00 C+0 HETATM 57 C UNK 0 4.929 -3.882 -1.670 0.00 0.00 C+0 HETATM 58 O UNK 0 4.393 -3.622 -0.590 0.00 0.00 O+0 HETATM 59 N UNK 0 5.960 -3.069 -2.189 0.00 0.00 N+0 HETATM 60 C UNK 0 6.556 -1.941 -1.587 0.00 0.00 C+0 HETATM 61 C UNK 0 7.906 -2.324 -1.007 0.00 0.00 C+0 HETATM 62 O UNK 0 7.738 -3.349 -0.054 0.00 0.00 O+0 HETATM 63 C UNK 0 6.636 -0.647 -2.287 0.00 0.00 C+0 HETATM 64 O UNK 0 5.628 -0.086 -2.747 0.00 0.00 O+0 HETATM 65 N UNK 0 7.900 -0.023 -2.430 0.00 0.00 N+0 HETATM 66 C UNK 0 8.320 1.199 -2.920 0.00 0.00 C+0 HETATM 67 C UNK 0 9.813 1.147 -3.280 0.00 0.00 C+0 HETATM 68 C UNK 0 8.388 2.107 -1.626 0.00 0.00 C+0 HETATM 69 C UNK 0 7.617 1.971 -3.962 0.00 0.00 C+0 HETATM 70 O UNK 0 7.171 1.331 -4.953 0.00 0.00 O+0 HETATM 71 N UNK 0 7.454 3.342 -3.830 0.00 0.00 N+0 HETATM 72 C UNK 0 6.840 4.399 -4.586 0.00 0.00 C+0 HETATM 73 C UNK 0 5.630 3.663 -5.336 0.00 0.00 C+0 HETATM 74 C UNK 0 6.184 5.293 -3.678 0.00 0.00 C+0 HETATM 75 O UNK 0 6.402 4.791 -2.400 0.00 0.00 O+0 HETATM 76 N UNK 0 5.428 6.440 -3.536 0.00 0.00 N+0 HETATM 77 C UNK 0 5.031 6.736 -2.114 0.00 0.00 C+0 HETATM 78 C UNK 0 4.725 8.091 -1.800 0.00 0.00 C+0 HETATM 79 C UNK 0 5.866 9.084 -1.954 0.00 0.00 C+0 HETATM 80 C UNK 0 6.369 9.135 -3.353 0.00 0.00 C+0 HETATM 81 C UNK 0 5.615 10.399 -1.293 0.00 0.00 C+0 HETATM 82 C UNK 0 3.908 5.727 -1.949 0.00 0.00 C+0 HETATM 83 O UNK 0 2.961 5.754 -2.746 0.00 0.00 O+0 HETATM 84 N UNK 0 4.030 4.747 -0.917 0.00 0.00 N+0 HETATM 85 C UNK 0 3.154 3.663 -0.796 0.00 0.00 C+0 HETATM 86 C UNK 0 2.985 3.067 -2.160 0.00 0.00 C+0 HETATM 87 C UNK 0 4.162 2.581 -0.077 0.00 0.00 C+0 HETATM 88 C UNK 0 2.040 3.517 0.116 0.00 0.00 C+0 HETATM 89 O UNK 0 1.789 4.497 0.874 0.00 0.00 O+0 HETATM 90 N UNK 0 1.330 2.284 0.122 0.00 0.00 N+0 HETATM 91 C UNK 0 0.648 1.127 0.147 0.00 0.00 C+0 HETATM 92 C UNK 0 -0.570 0.912 0.986 0.00 0.00 C+0 HETATM 93 C UNK 0 -1.767 1.729 0.904 0.00 0.00 C+0 HETATM 94 C UNK 0 -1.619 3.181 1.210 0.00 0.00 C+0 HETATM 95 N UNK 0 -2.034 3.636 2.469 0.00 0.00 N+0 HETATM 96 O UNK 0 -1.154 3.941 0.370 0.00 0.00 O+0 HETATM 97 C UNK 0 0.510 0.485 -1.196 0.00 0.00 C+0 HETATM 98 O UNK 0 1.462 0.461 -2.042 0.00 0.00 O+0 HETATM 99 N UNK 0 -0.693 -0.123 -1.606 0.00 0.00 N+0 HETATM 100 C UNK 0 -0.772 -0.690 -2.990 0.00 0.00 C+0 HETATM 101 C UNK 0 -1.951 0.051 -3.601 0.00 0.00 C+0 HETATM 102 O UNK 0 -1.690 1.435 -3.575 0.00 0.00 O+0 HETATM 103 C UNK 0 -0.945 -2.150 -2.839 0.00 0.00 C+0 HETATM 104 C UNK 0 -1.013 -2.973 -4.078 0.00 0.00 C+0 HETATM 105 C UNK 0 0.221 -2.862 -4.924 0.00 0.00 C+0 HETATM 106 C UNK 0 -2.245 -2.816 -4.903 0.00 0.00 C+0 HETATM 107 C UNK 0 -7.356 0.677 