Showing NP-Card for Plantaricin W (NP0003627)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 00:49:25 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:46:56 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0003627 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Plantaricin W | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Plantaricin W is found in Lactobacillus. Plantaricin W was first documented in 2001 (PMID: 11238971). Based on a literature review very few articles have been published on 2-[(6-amino-2-{[2-({2-[(2-{[2-({6-amino-2-[(2-{[2-amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-1,3-dihydroxybutylidene)amino]-1-hydroxyhexylidene}amino)-1,3-dihydroxybutylidene]amino}-1,3-dihydroxypropylidene)amino]-5-carbamimidamido-1-hydroxypentylidene}amino)-5-carbamimidamido-1-hydroxypentylidene]amino}-1-hydroxyhexylidene)amino]-N-[1-({1-[(1-{[2-(C-hydroxycarbonimidoyl)-1-{[2-(4-hydroxyphenyl)-1-[(4-methyl-1-oxopentan-2-yl)-C-hydroxycarbonimidoyl]ethyl]-C-hydroxycarbonimidoyl}ethyl]-C-hydroxycarbonimidoyl}ethyl)-C-hydroxycarbonimidoyl]-2-methylbutyl}-C-hydroxycarbonimidoyl)ethyl]butanediimidic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0003627 (Plantaricin W)
Mrv1652307012117103D
253253 0 0 0 0 999 V2000
-5.2442 6.9068 1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1277 6.0864 1.2635 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3693 5.2588 2.2147 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.4066 4.2850 2.8275 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6567 5.9242 3.3776 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0294 4.8592 4.1562 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4684 4.1030 5.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5752 4.1849 5.7786 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5344 3.0489 5.7630 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0522 3.4545 7.1526 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2063 1.7723 5.9232 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8348 0.6980 5.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0083 0.9266 4.1488 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4298 -0.6701 5.1565 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.8354 -0.6262 4.6687 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.7554 0.2711 5.3526 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4597 -0.2142 6.4901 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9746 1.4779 4.9958 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7249 -1.6282 4.3595 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3477 -1.7894 4.1531 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 -0.9960 4.6498 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2106 -2.9023 3.3479 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8675 -3.8048 2.8718 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3307 -4.9592 2.0648 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4512 -5.8653 1.5700 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.8598 -7.0008 0.7440 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0761 -7.8001 1.5121 N 0 0 2 0 0 0 0 0 0 0 0 0
1.1521 -2.6494 2.3593 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5115 -2.1512 2.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9422 -1.7901 3.5021 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2584 -2.1297 1.1349 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1804 -3.3970 1.1074 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1191 -3.3385 2.2738 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0365 -4.5259 2.3501 C 0 0 1 0 0 0 0 0 0 0 0 0
6.9538 -4.4246 3.4674 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4905 -4.4964 4.7983 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2394 -4.5541 5.1003 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4792 -4.5116 5.8340 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1492 -1.0593 0.7738 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9730 -0.4638 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9389 -0.9741 -1.1319 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6881 0.5512 -1.2383 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4139 1.6232 -0.5793 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6112 1.4579 0.2552 C 0 0 1 0 0 0 0 0 0 0 0 0
7.8676 1.0533 -0.3930 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0386 -0.1932 -1.0475 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2275 -0.3343 -1.8708 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1198 -1.1155 -1.6694 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3325 0.5499 -3.0282 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1308 1.0096 -2.4997 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5627 0.2723 -3.5488 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4188 -0.9868 -3.4499 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1052 0.8674 -4.8058 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1431 0.2368 -5.8550 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9541 -1.1252 -5.9050 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8122 0.6423 -5.2864 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2455 0.0100 -6.3988 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9606 -0.6141 -7.2129 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2076 0.0392 -6.7008 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9331 -1.1293 -6.9491 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5588 -2.3842 -7.3977 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6004 -2.7742 -7.6494 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -3.4475 -7.6361 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6215 -3.5686 -9.1525 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9299 -2.3074 -9.8619 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3179 -1.8314 -9.5548 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.3561 -2.8614 -9.9803 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.6838 -2.3240 -9.6932 N 0 0 2 0 0 0 0 0 0 0 0 0
-1.3709 -4.7138 -7.0290 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9869 -5.1471 -5.8195 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7720 -4.3249 -5.2735 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8076 -6.4406 -5.1534 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4681 -6.5137 -3.8723 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4304 -7.5287 -3.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6996 -8.3457 -4.5074 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0711 -7.5799 -2.2707 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6359 -6.4759 -1.4341 N 0 0 1 0 0 0 0 0 0 0 0 0
-5.5590 -7.6532 -2.2670 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.0685 -7.6959 -0.8161 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.8492 -7.8179 -0.8096 S 0 0 0 0 0 0 0 0 0 0 0 0
-8.5640 -6.2834 -1.4474 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3248 -6.7248 -4.8496 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2041 -8.1429 -4.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4602 -6.6566 -5.9981 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9712 1.1731 -6.1207 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1080 1.5520 -7.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1954 2.3211 -5.9520 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5571 6.8413 2.9285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4488 6.6140 3.4952 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6810 7.8249 1.9891 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7111 8.7048 1.4055 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.2306 9.6573 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3520 7.8292 0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9218 7.0855 1.6294 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7188 7.7304 -0.5537 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7523 6.7008 -0.8529 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8264 6.3046 -2.2460 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1570 7.4601 -3.1053 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1783 7.3419 -4.5059 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4174 8.5574 -2.5681 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2428 5.4968 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1001 5.5496 0.4032 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1119 4.4353 0.2437 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8055 3.3402 1.1276 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4171 2.9093 1.2309 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2546 2.3068 0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9584 2.8905 -0.9033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6149 2.1503 -1.9009 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5711 0.7774 -1.9096 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 -0.0234 -2.8461 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 0.1425 -0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2330 0.9047 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5068 3.5581 2.4161 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3382 4.5485 2.3868 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4110 2.8783 3.6332 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2907 3.3448 4.7681 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6875 2.1683 5.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2540 1.0332 5.2147 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4136 4.2572 5.5832 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0218 4.9218 6.7534 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9095 5.8131 7.3685 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5039 4.0654 7.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9290 7.3480 2.8724 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1268 6.2833 2.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5906 7.7137 1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6111 6.5406 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7569 5.2713 0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6275 4.6407 1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1667 4.0459 2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9445 4.8471 3.5992 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9222 3.4170 3.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3849 6.4339 3.9643 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0279 4.6463 3.7800 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6672 2.9937 5.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5888 4.4434 7.0423 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8930 3.4353 7.8434 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 2.6724 7.4158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9058 1.6466 6.6524 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3199 -0.9382 6.2533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2693 -1.6666 4.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8422 -0.2741 3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0658 -0.1251 7.4309 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4071 -0.6718 6.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3385 -2.3467 3.8372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7759 -3.5663 4.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5228 -4.1960 3.7081 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5394 -3.1973 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3018 -5.5482 2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3465 -4.6688 1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1399 -5.3131 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9640 -6.2745 2.4439 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3904 -6.6159 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6929 -7.6766 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0566 -7.6741 2.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0375 -7.4360 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8302 -2.8348 1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5370 -2.3281 0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5636 -4.3072 1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7690 -3.4086 0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7900 -2.4390 2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5965 -3.2645 3.