5.809 0.00 0.00 C+0 HETATM 108 C UNK 0 -7.370 0.315 7.249 0.00 0.00 C+0 HETATM 109 C UNK 0 -8.680 1.377 5.482 0.00 0.00 C+0 HETATM 110 H UNK 0 -6.015 7.816 2.024 0.00 0.00 H+0 HETATM 111 H UNK 0 -6.392 7.705 0.284 0.00 0.00 H+0 HETATM 112 H UNK 0 -4.845 7.024 0.925 0.00 0.00 H+0 HETATM 113 H UNK 0 -4.735 4.837 1.714 0.00 0.00 H+0 HETATM 114 H UNK 0 -7.387 3.469 1.758 0.00 0.00 H+0 HETATM 115 H UNK 0 -4.537 2.506 1.040 0.00 0.00 H+0 HETATM 116 H UNK 0 -5.903 2.896 -0.099 0.00 0.00 H+0 HETATM 117 H UNK 0 -4.409 -0.060 1.750 0.00 0.00 H+0 HETATM 118 H UNK 0 -5.969 -2.084 1.353 0.00 0.00 H+0 HETATM 119 H UNK 0 -8.584 -2.475 0.342 0.00 0.00 H+0 HETATM 120 H UNK 0 -10.535 -1.304 -0.593 0.00 0.00 H+0 HETATM 121 H UNK 0 -10.388 1.140 -0.826 0.00 0.00 H+0 HETATM 122 H UNK 0 -8.348 2.369 -0.132 0.00 0.00 H+0 HETATM 123 H UNK 0 -6.960 1.116 3.348 0.00 0.00 H+0 HETATM 124 H UNK 0 -6.247 2.515 5.856 0.00 0.00 H+0 HETATM 125 H UNK 0 -4.944 0.659 7.553 0.00 0.00 H+0 HETATM 126 H UNK 0 -3.249 0.380 9.133 0.00 0.00 H+0 HETATM 127 H UNK 0 -1.878 -0.701 8.614 0.00 0.00 H+0 HETATM 128 H UNK 0 -3.590 -1.319 8.574 0.00 0.00 H+0 HETATM 129 H UNK 0 -1.089 0.846 6.620 0.00 0.00 H+0 HETATM 130 H UNK 0 -2.470 1.995 6.188 0.00 0.00 H+0 HETATM 131 H UNK 0 -2.013 1.732 7.870 0.00 0.00 H+0 HETATM 132 H UNK 0 -0.728 -1.472 7.163 0.00 0.00 H+0 HETATM 133 H UNK 0 0.553 -4.332 5.310 0.00 0.00 H+0 HETATM 134 H UNK 0 0.264 -3.685 6.990 0.00 0.00 H+0 HETATM 135 H UNK 0 1.340 -2.837 5.812 0.00 0.00 H+0 HETATM 136 H UNK 0 -1.169 -1.725 3.467 0.00 0.00 H+0 HETATM 137 H UNK 0 0.213 -1.124 4.432 0.00 0.00 H+0 HETATM 138 H UNK 0 0.301 -2.713 3.527 0.00 0.00 H+0 HETATM 139 H UNK 0 -1.380 -3.667 2.960 0.00 0.00 H+0 HETATM 140 H UNK 0 -3.306 -5.678 4.020 0.00 0.00 H+0 HETATM 141 H UNK 0 -4.614 -3.608 3.572 0.00 0.00 H+0 HETATM 142 H UNK 0 -4.135 -3.807 1.781 0.00 0.00 H+0 HETATM 143 H UNK 0 -5.057 -5.070 2.651 0.00 0.00 H+0 HETATM 144 H UNK 0 -4.016 -5.549 0.824 0.00 0.00 H+0 HETATM 145 H UNK 0 -2.908 -7.705 -0.185 0.00 0.00 H+0 HETATM 146 H UNK 0 -4.408 -5.872 -1.189 0.00 0.00 H+0 HETATM 147 H UNK 0 -2.995 -4.878 -1.519 0.00 0.00 H+0 HETATM 148 H UNK 0 -3.616 -7.573 -2.913 0.00 0.00 H+0 HETATM 149 H UNK 0 -2.178 -6.548 -3.279 0.00 0.00 H+0 HETATM 150 H UNK 0 -4.697 -5.346 -5.739 0.00 0.00 H+0 HETATM 151 H UNK 0 -4.230 -7.038 -5.460 0.00 0.00 H+0 HETATM 152 H UNK 0 -0.412 -5.867 -2.302 0.00 0.00 H+0 HETATM 153 H UNK 0 1.364 -6.830 -0.162 0.00 0.00 H+0 HETATM 154 H UNK 0 1.284 -8.835 -1.046 0.00 0.00 H+0 HETATM 155 H UNK 0 2.557 -8.104 -2.099 0.00 0.00 H+0 HETATM 156 H UNK 0 0.869 -8.236 -2.727 0.00 0.00 H+0 HETATM 