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3679 -5.4219 2.5568 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5317 -4.7775 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9562 -4.3049 3.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9948 -4.6062 6.1272 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2135 -4.8828 6.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4469 -4.1674 5.6889 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8514 -0.8092 1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5807 -0.1166 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7482 2.3832 -1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6999 2.3267 -0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7700 2.4142 0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3834 0.7157 1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6889 1.0920 0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1892 1.8793 -1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4401 -1.0175 -0.9989 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2440 -1.8249 -0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1912 1.1043 -3.1336 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5773 0.6134 -3.7243 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1620 2.0812 -2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4058 1.9212 -4.8974 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0556 0.7803 -6.7870 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1170 0.4455 -5.3949 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7141 -1.4833 -6.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0417 1.0549 -4.6035 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0792 0.4376 -7.8529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0124 -1.0463 -6.7384 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5569 -3.0234 -7.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2838 -4.3694 -9.5243 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5584 -3.8443 -9.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8315 -2.3952 -10.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2497 -1.4608 -9.5095 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5338 -0.8390 -10.0089 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4709 -1.6900 -8.4715 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1940 -3.7946 -9.4207 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2211 -3.0708 -11.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3411 -3.1113 -9.5356 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0242 -1.7526 -10.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7110 -5.3736 -7.4866 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2147 -7.2871 -5.7661 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2218 -5.7981 -3.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7033 -8.5046 -1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1803 -5.6171 -1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6680 -6.6711 -0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0406 -6.7466 -2.7037 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9268 -8.5175 -2.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6594 -6.8676 -0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6667 -8.6509 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9785 -5.4262 -1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6253 -6.2390 -1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5792 -6.3076 -2.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0958 -6.0441 -4.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8688 -8.8430 -4.8287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8343 -8.4880 -4.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3814 -8.1589 -3.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 -6.0266 -5.8485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4439 0.9805 -5.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0563 1.0790 -6.6954 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8608 1.3020 -8.0972 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2807 2.6536 -6.9889 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6861 2.9490 -5.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6743 8.0317 1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1282 9.2356 2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3355 9.8678 0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7070 10.6708 0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1461 9.3632 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3776 8.2615 -1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7120 6.9657 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8525 5.8390 -2.5422 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5731 5.4718 -2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8361 6.4606 -4.9772 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5250 8.0971 -5.1438 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0645 4.4416 -0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4218 2.4677 0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1869 3.7816 1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4063 2.1195 2.0756 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0607 3.9463 -0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1565 2.6433 -2.6644 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1536 -1.0129 -2.8399 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7997 -0.9318 -0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3193 0.3700 0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8114 2.0807 3.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1447 3.9089 4.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3357 2.1488 6.3894 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0608 5.0511 4.8799 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5361 3.6594 5.9633 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8466 5.6277 6.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3806 6.7546 7.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1407 6.0568 6.6317 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4262 5.2987 8.2248 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9182 3.1477 7.9867 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6096 3.9212 7.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2776 4.6332 8.8444 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
3 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
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 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
16 17 1 0 0 0 0
16 18 2 0 0 0 0
14 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
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
22 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
31 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
42 50 1 0 0 0 0
50 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
53 56 1 0 0 0 0
56 57 1 0 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 2 0 0 0 0
61 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
63 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 2 0 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 2 0 0 0 0
74 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
72 82 1 0 0 0 0
82 83 1 0 0 0 0
82 84 1 0 0 0 0
59 85 1 0 0 0 0
85 86 1 0 0 0 0
85 87 1 0 0 0 0
5 88 1 0 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
91 93 1 0 0 0 0
93 94 2 0 0 0 0
93 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
97 98 1 0 0 0 0
98 99 1 0 0 0 0
98100 2 0 0 0 0
96101 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
105106 1 0 0 0 0
106107 2 0 0 0 0
107108 1 0 0 0 0
108109 2 0 0 0 0
109110 1 0 0 0 0
109111 1 0 0 0 0
111112 2 0 0 0 0
104113 1 0 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
117118 2 0 0 0 0
116119 1 0 0 0 0
119120 1 0 0 0 0
120121 1 0 0 0 0
120122 1 0 0 0 0
112106 1 0 0 0 0
1123 1 0 0 0 0
1124 1 0 0 0 0
1125 1 0 0 0 0
2126 1 0 0 0 0
2127 1 0 0 0 0
3128 1 6 0 0 0
4129 1 0 0 0 0
4130 1 0 0 0 0
4131 1 0 0 0 0
5132 1 1 0 0 0
6133 1 0 0 0 0
9134 1 6 0 0 0
10135 1 0 0 0 0
10136 1 0 0 0 0
10137 1 0 0 0 0
11138 1 0 0 0 0
14139 1 1 0 0 0
15140 1 0 0 0 0
15141 1 0 0 0 0
17142 1 0 0 0 0
17143 1 0 0 0 0
19144 1 0 0 0 0
22145 1 1 0 0 0
23146 1 0 0 0 0
23147 1 0 0 0 0
24148 1 0 0 0 0
24149 1 0 0 0 0
25150 1 0 0 0 0
25151 1 0 0 0 0
26152 1 0 0 0 0
26153 1 0 0 0 0
27154 1 0 0 0 0
27155 1 0 0 0 0
28156 1 0 0 0 0
31157 1 6 0 0 0
32158 1 0 0 0 0
32159 1 0 0 0 0
33160 1 0 0 0 0
33161 1 0 0 0 0
34162 1 0 0 0 0
34163 1 0 0 0 0
35164 1 0 0 0 0
37165 1 0 0 0 0
38166 1 0 0 0 0
38167 1 0 0 0 0
39168 1 0 0 0 0
42169 1 6 0 0 0
43170 1 0 0 0 0
43171 1 0 0 0 0
44172 1 0 0 0 0
44173 1 0 0 0 0
45174 1 0 0 0 0
45175 1 0 0 0 0
46176 1 0 0 0 0
48177 1 0 0 0 0
49178 1 0 0 0 0
49179 1 0 0 0 0
50180 1 0 0 0 0
53181 1 1 0 0 0
54182 1 0 0 0 0
54183 1 0 0 0 0
55184 1 0 0 0 0
56185 1 0 0 0 0
59186 1 6 0 0 0
60187 1 0 0 0 0
63188 1 1 0 0 0
64189 1 0 0 0 0
64190 1 0 0 0 0
65191 1 0 0 0 0
65192 1 0 0 0 0
66193 1 0 0 0 0
66194 1 0 0 0 0
67195 1 0 0 0 0
67196 1 0 0 0 0
68197 1 0 0 0 0
68198 1 0 0 0 0
69199 1 0 0 0 0
72200 1 6 0 0 0
73201 1 0 0 0 0
76202 1 1 0 0 0
77203 1 0 0 0 0
77204 1 0 0 0 0
78205 1 0 0 0 0
78206 1 0 0 0 0
79207 1 0 0 0 0
79208 1 0 0 0 0
81209 1 0 0 0 0
81210 1 0 0 0 0
81211 1 0 0 0 0
82212 1 1 0 0 0
83213 1 0 0 0 0
83214 1 0 0 0 0
83215 1 0 0 0 0
84216 1 0 0 0 0
85217 1 1 0 0 0
86218 1 0 0 0 0
86219 1 0 0 0 0
86220 1 0 0 0 0
87221 1 0 0 0 0
90222 1 0 0 0 0
91223 1 1 0 0 0
92224 1 0 0 0 0
92225 1 0 0 0 0
92226 1 0 0 0 0
95227 1 0 0 0 0
96228 1 1 0 0 0
97229 1 0 0 0 0
97230 1 0 0 0 0
99231 1 0 0 0 0
99232 1 0 0 0 0
103233 1 0 0 0 0
104234 1 6 0 0 0
105235 1 0 0 0 0
105236 1 0 0 0 0
107237 1 0 0 0 0
108238 1 0 0 0 0
110239 1 0 0 0 0
111240 1 0 0 0 0
112241 1 0 0 0 0
115242 1 0 0 0 0
116243 1 6 0 0 0
117244 1 0 0 0 0
119245 1 0 0 0 0
119246 1 0 0 0 0
120247 1 6 0 0 0
121248 1 0 0 0 0
121249 1 0 0 0 0
121250 1 0 0 0 0
122251 1 0 0 0 0
122252 1 0 0 0 0
122253 1 0 0 0 0
M END
3D MOL for NP0003627 (Plantaricin W)
RDKit 3D
253253 0 0 0 0 0 0 0 0999 V2000
-5.2442 6.9068 1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1277 6.0864 1.2635 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3693 5.2588 2.2147 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.4066 4.2850 2.8275 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6567 5.9242 3.3776 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0294 4.8592 4.1562 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4684 4.1030 5.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5752 4.1849 5.7786 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5344 3.0489 5.7630 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0522 3.4545 7.1526 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2063 1.7723 5.9232 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8348 0.6980 5.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0083 0.9266 4.1488 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4298 -0.6701 5.1565 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.8354 -0.6262 4.6687 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7554 0.2711 5.3526 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4597 -0.2142 6.4901 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9746 1.4779 4.9958 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7249 -1.6282 4.3595 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3477 -1.7894 4.1531 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 -0.9960 4.6498 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2106 -2.9023 3.3479 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8675 -3.8048 2.8718 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3307 -4.9592 2.0648 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4512 -5.8653 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8598 -7.0008 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0761 -7.8001 1.5121 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1521 -2.6494 2.3593 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5115 -2.1512 2.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9422 -1.7901 3.5021 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2584 -2.1297 1.1349 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1804 -3.3970 1.1074 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1191 -3.3385 2.2738 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0365 -4.5259 2.3501 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9538 -4.4246 3.4674 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4905 -4.4964 4.7983 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2394 -4.5541 5.1003 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4792 -4.5116 5.8340 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1492 -1.0593 0.7738 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9730 -0.4638 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9389 -0.9741 -1.1319 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6881 0.5512 -1.2383 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4139 1.6232 -0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6112 1.4579 0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8676 1.0533 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0386 -0.1932 -1.0475 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2275 -0.3343 -1.8708 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1198 -1.1155 -1.6694 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3325 0.5499 -3.0282 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1308 1.0096 -2.4997 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5627 0.2723 -3.5488 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4188 -0.9868 -3.4499 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1052 0.8674 -4.8058 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1431 0.2368 -5.8550 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9541 -1.1252 -5.9050 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8122 0.6423 -5.2864 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2455 0.0100 -6.3988 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9606 -0.6141 -7.2129 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2076 0.0392 -6.7008 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9331 -1.1293 -6.9491 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5588 -2.3842 -7.3977 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6004 -2.7742 -7.6494 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -3.4475 -7.6361 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6215 -3.5686 -9.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9299 -2.3074 -9.8619 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3179 -1.8314 -9.5548 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3561 -2.8614 -9.9803 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6838 -2.3240 -9.6932 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3709 -4.7138 -7.0290 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9869 -5.1471 -5.8195 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7720 -4.3249 -5.2735 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8076 -6.4406 -5.1534 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4681 -6.5137 -3.8723 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4304 -7.5287 -3.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6996 -8.3457 -4.5074 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0711 -7.5799 -2.2707 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6359 -6.4759 -1.4341 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5590 -7.6532 -2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0685 -7.6959 -0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8492 -7.8179 -0.8096 S 0 0 0 0 0 0 0 0 0 0 0 0
-8.5640 -6.2834 -1.4474 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3248 -6.7248 -4.8496 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2041 -8.1429 -4.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4602 -6.6566 -5.9981 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9712 1.1731 -6.1207 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1080 1.5520 -7.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1954 2.3211 -5.9520 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5571 6.8413 2.9285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4488 6.6140 3.4952 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6810 7.8249 1.9891 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7111 8.7048 1.4055 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.2306 9.6573 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3520 7.8292 0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9218 7.0855 1.6294 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7188 7.7304 -0.5537 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7523 6.7008 -0.8529 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8264 6.3046 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1570 7.4601 -3.1053 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1783 7.3419 -4.5059 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4174 8.5574 -2.5681 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2428 5.4968 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1001 5.5496 0.4032 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1119 4.4353 0.2437 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8055 3.3402 1.1276 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4171 2.9093 1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2546 2.3068 0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9584 2.8905 -0.9033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6149 2.1503 -1.9009 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5711 0.7774 -1.9096 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 -0.0234 -2.8461 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 0.1425 -0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2330 0.9047 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5068 3.5581 2.4161 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3382 4.5485 2.3868 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4110 2.8783 3.6332 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2907 3.3448 4.7681 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6875 2.1683 5.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2540 1.0332 5.2147 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4136 4.2572 5.5832 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0218 4.9218 6.7534 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9095 5.8131 7.3685 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5039 4.0654 7.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9290 7.3480 2.8724 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1268 6.2833 2.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5906 7.7137 1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6111 6.5406 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7569 5.2713 0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6275 4.6407 1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1667 4.0459 2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9445 4.8471 3.5992 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9222 3.4170 3.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3849 6.4339 3.9643 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0279 4.6463 3.7800 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6672 2.9937 5.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5888 4.4434 7.0423 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8930 3.4353 7.8434 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 2.6724 7.4158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9058 1.6466 6.6524 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3199 -0.9382 6.2533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2693 -1.6666 4.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8422 -0.2741 3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0658 -0.1251 7.4309 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4071 -0.6718 6.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3385 -2.3467 3.8372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7759 -3.5663 4.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5228 -4.1960 3.7081 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5394 -3.1973 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3018 -5.5482 2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3465 -4.6688 1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1399 -5.3131 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9640 -6.2745 2.4439 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3904 -6.6159 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6929 -7.6766 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0566 -7.6741 2.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0375 -7.4360 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8302 -2.8348 1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5370 -2.3281 0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5636 -4.3072 1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7690 -3.4086 0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7900 -2.4390 2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5965 -3.2645 3.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3679 -5.4219 2.5568 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5317 -4.7775 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9562 -4.3049 3.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9948 -4.6062 6.1272 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2135 -4.8828 6.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4469 -4.1674 5.6889 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8514 -0.8092 1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5807 -0.1166 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7482 2.3832 -1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6999 2.3267 -0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7700 2.4142 0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3834 0.7157 1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6889 1.0920 0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1892 1.8793 -1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4401 -1.0175 -0.9989 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2440 -1.8249 -0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1912 1.1043 -3.1336 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5773 0.6134 -3.7243 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1620 2.0812 -2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4058 1.9212 -4.8974 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0556 0.7803 -6.7870 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1170 0.4455 -5.3949 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7141 -1.4833 -6.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0417 1.0549 -4.6035 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0792 0.4376 -7.8529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0124 -1.0463 -6.7384 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5569 -3.0234 -7.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2838 -4.3694 -9.5243 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5584 -3.8443 -9.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8315 -2.3952 -10.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2497 -1.4608 -9.5095 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5338 -0.8390 -10.0089 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4709 -1.6900 -8.4715 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1940 -3.7946 -9.4207 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2211 -3.0708 -11.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3411 -3.1113 -9.5356 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0242 -1.7526 -10.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7110 -5.3736 -7.4866 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2147 -7.2871 -5.7661 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2218 -5.7981 -3.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7033 -8.5046 -1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1803 -5.6171 -1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6680 -6.6711 -0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0406 -6.7466 -2.7037 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9268 -8.5175 -2.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6594 -6.8676 -0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6667 -8.6509 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9785 -5.4262 -1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6253 -6.2390 -1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5792 -6.3076 -2.