157 H UNK 0 3.907 -6.825 -1.359 0.00 0.00 H+0 HETATM 158 H UNK 0 5.088 -5.057 -4.508 0.00 0.00 H+0 HETATM 159 H UNK 0 3.927 -3.749 -4.045 0.00 0.00 H+0 HETATM 160 H UNK 0 3.396 -5.482 -4.205 0.00 0.00 H+0 HETATM 161 H UNK 0 6.615 -5.435 -2.985 0.00 0.00 H+0 HETATM 162 H UNK 0 5.477 -6.914 -2.916 0.00 0.00 H+0 HETATM 163 H UNK 0 6.049 -6.162 -1.391 0.00 0.00 H+0 HETATM 164 H UNK 0 6.311 -3.370 -3.166 0.00 0.00 H+0 HETATM 165 H UNK 0 5.899 -1.742 -0.617 0.00 0.00 H+0 HETATM 166 H UNK 0 8.554 -2.693 -1.800 0.00 0.00 H+0 HETATM 167 H UNK 0 8.331 -1.458 -0.414 0.00 0.00 H+0 HETATM 168 H UNK 0 7.568 -2.984 0.822 0.00 0.00 H+0 HETATM 169 H UNK 0 8.722 -0.665 -2.099 0.00 0.00 H+0 HETATM 170 H UNK 0 9.966 0.207 -3.827 0.00 0.00 H+0 HETATM 171 H UNK 0 10.461 1.247 -2.428 0.00 0.00 H+0 HETATM 172 H UNK 0 10.022 1.951 -4.039 0.00 0.00 H+0 HETATM 173 H UNK 0 7.386 2.480 -1.429 0.00 0.00 H+0 HETATM 174 H UNK 0 9.132 2.885 -1.750 0.00 0.00 H+0 HETATM 175 H UNK 0 8.777 1.443 -0.797 0.00 0.00 H+0 HETATM 176 H UNK 0 7.904 3.749 -2.923 0.00 0.00 H+0 HETATM 177 H UNK 0 7.429 4.818 -5.413 0.00 0.00 H+0 HETATM 178 H UNK 0 5.961 3.381 -6.329 0.00 0.00 H+0 HETATM 179 H UNK 0 4.895 4.469 -5.451 0.00 0.00 H+0 HETATM 180 H UNK 0 5.306 2.899 -4.662 0.00 0.00 H+0 HETATM 181 H UNK 0 5.116 7.041 -4.290 0.00 0.00 H+0 HETATM 182 H UNK 0 5.902 6.352 -1.521 0.00 0.00 H+0 HETATM 183 H UNK 0 4.370 8.231 -0.727 0.00 0.00 H+0 HETATM 184 H UNK 0 3.849 8.523 -2.376 0.00 0.00 H+0 HETATM 185 H UNK 0 6.722 8.576 -1.351 0.00 0.00 H+0 HETATM 186 H UNK 0 5.619 9.292 -4.108 0.00 0.00 H+0 HETATM 187 H UNK 0 6.949 8.226 -3.562 0.00 0.00 H+0 HETATM 188 H UNK 0 7.164 9.949 -3.388 0.00 0.00 H+0 HETATM 189 H UNK 0 4.561 10.655 -1.133 0.00 0.00 H+0 HETATM 190 H UNK 0 6.109 11.246 -1.840 0.00 0.00 H+0 HETATM 191 H UNK 0 6.095 10.411 -0.275 0.00 0.00 H+0 HETATM 192 H UNK 0 4.839 4.920 -0.228 0.00 0.00 H+0 HETATM 193 H UNK 0 3.521 3.672 -2.964 0.00 0.00 H+0 HETATM 194 H UNK 0 3.444 2.063 -2.264 0.00 0.00 H+0 HETATM 195 H UNK 0 1.937 3.094 -2.457 0.00 0.00 H+0 HETATM 196 H UNK 0 3.762 1.638 -0.399 0.00 0.00 H+0 HETATM 197 H UNK 0 4.057 2.745 1.003 0.00 0.00 H+0 HETATM 198 H UNK 0 5.171 2.857 -0.394 0.00 0.00 H+0 HETATM 199 H UNK 0 0.856 2.601 1.361 0.00 0.00 H+0 HETATM 200 H UNK 0 1.360 0.294 0.681 0.00 0.00 H+0 HETATM 201 H UNK 0 -0.822 -0.193 0.881 0.00 0.00 H+0 HETATM 202 H UNK 0 -0.244 0.924 2.091 0.00 0.00 H+0 HETATM 203 H UNK 0 -2.482 1.334 1.715 0.00 0.00 H+0 HETATM 204 H UNK 0 -2.373 1.605 -0.034 0.00 0.00 H+0 HETATM 205 H UNK 0 -2.729 4.386 2.573 0.00 0.00 H+0 HETATM 206 H UNK 0 -1.671 3.245 3.395 0.00 0.00 H+0 HETATM 