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0958 -6.0441 -4.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8688 -8.8430 -4.8287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8343 -8.4880 -4.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3814 -8.1589 -3.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 -6.0266 -5.8485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4439 0.9805 -5.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0563 1.0790 -6.6954 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8608 1.3020 -8.0972 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2807 2.6536 -6.9889 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6861 2.9490 -5.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6743 8.0317 1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1282 9.2356 2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3355 9.8678 0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7070 10.6708 0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1461 9.3632 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3776 8.2615 -1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7120 6.9657 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8525 5.8390 -2.5422 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5731 5.4718 -2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8361 6.4606 -4.9772 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5250 8.0971 -5.1438 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0645 4.4416 -0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4218 2.4677 0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1869 3.7816 1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4063 2.1195 2.0756 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0607 3.9463 -0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1565 2.6433 -2.6644 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1536 -1.0129 -2.8399 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7997 -0.9318 -0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3193 0.3700 0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8114 2.0807 3.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1447 3.9089 4.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3357 2.1488 6.3894 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0608 5.0511 4.8799 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5361 3.6594 5.9633 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8466 5.6277 6.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3806 6.7546 7.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1407 6.0568 6.6317 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4262 5.2987 8.2248 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9182 3.1477 7.9867 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6096 3.9212 7.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2776 4.6332 8.8444 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
3 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
9 11 1 0
11 12 1 0
12 13 2 0
12 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
16 18 2 0
14 19 1 0
19 20 1 0
20 21 2 0
20 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
22 28 1 0
28 29 1 0
29 30 2 0
29 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
36 37 2 0
36 38 1 0
31 39 1 0
39 40 1 0
40 41 2 0
40 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 2 0
47 49 1 0
42 50 1 0
50 51 1 0
51 52 2 0
51 53 1 0
53 54 1 0
54 55 1 0
53 56 1 0
56 57 1 0
57 58 2 0
57 59 1 0
59 60 1 0
60 61 1 0
61 62 2 0
61 63 1 0
63 64 1 0
64 65 1 0
65 66 1 0
66 67 1 0
67 68 1 0
63 69 1 0
69 70 1 0
70 71 2 0
70 72 1 0
72 73 1 0
73 74 1 0
74 75 2 0
74 76 1 0
76 77 1 0
76 78 1 0
78 79 1 0
79 80 1 0
80 81 1 0
72 82 1 0
82 83 1 0
82 84 1 0
59 85 1 0
85 86 1 0
85 87 1 0
5 88 1 0
88 89 2 0
88 90 1 0
90 91 1 0
91 92 1 0
91 93 1 0
93 94 2 0
93 95 1 0
95 96 1 0
96 97 1 0
97 98 1 0
98 99 1 0
98100 2 0
96101 1 0
101102 2 0
101103 1 0
103104 1 0
104105 1 0
105106 1 0
106107 2 0
107108 1 0
108109 2 0
109110 1 0
109111 1 0
111112 2 0
104113 1 0
113114 2 0
113115 1 0
115116 1 0
116117 1 0
117118 2 0
116119 1 0
119120 1 0
120121 1 0
120122 1 0
112106 1 0
1123 1 0
1124 1 0
1125 1 0
2126 1 0
2127 1 0
3128 1 6
4129 1 0
4130 1 0
4131 1 0
5132 1 1
6133 1 0
9134 1 6
10135 1 0
10136 1 0
10137 1 0
11138 1 0
14139 1 1
15140 1 0
15141 1 0
17142 1 0
17143 1 0
19144 1 0
22145 1 1
23146 1 0
23147 1 0
24148 1 0
24149 1 0
25150 1 0
25151 1 0
26152 1 0
26153 1 0
27154 1 0
27155 1 0
28156 1 0
31157 1 6
32158 1 0
32159 1 0
33160 1 0
33161 1 0
34162 1 0
34163 1 0
35164 1 0
37165 1 0
38166 1 0
38167 1 0
39168 1 0
42169 1 6
43170 1 0
43171 1 0
44172 1 0
44173 1 0
45174 1 0
45175 1 0
46176 1 0
48177 1 0
49178 1 0
49179 1 0
50180 1 0
53181 1 1
54182 1 0
54183 1 0
55184 1 0
56185 1 0
59186 1 6
60187 1 0
63188 1 1
64189 1 0
64190 1 0
65191 1 0
65192 1 0
66193 1 0
66194 1 0
67195 1 0
67196 1 0
68197 1 0
68198 1 0
69199 1 0
72200 1 6
73201 1 0
76202 1 1
77203 1 0
77204 1 0
78205 1 0
78206 1 0
79207 1 0
79208 1 0
81209 1 0
81210 1 0
81211 1 0
82212 1 1
83213 1 0
83214 1 0
83215 1 0
84216 1 0
85217 1 1
86218 1 0
86219 1 0
86220 1 0
87221 1 0
90222 1 0
91223 1 1
92224 1 0
92225 1 0
92226 1 0
95227 1 0
96228 1 1
97229 1 0
97230 1 0
99231 1 0
99232 1 0
103233 1 0
104234 1 6
105235 1 0
105236 1 0
107237 1 0
108238 1 0
110239 1 0
111240 1 0
112241 1 0
115242 1 0
116243 1 6
117244 1 0
119245 1 0
119246 1 0
120247 1 6
121248 1 0
121249 1 0
121250 1 0
122251 1 0
122252 1 0
122253 1 0
M END
3D SDF for NP0003627 (Plantaricin W)
Mrv1652307012117103D
253253 0 0 0 0 999 V2000
-5.2442 6.9068 1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1277 6.0864 1.2635 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3693 5.2588 2.2147 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.4066 4.2850 2.8275 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6567 5.9242 3.3776 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0294 4.8592 4.1562 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4684 4.1030 5.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5752 4.1849 5.7786 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5344 3.0489 5.7630 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0522 3.4545 7.1526 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2063 1.7723 5.9232 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8348 0.6980 5.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0083 0.9266 4.1488 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4298 -0.6701 5.1565 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.8354 -0.6262 4.6687 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.7554 0.2711 5.3526 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4597 -0.2142 6.4901 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9746 1.4779 4.9958 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7249 -1.6282 4.3595 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3477 -1.7894 4.1531 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 -0.9960 4.6498 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2106 -2.9023 3.3479 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8675 -3.8048 2.8718 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3307 -4.9592 2.0648 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4512 -5.8653 1.5700 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.8598 -7.0008 0.7440 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0761 -7.8001 1.5121 N 0 0 2 0 0 0 0 0 0 0 0 0
1.1521 -2.6494 2.3593 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5115 -2.1512 2.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9422 -1.7901 3.5021 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2584 -2.1297 1.1349 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1804 -3.3970 1.1074 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1191 -3.3385 2.2738 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0365 -4.5259 2.3501 C 0 0 1 0 0 0 0 0 0 0 0 0
6.9538 -4.4246 3.4674 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4905 -4.4964 4.7983 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2394 -4.5541 5.1003 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4792 -4.5116 5.8340 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1492 -1.0593 0.7738 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9730 -0.4638 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9389 -0.9741 -1.1319 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6881 0.5512 -1.2383 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4139 1.6232 -0.5793 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6112 1.4579 0.2552 C 0 0 1 0 0 0 0 0 0 0 0 0
7.8676 1.0533 -0.3930 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0386 -0.1932 -1.0475 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2275 -0.3343 -1.8708 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1198 -1.1155 -1.6694 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3325 0.5499 -3.0282 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1308 1.0096 -2.4997 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5627 0.2723 -3.5488 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4188 -0.9868 -3.4499 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1052 0.8674 -4.8058 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1431 0.2368 -5.8550 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9541 -1.1252 -5.9050 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8122 0.6423 -5.2864 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2455 0.0100 -6.3988 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9606 -0.6141 -7.2129 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2076 0.0392 -6.7008 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9331 -1.1293 -6.9491 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5588 -2.3842 -7.3977 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6004 -2.7742 -7.6494 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -3.4475 -7.6361 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6215 -3.5686 -9.1525 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9299 -2.3074 -9.8619 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3179 -1.8314 -9.5548 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.3561 -2.8614 -9.9803 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.6838 -2.3240 -9.6932 N 0 0 2 0 0 0 0 0 0 0 0 0
-1.3709 -4.7138 -7.0290 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9869 -5.1471 -5.8195 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7720 -4.3249 -5.2735 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8076 -6.4406 -5.1534 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4681 -6.5137 -3.8723 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4304 -7.5287 -3.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6996 -8.3457 -4.5074 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0711 -7.5799 -2.2707 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6359 -6.4759 -1.4341 N 0 0 1 0 0 0 0 0 0 0 0 0
-5.5590 -7.6532 -2.2670 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.0685 -7.6959 -0.8161 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.8492 -7.8179 -0.8096 S 0 0 0 0 0 0 0 0 0 0 0 0
-8.5640 -6.2834 -1.4474 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3248 -6.7248 -4.8496 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2041 -8.1429 -4.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4602 -6.6566 -5.9981 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9712 1.1731 -6.1207 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1080 1.5520 -7.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1954 2.3211 -5.9520 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5571 6.8413 2.9285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4488 6.6140 3.4952 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6810 7.8249 1.9891 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7111 8.7048 1.4055 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.2306 9.6573 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3520 7.8292 0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9218 7.0855 1.6294 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7188 7.7304 -0.5537 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7523 6.7008 -0.8529 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8264 6.3046 -2.2460 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1570 7.4601 -3.1053 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1783 7.3419 -4.5059 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4174 8.5574 -2.5681 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2428 5.4968 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1001 5.5496 0.4032 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1119 4.4353 0.2437 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8055 3.3402 1.1276 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4171 2.9093 1.2309 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2546 2.3068 0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9584 2.8905 -0.9033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6149 2.1503 -1.9009 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5711 0.7774 -1.9096 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 -0.0234 -2.8461 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 0.1425 -0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2330 0.9047 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5068 3.5581 2.4161 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3382 4.5485 2.3868 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4110 2.8783 3.6332 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2907 3.3448 4.7681 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6875 2.1683 5.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2540 1.0332 5.2147 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4136 4.2572 5.5832 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0218 4.9218 6.7534 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9095 5.8131 7.3685 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5039 4.0654 7.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9290 7.3480 2.8724 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1268 6.2833 2.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5906 7.7137 1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6111 6.5406 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7569 5.2713 0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6275 4.6407 1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1667 4.0459 2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9445 4.8471 3.5992 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9222 3.4170 3.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3849 6.4339 3.9643 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0279 4.6463 3.7800 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6672 2.9937 5.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5888 4.4434 7.0423 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8930 3.4353 7.8434 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 2.6724 7.4158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9058 1.6466 6.6524 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3199 -0.9382 6.2533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2693 -1.6666 4.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8422 -0.2741 3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0658 -0.1251 7.4309 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4071 -0.6718 6.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3385 -2.3467 3.8372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7759 -3.5663 4.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5228 -4.1960 3.7081 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5394 -3.1973 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3018 -5.5482 2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3465 -4.6688 1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1399 -5.3131 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9640 -6.2745 2.4439 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3904 -6.6159 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6929 -7.6766 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0566 -7.6741 2.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0375 -7.4360 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8302 -2.8348 1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5370 -2.3281 0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5636 -4.3072 1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7690 -3.4086 0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7900 -2.4390 2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5965 -3.2645 3.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3679 -5.4219 2.5568 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5317 -4.7775 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9562 -4.3049 3.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9948 -4.6062 6.1272 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2135 -4.8828 6.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4469 -4.1674 5.6889 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8514 -0.8092 1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5807 -0.1166 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7482 2.3832 -1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6999 2.3267 -0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7700 2.4142 0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3834 0.7157 1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6889 1.0920 0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1892 1.8793 -1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4401 -1.0175 -0.9989 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2440 -1.8249 -0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1912 1.1043 -3.1336 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5773 0.6134 -3.7243 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1620 2.0812 -2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4058 1.9212 -4.8974 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0556 0.7803 -6.7870 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1170 0.4455 -5.3949 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7141 -1.4833 -6.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0417 1.0549 -4.6035 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0792 0.4376 -7.8529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0124 -1.0463 -6.7384 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5569 -3.0234 -7.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2838 -4.3694 -9.5243 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5584 -3.8443 -9.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8315 -2.3952 -10.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2497 -1.4608 -9.5095 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5338 -0.8390 -10.0089 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4709 -1.6900 -8.4715 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1940 -3.7946 -9.4207 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2211 -3.0708 -11.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3411 -3.1113 -9.5356 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0242 -1.7526 -10.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7110 -5.3736 -7.4866 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2147 -7.2871 -5.7661 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2218 -5.7981 -3.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7033 -8.5046 -1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1803 -5.6171 -1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6680 -6.6711 -0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0406 -6.7466 -2.7037 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9268 -8.5175 -2.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6594 -6.8676 -0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6667 -8.6509 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9785 -5.4262 -1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6253 -6.2390 -1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5792 -6.3076 -2.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0958 -6.0441 -4.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8688 -8.8430 -4.8287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8343 -8.4880 -4.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3814 -8.1589 -3.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 -6.0266 -5.8485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4439 0.9805 -5.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0563 1.0790 -6.6954 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8608 1.3020 -8.0972 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2807 2.6536 -6.9889 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6861 2.9490 -5.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6743 8.0317 1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1282 9.2356 2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3355 9.8678 0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7070 10.6708 0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1461 9.3632 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3776 8.2615 -1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7120 6.9657 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8525 5.8390 -2.5422 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5731 5.4718 -2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8361 6.4606 -4.9772 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5250 8.0971 -5.1438 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0645 4.4416 -0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4218 2.4677 0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1869 3.7816 1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4063 2.1195 2.0756 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0607 3.9463 -0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1565 2.6433 -2.6644 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1536 -1.0129 -2.8399 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7997 -0.9318 -0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3193 0.3700 0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8114 2.0807 3.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1447 3.9089 4.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3357 2.1488 6.3894 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0608 5.0511 4.8799 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5361 3.6594 5.9633 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8466 5.6277 6.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3806 6.7546 7.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1407 6.0568 6.6317 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4262 5.2987 8.2248 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9182 3.1477 7.9867 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6096 3.9212 7.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2776 4.6332 8.8444 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
3 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
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 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
16 17 1 0 0 0 0
16 18 2 0 0 0 0
14 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
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
22 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
31 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
42 50 1 0 0 0 0
50 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
53 56 1 0 0 0 0
56 57 1 0 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 2 0 0 0 0
61 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
63 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 2 0 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 2 0 0 0 0
74 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
72 82 1 0 0 0 0
82 83 1 0 0 0 0
82 84 1 0 0 0 0
59 85 1 0 0 0 0
85 86 1 0 0 0 0
85 87 1 0 0 0 0
5 88 1 0 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
91 93 1 0 0 0 0
93 94 2 0 0 0 0
93 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
97 98 1 0 0 0 0
98 99 1 0 0 0 0
98100 2 0 0 0 0
96101 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
105106 1 0 0 0 0
106107 2 0 0 0 0
107108 1 0 0 0 0
108109 2 0 0 0 0
109110 1 0 0 0 0
109111 1 0 0 0 0
111112 2 0 0 0 0
104113 1 0 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
117118 2 0 0 0 0
116119 1 0 0 0 0
119120 1 0 0 0 0
120121 1 0 0 0 0
120122 1 0 0 0 0
112106 1 0 0 0 0
1123 1 0 0 0 0
1124 1 0 0 0 0
1125 1 0 0 0 0
2126 1 0 0 0 0