207 H UNK 0 -1.498 -0.202 -0.988 0.00 0.00 H+0 HETATM 208 H UNK 0 0.147 -0.381 -3.476 0.00 0.00 H+0 HETATM 209 H UNK 0 -2.182 -0.299 -4.593 0.00 0.00 H+0 HETATM 210 H UNK 0 -2.869 -0.094 -2.973 0.00 0.00 H+0 HETATM 211 H UNK 0 -1.256 1.725 -4.391 0.00 0.00 H+0 HETATM 212 H UNK 0 -1.865 -2.308 -2.196 0.00 0.00 H+0 HETATM 213 H UNK 0 -0.103 -2.503 -2.177 0.00 0.00 H+0 HETATM 214 H UNK 0 -1.039 -4.049 -3.726 0.00 0.00 H+0 HETATM 215 H UNK 0 -0.024 -2.204 -5.781 0.00 0.00 H+0 HETATM 216 H UNK 0 1.120 -2.553 -4.392 0.00 0.00 H+0 HETATM 217 H UNK 0 0.454 -3.841 -5.402 0.00 0.00 H+0 HETATM 218 H UNK 0 -3.138 -2.445 -4.418 0.00 0.00 H+0 HETATM 219 H UNK 0 -1.961 -2.255 -5.855 0.00 0.00 H+0 HETATM 220 H UNK 0 -2.567 -3.818 -5.351 0.00 0.00 H+0 HETATM 221 H UNK 0 -7.360 -0.300 5.176 0.00 0.00 H+0 HETATM 222 H UNK 0 -8.450 0.081 7.579 0.00 0.00 H+0 HETATM 223 H UNK 0 -7.120 1.160 7.931 0.00 0.00 H+0 HETATM 224 H UNK 0 -6.826 -0.618 7.487 0.00 0.00 H+0 HETATM 225 H UNK 0 -8.780 1.554 4.387 0.00 0.00 H+0 HETATM 226 H UNK 0 -8.637 2.367 5.960 0.00 0.00 H+0 HETATM 227 H UNK 0 -9.539 0.814 5.859 0.00 0.00 H+0 CONECT 1 2 110 111 112 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 113 CONECT 5 4 6 16 114 CONECT 6 5 7 115 116 CONECT 7 6 8 15 CONECT 8 7 9 117 CONECT 9 8 10 118 CONECT 10 9 11 15 CONECT 11 10 12 119 CONECT 12 11 13 120 CONECT 13 12 14 121 CONECT 14 13 15 122 CONECT 15 14 7 10 CONECT 16 5 17 18 CONECT 17 16 CONECT 18 16 19 123 CONECT 19 18 20 107 124 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 23 125 CONECT 23 22 24 25 26 CONECT 24 23 126 127 128 CONECT 25 23 129 130 131 CONECT 26 23 27 28 CONECT 27 26 CONECT 28 26 29 132 CONECT 29 28 30 31 32 CONECT 30 29 133 134 135 CONECT 31 29 136 137 138 CONECT 32 29 33 34 CONECT 33 32 CONECT 34 32 35 139 CONECT 35 34 36 37 140 CONECT 36 35 141 142 143 CONECT 37 35 38 39 CONECT 38 37 CONECT 39 37 40 144 CONECT 40 39 41 46 145 CONECT 41 40 42 146 147 CONECT 42 41 43 148 149 CONECT 43 42 44 45 CONECT 44 43 150 151 CONECT 45 43 CONECT 46 40 47 48 CONECT 47 46 CONECT 48 46 49 152 CONECT 49 48 50 51 153 CONECT 50 49 154 155 156 CONECT 51 49 52 53 CONECT 52 51 CONECT 53 51 54 157 CONECT 54 53 55 56 57 CONECT 55 54 158 159 160 CONECT 56 54 161 162 163 CONECT 57 54 58 59 CONECT 58 57 CONECT 59 57 60 164 CONECT 60 59 61 63 165 CONECT 61 60 62 166 167 CONECT 62 61 168 CONECT 63 60 64 65 CONECT 64 63 CONECT 65 63 66 169 CONECT 66 65 67 68 69 CONECT 67 66 170 171 172 CONECT 68 66 173 174 175 CONECT 69 66 70 71 CONECT 70 69 CONECT 71 69 72 176 CONECT 72 71 73 74 177 CONECT 73 72 178 179 180 CONECT 74 72 75 76 CONECT 75 74 CONECT 76 74 