2127 1 0 0 0 0
3128 1 6 0 0 0
4129 1 0 0 0 0
4130 1 0 0 0 0
4131 1 0 0 0 0
5132 1 1 0 0 0
6133 1 0 0 0 0
9134 1 6 0 0 0
10135 1 0 0 0 0
10136 1 0 0 0 0
10137 1 0 0 0 0
11138 1 0 0 0 0
14139 1 1 0 0 0
15140 1 0 0 0 0
15141 1 0 0 0 0
17142 1 0 0 0 0
17143 1 0 0 0 0
19144 1 0 0 0 0
22145 1 1 0 0 0
23146 1 0 0 0 0
23147 1 0 0 0 0
24148 1 0 0 0 0
24149 1 0 0 0 0
25150 1 0 0 0 0
25151 1 0 0 0 0
26152 1 0 0 0 0
26153 1 0 0 0 0
27154 1 0 0 0 0
27155 1 0 0 0 0
28156 1 0 0 0 0
31157 1 6 0 0 0
32158 1 0 0 0 0
32159 1 0 0 0 0
33160 1 0 0 0 0
33161 1 0 0 0 0
34162 1 0 0 0 0
34163 1 0 0 0 0
35164 1 0 0 0 0
37165 1 0 0 0 0
38166 1 0 0 0 0
38167 1 0 0 0 0
39168 1 0 0 0 0
42169 1 6 0 0 0
43170 1 0 0 0 0
43171 1 0 0 0 0
44172 1 0 0 0 0
44173 1 0 0 0 0
45174 1 0 0 0 0
45175 1 0 0 0 0
46176 1 0 0 0 0
48177 1 0 0 0 0
49178 1 0 0 0 0
49179 1 0 0 0 0
50180 1 0 0 0 0
53181 1 1 0 0 0
54182 1 0 0 0 0
54183 1 0 0 0 0
55184 1 0 0 0 0
56185 1 0 0 0 0
59186 1 6 0 0 0
60187 1 0 0 0 0
63188 1 1 0 0 0
64189 1 0 0 0 0
64190 1 0 0 0 0
65191 1 0 0 0 0
65192 1 0 0 0 0
66193 1 0 0 0 0
66194 1 0 0 0 0
67195 1 0 0 0 0
67196 1 0 0 0 0
68197 1 0 0 0 0
68198 1 0 0 0 0
69199 1 0 0 0 0
72200 1 6 0 0 0
73201 1 0 0 0 0
76202 1 1 0 0 0
77203 1 0 0 0 0
77204 1 0 0 0 0
78205 1 0 0 0 0
78206 1 0 0 0 0
79207 1 0 0 0 0
79208 1 0 0 0 0
81209 1 0 0 0 0
81210 1 0 0 0 0
81211 1 0 0 0 0
82212 1 1 0 0 0
83213 1 0 0 0 0
83214 1 0 0 0 0
83215 1 0 0 0 0
84216 1 0 0 0 0
85217 1 1 0 0 0
86218 1 0 0 0 0
86219 1 0 0 0 0
86220 1 0 0 0 0
87221 1 0 0 0 0
90222 1 0 0 0 0
91223 1 1 0 0 0
92224 1 0 0 0 0
92225 1 0 0 0 0
92226 1 0 0 0 0
95227 1 0 0 0 0
96228 1 1 0 0 0
97229 1 0 0 0 0
97230 1 0 0 0 0
99231 1 0 0 0 0
99232 1 0 0 0 0
103233 1 0 0 0 0
104234 1 6 0 0 0
105235 1 0 0 0 0
105236 1 0 0 0 0
107237 1 0 0 0 0
108238 1 0 0 0 0
110239 1 0 0 0 0
111240 1 0 0 0 0
112241 1 0 0 0 0
115242 1 0 0 0 0
116243 1 6 0 0 0
117244 1 0 0 0 0
119245 1 0 0 0 0
119246 1 0 0 0 0
120247 1 6 0 0 0
121248 1 0 0 0 0
121249 1 0 0 0 0
121250 1 0 0 0 0
122251 1 0 0 0 0
122252 1 0 0 0 0
122253 1 0 0 0 0
M END
> <DATABASE_ID>
NP0003627
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])[C@@]([H])(O[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C(=O)N([H])[C@]([H])(C([H])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C75H131N25O21S/c1-10-38(4)57(71(119)88-39(5)60(108)94-53(34-56(80)107)69(117)95-51(32-43-21-23-45(105)24-22-43)68(116)89-44(35-101)31-37(2)3)98-61(109)40(6)87-67(115)52(33-55(79)106)96-65(113)47(17-11-13-26-76)90-63(111)49(19-15-28-85-74(81)82)91-64(112)50(20-16-29-86-75(83)84)92-70(118)54(36-102)97-73(121)59(42(8)104)100-66(114)48(18-12-14-27-77)93-72(120)58(41(7)103)99-62(110)46(78)25-30-122-9/h21-24,35,37-42,44,46-54,57-59,102-105H,10-20,25-34,36,76-78H2,1-9H3,(H2,79,106)(H2,80,107)(H,87,115)(H,88,119)(H,89,116)(H,90,111)(H,91,112)(H,92,118)(H,93,120)(H,94,108)(H,95,117)(H,96,113)(H,97,121)(H,98,109)(H,99,110)(H,100,114)(H4,81,82,85)(H4,83,84,86)/t38-,39+,40+,41+,42-,44-,46-,47+,48+,49-,50-,51+,52+,53+,54+,57+,58+,59-/m0/s1
> <INCHI_KEY>
KAYJBPCHVFSMSY-UHFFFAOYSA-N
> <FORMULA>
C75H131N25O21S
> <MOLECULAR_WEIGHT>
1751.09
> <EXACT_MASS>
1749.967207512
> <JCHEM_ACCEPTOR_COUNT>
30
> <JCHEM_ATOM_COUNT>
253
> <JCHEM_AVERAGE_POLARIZABILITY>
183.15539728543428
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
29
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2R)-2-[(2R)-2-[(2R,3S)-2-[(2R)-2-[(2R)-2-[(2R)-6-amino-2-[(2S)-2-{2-[(2R)-2-[(3S)-2-[(2R)-6-amino-2-[(2R,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]hexanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido}-5-carbamimidamidopentanamido]hexanamido]-3-carbamoylpropanamido]propanamido]-3-methylpentanamido]propanamido]-N-[(1R)-2-(4-hydroxyphenyl)-1-{[(2S)-4-methyl-1-oxopentan-2-yl]carbamoyl}ethyl]butanediamide
> <JCHEM_LOGP>
-11.614297400364675
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
1
> <JCHEM_PHYSIOLOGICAL_CHARGE>
5
> <JCHEM_PKA_STRONGEST_ACIDIC>
9.37464250933812
> <JCHEM_PKA_STRONGEST_BASIC>
12.204171344602223
> <JCHEM_POLAR_SURFACE_AREA>
793.4300000000001
> <JCHEM_REFRACTIVITY>
463.35420000000005
> <JCHEM_ROTATABLE_BOND_COUNT>
61
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-[(2R)-2-[(2R,3S)-2-[(2R)-2-[(2R)-2-[(2R)-6-amino-2-[(2S)-2-{2-[(2R)-2-[(3S)-2-[(2R)-6-amino-2-[(2R,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]hexanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido}-5-carbamimidamidopentanamido]hexanamido]-3-carbamoylpropanamido]propanamido]-3-methylpentanamido]propanamido]-N-[(1R)-2-(4-hydroxyphenyl)-1-{[(2S)-4-methyl-1-oxopentan-2-yl]carbamoyl}ethyl]succinamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0003627 (Plantaricin W)
RDKit 3D
253253 0 0 0 0 0 0 0 0999 V2000
-5.2442 6.9068 1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1277 6.0864 1.2635 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3693 5.2588 2.2147 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.4066 4.2850 2.8275 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6567 5.9242 3.3776 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0294 4.8592 4.1562 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4684 4.1030 5.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5752 4.1849 5.7786 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5344 3.0489 5.7630 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0522 3.4545 7.1526 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2063 1.7723 5.9232 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8348 0.6980 5.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0083 0.9266 4.1488 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4298 -0.6701 5.1565 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.8354 -0.6262 4.6687 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7554 0.2711 5.3526 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4597 -0.2142 6.4901 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9746 1.4779 4.9958 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7249 -1.6282 4.3595 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3477 -1.7894 4.1531 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 -0.9960 4.6498 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2106 -2.9023 3.3479 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8675 -3.8048 2.8718 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3307 -4.9592 2.0648 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4512 -5.8653 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8598 -7.0008 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0761 -7.8001 1.5121 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1521 -2.6494 2.3593 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5115 -2.1512 2.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9422 -1.7901 3.5021 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2584 -2.1297 1.1349 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1804 -3.3970 1.1074 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1191 -3.3385 2.2738 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0365 -4.5259 2.3501 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9538 -4.4246 3.4674 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4905 -4.4964 4.7983 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2394 -4.5541 5.1003 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4792 -4.5116 5.8340 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1492 -1.0593 0.7738 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9730 -0.4638 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9389 -0.9741 -1.1319 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6881 0.5512 -1.2383 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4139 1.6232 -0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6112 1.4579 0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8676 1.0533 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0386 -0.1932 -1.0475 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2275 -0.3343 -1.8708 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1198 -1.1155 -1.6694 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3325 0.5499 -3.0282 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1308 1.0096 -2.4997 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5627 0.2723 -3.5488 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4188 -0.9868 -3.4499 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1052 0.8674 -4.8058 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1431 0.2368 -5.8550 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9541 -1.1252 -5.9050 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8122 0.6423 -5.2864 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2455 0.0100 -6.3988 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9606 -0.6141 -7.2129 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2076 0.0392 -6.7008 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9331 -1.1293 -6.9491 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5588 -2.3842 -7.3977 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6004 -2.7742 -7.6494 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6268 -3.4475 -7.6361 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6215 -3.5686 -9.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9299 -2.3074 -9.8619 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3179 -1.8314 -9.5548 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3561 -2.8614 -9.9803 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6838 -2.3240 -9.6932 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3709 -4.7138 -7.0290 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9869 -5.1471 -5.8195 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7720 -4.3249 -5.2735 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8076 -6.4406 -5.1534 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4681 -6.5137 -3.8723 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4304 -7.5287 -3.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6996 -8.3457 -4.5074 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0711 -7.5799 -2.2707 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6359 -6.4759 -1.4341 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5590 -7.6532 -2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0685 -7.6959 -0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8492 -7.8179 -0.8096 S 0 0 0 0 0 0 0 0 0 0 0 0
-8.5640 -6.2834 -1.4474 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3248 -6.7248 -4.8496 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2041 -8.1429 -4.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4602 -6.6566 -5.9981 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9712 1.1731 -6.1207 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1080 1.5520 -7.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1954 2.3211 -5.9520 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5571 6.8413 2.9285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4488 6.6140 3.4952 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6810 7.8249 1.9891 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7111 8.7048 1.4055 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.2306 9.6573 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3520 7.8292 0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9218 7.0855 1.6294 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7188 7.7304 -0.5537 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7523 6.7008 -0.8529 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8264 6.3046 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1570 7.4601 -3.1053 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1783 7.3419 -4.5059 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4174 8.5574 -2.5681 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2428 5.4968 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1001 5.5496 0.4032 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1119 4.4353 0.2437 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8055 3.3402 1.1276 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4171 2.9093 1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2546 2.3068 0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9584 2.8905 -0.9033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6149 2.1503 -1.9009 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5711 0.7774 -1.9096 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 -0.0234 -2.8461 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 0.1425 -0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2330 0.9047 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5068 3.5581 2.4161 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3382 4.5485 2.3868 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4110 2.8783 3.6332 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2907 3.3448 4.7681 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6875 2.1683 5.