77 181 CONECT 77 76 78 82 182 CONECT 78 77 79 183 184 CONECT 79 78 80 81 185 CONECT 80 79 186 187 188 CONECT 81 79 189 190 191 CONECT 82 77 83 84 CONECT 83 82 CONECT 84 82 85 192 CONECT 85 84 86 87 88 CONECT 86 85 193 194 195 CONECT 87 85 196 197 198 CONECT 88 85 89 90 CONECT 89 88 CONECT 90 88 91 199 CONECT 91 90 92 97 200 CONECT 92 91 93 201 202 CONECT 93 92 94 203 204 CONECT 94 93 95 96 CONECT 95 94 205 206 CONECT 96 94 CONECT 97 91 98 99 CONECT 98 97 CONECT 99 97 100 207 CONECT 100 99 101 103 208 CONECT 101 100 102 209 210 CONECT 102 101 211 CONECT 103 100 104 212 213 CONECT 104 103 105 106 214 CONECT 105 104 215 216 217 CONECT 106 104 218 219 220 CONECT 107 19 108 109 221 CONECT 108 107 222 223 224 CONECT 109 107 225 226 227 CONECT 110 1 CONECT 111 1 CONECT 112 1 CONECT 113 4 CONECT 114 5 CONECT 115 6 CONECT 116 6 CONECT 117 8 CONECT 118 9 CONECT 119 11 CONECT 120 12 CONECT 121 13 CONECT 122 14 CONECT 123 18 CONECT 124 19 CONECT 125 22 CONECT 126 24 CONECT 127 24 CONECT 128 24 CONECT 129 25 CONECT 130 25 CONECT 131 25 CONECT 132 28 CONECT 133 30 CONECT 134 30 CONECT 135 30 CONECT 136 31 CONECT 137 31 CONECT 138 31 CONECT 139 34 CONECT 140 35 CONECT 141 36 CONECT 142 36 CONECT 143 36 CONECT 144 39 CONECT 145 40 CONECT 146 41 CONECT 147 41 CONECT 148 42 CONECT 149 42 CONECT 150 44 CONECT 151 44 CONECT 152 48 CONECT 153 49 CONECT 154 50 CONECT 155 50 CONECT 156 50 CONECT 157 53 CONECT 158 55 CONECT 159 55 CONECT 160 55 CONECT 161 56 CONECT 162 56 CONECT 163 56 CONECT 164 59 CONECT 165 60 CONECT 166 61 CONECT 167 61 CONECT 168 62 CONECT 169 65 CONECT 170 67 CONECT 171 67 CONECT 172 67 CONECT 173 68 CONECT 174 68 CONECT 175 68 CONECT 176 71 CONECT 177 72 CONECT 178 73 CONECT 179 73 CONECT 180 73 CONECT 181 76 CONECT 182 77 CONECT 183 78 CONECT 184 78 CONECT 185 79 CONECT 186 80 CONECT 187 80 CONECT 188 80 CONECT 189 81 CONECT 190 81 CONECT 191 81 CONECT 192 84 CONECT 193 86 CONECT 194 86 CONECT 195 86 CONECT 196 87 CONECT 197 87 CONECT 198 87 CONECT 199 90 CONECT 200 91 CONECT 201 92 CONECT 202 92 CONECT 203 93 CONECT 204 93 CONECT 205 95 CONECT 206 95 CONECT 207 99 CONECT 208 100 CONECT 209 101 CONECT 210 101 CONECT 211 102 CONECT 212 103 CONECT 213 103 CONECT 214 104 CONECT 215 105 CONECT 216 105 CONECT 217 105 CONECT 218 106 CONECT 219 106 CONECT 220 106 CONECT 221 107 CONECT 222 108 CONECT 223 108 CONECT 224 108 CONECT 225 109 CONECT 226 109 CONECT 227 109 MASTER 0 0 0 0 0 0 0 0 227 0 456 0 END SMILES for NP0003141 (Tylopeptin B)[H]OC([H])([H])[C@]([H])(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0003141 (Tylopeptin B)InChI=1S/C72H118N18O19/c1-35(2)29-43(33-91)80-58(100)47(26-28-52(74)95)83-65(107)70(15,16)87-60(102)48(30-36(3)4)82-55(97)39(8)77-63(105)68(11,12)88-61(103)50(34-92)84-66(108)69(13,14)86-56(98)40(9)76-57(99)46(25-27-51(73)94)81-54(96)38(7)78-64(106)71(17,18)90-67(109)72(19,20)89-62(104)53(37(5)6)85-59(101)49(79-41(10)93)31-42-32-75-45-24-22-21-23-44(42)45/h21-24,32,35-40,43,46-50,53,75,91-92H,25-31,33-34H2,1-20H3,(H2,73,94)(H2,74,95)(H,76,99)(H,77,105)(H,78,106)(H,79,93)(H,80,100)(H,81,96)(H,82,97)(H,83,107)(H,84,108)(H,85,101)(H,86,98)(H,87,102)(H,88,103)(H,89,104)(H,90,109)/t38-,39-,40-,43-,46-,47-,48-,49-,50-,53-/m0/s1 3D Structure for NP0003141 (Tylopeptin B) | ||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| ||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-acetamido-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)propanamido]butanamido]propanamido]-2-methylpropanamido}-3-hydroxypropanamido]-2-methylpropanamido}propanamido]-4-methylpentanamido]-2-methylpropanamido}-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediamide | ||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-acetamido-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)propanamido]butanamido]propanamido]-2-methylpropanamido}-3-hydroxypropanamido]-2-methylpropanamido}propanamido]-4-methylpentanamido]-2-methylpropanamido}-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediamide | ||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(C)C[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](CO)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(C)=O)C(C)C | ||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C72H118N18O19/c1-35(2)29-43(33-91)80-58(100)47(26-28-52(74)95)83-65(107)70(15,16)87-60(102)48(30-36(3)4)82-55(97)39(8)77-63(105)68(11,12)88-61(103)50(34-92)84-66(108)69(13,14)86-56(98)40(9)76-57(99)46(25-27-51(73)94)81-54(96)38(7)78-64(106)71(17,18)90-67(109)72(19,20)89-62(104)53(37(5)6)85-59(101)49(79-41(10)93)31-42-32-75-45-24-22-21-23-44(42)45/h21-24,32,35-40,43,46-50,53,75,91-92H,25-31,33-34H2,1-20H3,(H2,73,94)(H2,74,95)(H,76,99)(H,77,105)(H,78,106)(H,79,93)(H,80,100)(H,81,96)(H,82,97)(H,83,107)(H,84,108)(H,85,101)(H,86,98)(H,87,102)(H,88,103)(H,89,104)(H,90,109)/t38-,39-,40-,43-,46-,47-,48-,49-,50-,53-/m0/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | KAKBBMJKOKAIHQ-LPVJTGJPSA-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 | NPA016882 | ||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 8617009 | ||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 10441590 | ||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| ||||||||||||||||||||||||||||||||||||||||||||||||