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2540 1.0332 5.2147 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4136 4.2572 5.5832 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0218 4.9218 6.7534 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9095 5.8131 7.3685 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5039 4.0654 7.8778 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9290 7.3480 2.8724 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1268 6.2833 2.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5906 7.7137 1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6111 6.5406 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7569 5.2713 0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6275 4.6407 1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1667 4.0459 2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9445 4.8471 3.5992 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9222 3.4170 3.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3849 6.4339 3.9643 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0279 4.6463 3.7800 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6672 2.9937 5.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5888 4.4434 7.0423 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8930 3.4353 7.8434 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2827 2.6724 7.4158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9058 1.6466 6.6524 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3199 -0.9382 6.2533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2693 -1.6666 4.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8422 -0.2741 3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0658 -0.1251 7.4309 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4071 -0.6718 6.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3385 -2.3467 3.8372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7759 -3.5663 4.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5228 -4.1960 3.7081 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5394 -3.1973 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3018 -5.5482 2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3465 -4.6688 1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1399 -5.3131 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9640 -6.2745 2.4439 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3904 -6.6159 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6929 -7.6766 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0566 -7.6741 2.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0375 -7.4360 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8302 -2.8348 1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5370 -2.3281 0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5636 -4.3072 1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7690 -3.4086 0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7900 -2.4390 2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5965 -3.2645 3.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3679 -5.4219 2.5568 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5317 -4.7775 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9562 -4.3049 3.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9948 -4.6062 6.1272 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2135 -4.8828 6.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4469 -4.1674 5.6889 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8514 -0.8092 1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5807 -0.1166 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7482 2.3832 -1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6999 2.3267 -0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7700 2.4142 0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3834 0.7157 1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6889 1.0920 0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1892 1.8793 -1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4401 -1.0175 -0.9989 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2440 -1.8249 -0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1912 1.1043 -3.1336 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5773 0.6134 -3.7243 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1620 2.0812 -2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4058 1.9212 -4.8974 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0556 0.7803 -6.7870 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1170 0.4455 -5.3949 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7141 -1.4833 -6.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0417 1.0549 -4.6035 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0792 0.4376 -7.8529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0124 -1.0463 -6.7384 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5569 -3.0234 -7.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2838 -4.3694 -9.5243 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5584 -3.8443 -9.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8315 -2.3952 -10.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2497 -1.4608 -9.5095 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5338 -0.8390 -10.0089 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4709 -1.6900 -8.4715 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1940 -3.7946 -9.4207 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2211 -3.0708 -11.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3411 -3.1113 -9.5356 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0242 -1.7526 -10.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7110 -5.3736 -7.4866 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2147 -7.2871 -5.7661 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2218 -5.7981 -3.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7033 -8.5046 -1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1803 -5.6171 -1.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6680 -6.6711 -0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0406 -6.7466 -2.7037 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9268 -8.5175 -2.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6594 -6.8676 -0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6667 -8.6509 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9785 -5.4262 -1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6253 -6.2390 -1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5792 -6.3076 -2.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0958 -6.0441 -4.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8688 -8.8430 -4.8287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8343 -8.4880 -4.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3814 -8.1589 -3.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 -6.0266 -5.8485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4439 0.9805 -5.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0563 1.0790 -6.6954 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8608 1.3020 -8.0972 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2807 2.6536 -6.9889 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6861 2.9490 -5.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6743 8.0317 1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1282 9.2356 2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3355 9.8678 0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7070 10.6708 0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1461 9.3632 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3776 8.2615 -1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7120 6.9657 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8525 5.8390 -2.5422 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5731 5.4718 -2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8361 6.4606 -4.9772 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5250 8.0971 -5.1438 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0645 4.4416 -0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4218 2.4677 0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1869 3.7816 1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4063 2.1195 2.0756 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0607 3.9463 -0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1565 2.6433 -2.6644 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1536 -1.0129 -2.8399 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7997 -0.9318 -0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3193 0.3700 0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8114 2.0807 3.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1447 3.9089 4.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3357 2.1488 6.3894 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0608 5.0511 4.8799 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5361 3.6594 5.9633 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8466 5.6277 6.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3806 6.7546 7.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1407 6.0568 6.6317 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4262 5.2987 8.2248 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9182 3.1477 7.9867 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6096 3.9212 7.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2776 4.6332 8.8444 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
3 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
9 11 1 0
11 12 1 0
12 13 2 0
12 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
16 18 2 0
14 19 1 0
19 20 1 0
20 21 2 0
20 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
22 28 1 0
28 29 1 0
29 30 2 0
29 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
36 37 2 0
36 38 1 0
31 39 1 0
39 40 1 0
40 41 2 0
40 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 2 0
47 49 1 0
42 50 1 0
50 51 1 0
51 52 2 0
51 53 1 0
53 54 1 0
54 55 1 0
53 56 1 0
56 57 1 0
57 58 2 0
57 59 1 0
59 60 1 0
60 61 1 0
61 62 2 0
61 63 1 0
63 64 1 0
64 65 1 0
65 66 1 0
66 67 1 0
67 68 1 0
63 69 1 0
69 70 1 0
70 71 2 0
70 72 1 0
72 73 1 0
73 74 1 0
74 75 2 0
74 76 1 0
76 77 1 0
76 78 1 0
78 79 1 0
79 80 1 0
80 81 1 0
72 82 1 0
82 83 1 0
82 84 1 0
59 85 1 0
85 86 1 0
85 87 1 0
5 88 1 0
88 89 2 0
88 90 1 0
90 91 1 0
91 92 1 0
91 93 1 0
93 94 2 0
93 95 1 0
95 96 1 0
96 97 1 0
97 98 1 0
98 99 1 0
98100 2 0
96101 1 0
101102 2 0
101103 1 0
103104 1 0
104105 1 0
105106 1 0
106107 2 0
107108 1 0
108109 2 0
109110 1 0
109111 1 0
111112 2 0
104113 1 0
113114 2 0
113115 1 0
115116 1 0
116117 1 0
117118 2 0
116119 1 0
119120 1 0
120121 1 0
120122 1 0
112106 1 0
1123 1 0
1124 1 0
1125 1 0
2126 1 0
2127 1 0
3128 1 6
4129 1 0
4130 1 0
4131 1 0
5132 1 1
6133 1 0
9134 1 6
10135 1 0
10136 1 0
10137 1 0
11138 1 0
14139 1 1
15140 1 0
15141 1 0
17142 1 0
17143 1 0
19144 1 0
22145 1 1
23146 1 0
23147 1 0
24148 1 0
24149 1 0
25150 1 0
25151 1 0
26152 1 0
26153 1 0
27154 1 0
27155 1 0
28156 1 0
31157 1 6
32158 1 0
32159 1 0
33160 1 0
33161 1 0
34162 1 0
34163 1 0
35164 1 0
37165 1 0
38166 1 0
38167 1 0
39168 1 0
42169 1 6
43170 1 0
43171 1 0
44172 1 0
44173 1 0
45174 1 0
45175 1 0
46176 1 0
48177 1 0
49178 1 0
49179 1 0
50180 1 0
53181 1 1
54182 1 0
54183 1 0
55184 1 0
56185 1 0
59186 1 6
60187 1 0
63188 1 1
64189 1 0
64190 1 0
65191 1 0
65192 1 0
66193 1 0
66194 1 0
67195 1 0
67196 1 0
68197 1 0
68198 1 0
69199 1 0
72200 1 6
73201 1 0
76202 1 1
77203 1 0
77204 1 0
78205 1 0
78206 1 0
79207 1 0
79208 1 0
81209 1 0
81210 1 0
81211 1 0
82212 1 1
83213 1 0
83214 1 0
83215 1 0
84216 1 0
85217 1 1
86218 1 0
86219 1 0
86220 1 0
87221 1 0
90222 1 0
91223 1 1
92224 1 0
92225 1 0
92226 1 0
95227 1 0
96228 1 1
97229 1 0
97230 1 0
99231 1 0
99232 1 0
103233 1 0
104234 1 6
105235 1 0
105236 1 0
107237 1 0
108238 1 0
110239 1 0
111240 1 0
112241 1 0
115242 1 0
116243 1 6
117244 1 0
119245 1 0
119246 1 0
120247 1 6
121248 1 0
121249 1 0
121250 1 0
122251 1 0
122252 1 0
122253 1 0
M END
PDB for NP0003627 (Plantaricin W)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 -5.244 6.907 1.878 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.128 6.086 1.264 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.369 5.259 2.215 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.407 4.285 2.828 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.657 5.924 3.378 0.00 0.00 C+0 HETATM 6 N UNK 0 -2.029 4.859 4.156 0.00 0.00 N+0 HETATM 7 C UNK 0 -2.468 4.103 5.217 0.00 0.00 C+0 HETATM 8 O UNK 0 -3.575 4.185 5.779 0.00 0.00 O+0 HETATM 9 C UNK 0 -1.534 3.049 5.763 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.052 3.454 7.153 0.00 0.00 C+0 HETATM 11 N UNK 0 -2.206 1.772 5.923 0.00 0.00 N+0 HETATM 12 C UNK 0 -1.835 0.698 5.024 0.00 0.00 C+0 HETATM 13 O UNK 0 -1.008 0.927 4.149 0.00 0.00 O+0 HETATM 14 C UNK 0 -2.430 -0.670 5.157 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.835 -0.626 4.669 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.755 0.271 5.353 0.00 0.00 C+0 HETATM 17 N UNK 0 -5.460 -0.214 6.490 0.00 0.00 N+0 HETATM 18 O UNK 0 -4.975 1.478 4.996 0.00 0.00 O+0 HETATM 19 N UNK 0 -1.725 -1.628 4.359 0.00 0.00 N+0 HETATM 20 C UNK 0 -0.348 -1.789 4.153 0.00 0.00 C+0 HETATM 21 O UNK 0 0.480 -0.996 4.650 0.00 0.00 O+0 HETATM 22 C UNK 0 0.211 -2.902 3.348 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.868 -3.805 2.872 0.00 0.00 C+0 HETATM 24 C UNK 0 -0.331 -4.959 2.065 0.00 0.00 C+0 HETATM 25 C UNK 0 -1.451 -5.865 1.570 0.00 0.00 C+0 HETATM 26 C UNK 0 -0.860 -7.001 0.744 0.00 0.00 C+0 HETATM 27 N UNK 0 0.076 -7.800 1.512 0.00 0.00 N+0 HETATM 28 N UNK 0 1.152 -2.649 2.359 0.00 0.00 N+0 HETATM 29 C UNK 0 2.511 -2.151 2.386 0.00 0.00 C+0 HETATM 30 O UNK 0 2.942 -1.790 3.502 0.00 0.00 O+0 HETATM 31 C UNK 0 3.258 -2.130 1.135 0.00 0.00 C+0 HETATM 32 C UNK 0 4.180 -3.397 1.107 0.00 0.00 C+0 HETATM 33 C UNK 0 5.119 -3.338 2.274 0.00 0.00 C+0 HETATM 34 C UNK 0 6.037 -4.526 2.350 0.00 0.00 C+0 HETATM 35 N UNK 0 6.954 -4.425 3.467 0.00 0.00 N+0 HETATM 36 C UNK 0 6.490 -4.496 4.798 0.00 0.00 C+0 HETATM 37 N UNK 0 5.239 -4.554 5.100 0.00 0.00 N+0 HETATM 38 N UNK 0 7.479 -4.512 5.834 0.00 0.00 N+0 HETATM 39 N UNK 0 4.149 -1.059 0.774 0.00 0.00 N+0 HETATM 40 C UNK 0 3.973 -0.464 -0.510 0.00 0.00 C+0 HETATM 41 O UNK 0 2.939 -0.974 -1.132 0.00 0.00 O+0 HETATM 42 C UNK 0 4.688 0.551 -1.238 0.00 0.00 C+0 HETATM 43 C UNK 0 5.414 1.623 -0.579 0.00 0.00 C+0 HETATM 44 C UNK 0 6.611 1.458 0.255 0.00 0.00 C+0 HETATM 45 C UNK 0 7.868 1.053 -0.393 0.00 0.00 C+0 HETATM 46 N UNK 0 8.039 -0.193 -1.048 0.00 0.00 N+0 HETATM 47 C UNK 0 9.227 -0.334 -1.871 0.00 0.00 C+0 HETATM 48 N UNK 0 10.120 -1.115 -1.669 0.00 0.00 N+0 HETATM 49 N UNK 0 9.332 0.550 -3.028 0.00 0.00 N+0 HETATM 50 N UNK 0 4.131 1.010 -2.500 0.00 0.00 N+0 HETATM 51 C UNK 0 3.563 0.272 -3.549 0.00 0.00 C+0 HETATM 52 O UNK 0 3.419 -0.987 -3.450 0.00 0.00 O+0 HETATM 53 C UNK 0 3.105 0.867 -4.806 0.00 0.00 C+0 HETATM 54 C UNK 0 4.143 0.237 -5.855 0.00 0.00 C+0 HETATM 55 O UNK 0 3.954 -1.125 -5.905 0.00 0.00 O+0 HETATM 56 N UNK 0 1.812 0.642 -5.286 0.00 0.00 N+0 HETATM 57 C UNK 0 1.246 0.010 -6.399 0.00 0.00 C+0 HETATM 58 O UNK 0 1.961 -0.614 -7.213 0.00 0.00 O+0 HETATM 59 C UNK 0 -0.208 0.039 -6.701 0.00 0.00 C+0 HETATM 60 N UNK 0 -0.933 -1.129 -6.949 0.00 0.00 N+0 HETATM 61 C UNK 0 -0.559 -2.384 -7.398 0.00 0.00 C+0 HETATM 62 O UNK 0 0.600 -2.774 -7.649 0.00 0.00 O+0 HETATM 63 C UNK 0 -1.627 -3.447 -7.636 0.00 0.00 C+0 HETATM 64 C UNK 0 -1.621 -3.569 -9.152 0.00 0.00 C+0 HETATM 65 C UNK 0 -1.930 -2.307 -9.862 0.00 0.00 C+0 HETATM 66 C UNK 0 -3.318 -1.831 -9.555 0.00 0.00 C+0 HETATM 67 C UNK 0 -4.356 -2.861 -9.980 0.00 0.00 C+0 HETATM 68 N UNK 0 -5.684 -2.324 -9.693 0.00 0.00 N+0 HETATM 69 N UNK 0 -1.371 -4.714 -7.029 0.00 0.00 N+0 HETATM 70 C UNK 0 -1.987 -5.147 -5.819 0.00 0.00 C+0 HETATM 71 O UNK 0 -2.772 -4.325 -5.274 0.00 0.00 O+0 HETATM 72 C UNK 0 -1.808 -6.441 -5.153 0.00 0.00 C+0 HETATM 73 N UNK 0 -2.468 -6.514 -3.872 0.00 0.00 N+0 HETATM 74 C UNK 0 -3.430 -7.529 -3.606 0.00 0.00 C+0 HETATM 75 O UNK 0 -3.700 -8.346 -4.507 0.00 0.00 O+0 HETATM 76 C UNK 0 -4.071 -7.580 -2.271 0.00 0.00 C+0 HETATM 77 N UNK 0 -3.636 -6.476 -1.434 0.00 0.00 N+0 HETATM 78 C UNK 0 -5.559 -7.653 -2.267 0.00 0.00 C+0 HETATM 79 C UNK 0 -6.069 -7.696 -0.816 0.00 0.00 C+0 HETATM 80 S UNK 0 -7.849 -7.818 -0.810 0.00 0.00 S+0 HETATM 81 C UNK 0 -8.564 -6.283 -1.447 0.00 0.00 C+0 HETATM 82 C UNK 0 -0.325 -6.725 -4.850 0.00 0.00 C+0 HETATM 83 C UNK 0 -0.204 -8.143 -4.278 0.00 0.00 C+0 HETATM 84 O UNK 0 0.460 -6.657 -5.998 0.00 0.00 O+0 HETATM 85 C UNK 0 -0.971 1.173 -6.121 0.00 0.00 C+0 HETATM 86 C UNK 0 -2.108 1.552 -7.068 0.00 0.00 C+0 HETATM 87 O UNK 0 -0.195 2.321 -5.952 0.00 0.00 O+0 HETATM 88 C UNK 0 -1.557 6.841 2.929 0.00 0.00 C+0 HETATM 89 O UNK 0 -0.449 6.614 3.495 0.00 0.00 O+0 HETATM 90 N UNK 0 -1.681 7.825 1.989 0.00 0.00 N+0 HETATM 91 C UNK 0 -0.711 8.705 1.406 0.00 0.00 C+0 HETATM 92 C UNK 0 -1.231 9.657 0.419 0.00 0.00 C+0 HETATM 93 C UNK 0 0.352 7.829 0.764 0.00 0.00 C+0 HETATM 94 O UNK 0 0.922 7.085 1.629 0.00 0.00 O+0 HETATM 95 N UNK 0 0.719 7.730 -0.554 0.00 0.00 N+0 HETATM 96 C UNK 0 1.752 6.701 -0.853 0.00 0.00 C+0 HETATM 97 C UNK 0 1.826 6.305 -2.246 0.00 0.00 C+0 HETATM 98 C UNK 0 2.157 7.460 -3.105 0.00 0.00 C+0 HETATM 99 N UNK 0 2.178 7.342 -4.506 0.00 0.00 N+0 HETATM 100 O UNK 0 2.417 8.557 -2.568 0.00 0.00 O+0 HETATM 101 C UNK 0 1.243 5.497 -0.016 0.00 0.00 C+0 HETATM 102 O UNK 0 0.100 5.550 0.403 0.00 0.00 O+0 HETATM 103 N UNK 0 2.112 4.435 0.244 0.00 0.00 N+0 HETATM 104 C UNK 0 1.806 3.340 1.128 0.00 0.00 C+0 HETATM 105 C UNK 0 0.417 2.909 1.231 0.00 0.00 C+0 HETATM 106 C UNK 0 -0.255 2.307 0.090 0.00 0.00 C+0 HETATM 107 C UNK 0 -0.958 2.890 -0.903 0.00 0.00 C+0 HETATM 108 C UNK 0 -1.615 2.150 -1.901 0.00 0.00 C+0 HETATM 109 C UNK 0 -1.571 0.777 -1.910 0.00 0.00 C+0 HETATM 110 O UNK 0 -2.194 -0.023 -2.846 0.00 0.00 O+0 HETATM 111 C UNK 0 -0.854 0.143 -0.906 0.00 0.00 C+0 HETATM 112 C UNK 0 -0.233 0.905 0.039 0.00 0.00 C+0 HETATM 113 C UNK 0 2.507 3.558 2.416 0.00 0.00 C+0 HETATM 114 O UNK 0 3.338 4.548 2.387 0.00 0.00 O+0 HETATM 115 N UNK 0 2.411 2.878 3.633 0.00 0.00 N+0 HETATM 116 C UNK 0 3.291 3.345 4.768 0.00 0.00 C+0 HETATM 117 C UNK 0 3.688 2.168 5.538 0.00 0.00 C+0 HETATM 118 O UNK 0 3.254 1.033 5.215 0.00 0.00 O+0 HETATM 119 C UNK 0 2.414 4.257 5.583 0.00 0.00 C+0 HETATM 120 C UNK 0 3.022 4.922 6.753 0.00 0.00 C+0 HETATM 121 C UNK 0 1.910 5.813 7.369 0.00 0.00 C+0 HETATM 122 C UNK 0 3.504 4.065 7.878 0.00 0.00 C+0 HETATM 123 H UNK 0 -4.929 7.348 2.872 0.00 0.00 H+0 HETATM 124 H UNK 0 -6.127 6.283 2.143 0.00 0.00 H+0 HETATM 125 H UNK 0 -5.591 7.714 1.215 0.00 0.00 H+0 HETATM 126 H UNK 0 -3.611 6.541 0.420 0.00 0.00 H+0 HETATM 127 H UNK 0 -4.757 5.271 0.677 0.00 0.00 H+0 HETATM 128 H UNK 0 -2.628 4.641 1.631 0.00 0.00 H+0 HETATM 129 H UNK 0 -5.167 4.046 2.047 0.00 0.00 H+0 HETATM 130 H UNK 0 -4.944 4.847 3.599 0.00 0.00 H+0 HETATM 131 H UNK 0 -3.922 3.417 3.243 0.00 0.00 H+0 HETATM 132 H UNK 0 -3.385 6.434 3.964 0.00 0.00 H+0 HETATM 133 H UNK 0 -1.028 4.646 3.780 0.00 0.00 H+0 HETATM 134 H UNK 0 -0.667 2.994 5.110 0.00 0.00 H+0 HETATM 135 H UNK 0 -0.589 4.443 7.042 0.00 0.00 H+0 HETATM 136 H UNK 0 -1.893 3.435 7.843 0.00 0.00 H+0 HETATM 137 H UNK 0 -0.283 2.672 7.416 0.00 0.00 H+0 HETATM 138 H UNK 0 -2.906 1.647 6.652 0.00 0.00 H+0 HETATM 139 H UNK 0 -2.320 -0.938 6.253 0.00 0.00 H+0 HETATM 140 H UNK 0 -4.269 -1.667 4.562 0.00 0.00 H+0 HETATM 141 H UNK 0 -3.842 -0.274 3.577 0.00 0.00 H+0 HETATM 142 H UNK 0 -5.066 -0.125 7.431 0.00 0.00 H+0 HETATM 143 H UNK 0 -6.407 -0.672 6.354 0.00 0.00 H+0 HETATM 144 H UNK 0 -2.338 -2.347 3.837 0.00 0.00 H+0 HETATM 145 H UNK 0 0.776 -3.566 4.174 0.00 0.00 H+0 HETATM 146 H UNK 0 -1.523 -4.196 3.708 0.00 0.00 H+0 HETATM 147 H UNK 0 -1.539 -3.197 2.214 0.00 0.00 H+0 HETATM 148 H UNK 0 0.302 -5.548 2.812 0.00 0.00 H+0 HETATM 149 H UNK 0 0.347 -4.669 1.284 0.00 0.00 H+0 HETATM 150 H UNK 0 -2.140 -5.313 0.910 0.00 0.00 H+0 HETATM 151 H UNK 0 -1.964 -6.274 2.444 0.00 0.00 H+0 HETATM 152 H UNK 0 -0.390 -6.616 -0.171 0.00 0.00 H+0 HETATM 153 H UNK 0 -1.693 -7.677 0.473 0.00 0.00 H+0 HETATM 154 H UNK 0 -0.057 -7.674 2.541 0.00 0.00 H+0 HETATM 155 H UNK 0 1.038 -7.436 1.274 0.00 0.00 H+0 HETATM 156 H UNK 0 0.830 -2.835 1.330 0.00 0.00 H+0 HETATM 157 H UNK 0 2.537 -2.328 0.289 0.00 0.00 H+0 HETATM 158 H UNK 0 3.564 -4.307 1.146 0.00 0.00 H+0 HETATM 159 H UNK 0 4.769 -3.409 0.177 0.00 0.00 H+0 HETATM 160 H UNK 0 5.790 -2.439 2.243 0.00 0.00 H+0 HETATM 161 H UNK 0 4.596 -3.264 3.260 0.00 0.00 H+0 HETATM 162 H UNK 0 5.368 -5.422 2.557 0.00 0.00 H+0 HETATM 163 H UNK 0 6.532 -4.777 1.391 0.00 0.00 H+0 HETATM 164 H UNK 0 7.956 -4.305 3.241 0.00 0.00 H+0 HETATM 165 H UNK 0 4.995 -4.606 6.127 0.00 0.00 H+0 HETATM 166 H UNK 0 7.213 -4.883 6.761 0.00 0.00 H+0 HETATM 167 H UNK 0 8.447 -4.167 5.689 0.00 0.00 H+0 HETATM 168 H UNK 0 4.851 -0.809 1.486 0.00 0.00 H+0 HETATM 169 H UNK 0 5.581 -0.117 -1.734 0.00 0.00 H+0 HETATM 170 H UNK 0 5.748 2.383 -1.407 0.00 0.00 H+0 HETATM 171 H UNK 0 4.700 2.327 -0.014 0.00 0.00 H+0 HETATM 172 H UNK 0 6.770 2.414 0.874 0.00 0.00 H+0 HETATM 173 H UNK 0 6.383 0.716 1.076 0.00 0.00 H+0 HETATM 174 H UNK 0 8.689 1.092 0.405 0.00 0.00 H+0 HETATM 175 H UNK 0 8.189 1.879 -1.139 0.00 0.00 H+0 HETATM 176 H UNK 0 7.440 -1.018 -0.999 0.00 0.00 H+0 HETATM 177 H UNK 0 10.244 -1.825 -0.927 0.00 0.00 H+0 HETATM 178 H UNK 0 10.191 1.104 -3.134 0.00 0.00 H+0 HETATM 179 H UNK 0 8.577 0.613 -3.724 0.00 0.00 H+0 HETATM 180 H UNK 0 4.162 2.081 -2.675 0.00 0.00 H+0 HETATM 181 H UNK 0 3.406 1.921 -4.897 0.00 0.00 H+0 HETATM 182 H UNK 0 4.056 0.780 -6.787 0.00 0.00 H+0 HETATM 183 H UNK 0 5.117 0.446 -5.395 0.00 0.00 H+0 HETATM 184 H UNK 0 4.714 -1.483 -6.470 0.00 0.00 H+0 HETATM 185 H UNK 0 1.042 1.055 -4.604 0.00 0.00 H+0 HETATM 186 H UNK 0 -0.079 0.438 -7.853 0.00 0.00 H+0 HETATM 187 H UNK 0 -2.012 -1.046 -6.738 0.00 0.00 H+0 HETATM 188 H UNK 0 -2.557 -3.023 -7.299 0.00 0.00 H+0 HETATM 189 H UNK 0 -2.284 -4.369 -9.524 0.00 0.00 H+0 HETATM 190 H UNK 0 -0.558 -3.844 -9.449 0.00 0.00 H+0 HETATM 191 H UNK 0 -1.831 -2.395 -10.972 0.00 0.00 H+0 HETATM 192 H UNK 0 -1.250 -1.461 -9.509 0.00 0.00 H+0 HETATM 193 H UNK 0 -3.534 -0.839 -10.009 0.00 0.00 H+0 HETATM 194 H UNK 0 -3.471 -1.690 -8.472 0.00 0.00 H+0 HETATM 195 H UNK 0 -4.194 -3.795 -9.421 0.00 0.00 H+0 HETATM 196 H UNK 0 -4.221 -3.071 -11.050 0.00 0.00 H+0 HETATM 197 H UNK 0 -6.341 -3.111 -9.536 0.00 0.00 H+0 HETATM 198 H UNK 0 -6.024 -1.753 -10.520 0.00 0.00 H+0 HETATM 199 H UNK 0 -0.711 -5.374 -7.487 0.00 0.00 H+0 HETATM 200 H UNK 0 -2.215 -7.287 -5.766 0.00 0.00 H+0 HETATM 201 H UNK 0 -2.222 -5.798 -3.132 0.00 0.00 H+0 HETATM 202 H UNK 0 -3.703 -8.505 -1.746 0.00 0.00 H+0 HETATM 203 H UNK 0 -4.180 -5.617 -1.683 0.00 0.00 H+0 HETATM 204 H UNK 0 -3.668 -6.671 -0.419 0.00 0.00 H+0 HETATM 205 H UNK 0 -6.041 -6.747 -2.704 0.00 0.00 H+0 HETATM 206 H UNK 0 -5.927 -8.518 -2.841 0.00 0.00 H+0 HETATM 207 H UNK 0 -5.659 -6.868 -0.219 0.00 0.00 H+0 HETATM 208 H UNK 0 -5.667 -8.651 -0.384 0.00 0.00 H+0 HETATM 209 H UNK 0 -7.979 -5.426 -1.076 0.00 0.00 H+0 HETATM 210 H UNK 0 -9.625 -6.239 -1.109 0.00 0.00 H+0 HETATM 211 H UNK 0 -8.579 -6.308 -2.542 0.00 0.00 H+0 HETATM 212 H UNK 0 0.096 -6.044 -4.105 0.00 0.00 H+0 HETATM 213 H UNK 0 -0.869 -8.843 -4.829 0.00 0.00 H+0 HETATM 214 H UNK 0 0.834 -8.488 -4.437 0.00 0.00 H+0 HETATM 215 H UNK 0 -0.381 -8.159 -3.181 0.00 0.00 H+0 HETATM 216 H UNK 0 1.219 -6.027 -5.848 0.00 0.00 H+0 HETATM 217 H UNK 0 -1.444 0.981 -5.158 0.00 0.00 H+0 HETATM 218 H UNK 0 -3.056 1.079 -6.695 0.00 0.00 H+0 HETATM 219 H UNK 0 -1.861 1.302 -8.097 0.00 0.00 H+0 HETATM 220 H UNK 0 -2.281 2.654 -6.989 0.00 0.00 H+0 HETATM 221 H UNK 0 -0.686 2.949 -5.367 0.00 0.00 H+0 HETATM 222 H UNK 0 -2.674 8.032 1.642 0.00 0.00 H+0 HETATM 223 H UNK 0 -0.128 9.236 2.221 0.00 0.00 H+0 HETATM 224 H UNK 0 -2.336 9.868 0.530 0.00 0.00 H+0 HETATM 225 H UNK 0 -0.707 10.671 0.449 0.00 0.00 H+0 HETATM 226 H UNK 0 -1.146 9.363 -0.659 0.00 0.00 H+0 HETATM 227 H UNK 0 0.378 8.261 -1.351 0.00 0.00 H+0 HETATM 228 H UNK 0 2.712 6.966 -0.362 0.00 0.00 H+0 HETATM 229 H UNK 0 0.853 5.839 -2.542 0.00 0.00 H+0 HETATM 230 H UNK 0 2.573 5.472 -2.345 0.00 0.00 H+0 HETATM 231 H UNK 0 1.836 6.461 -4.977 0.00 0.00 H+0 HETATM 232 H UNK 0 2.525 8.097 -5.144 0.00 0.00 H+0 HETATM 233 H UNK 0 3.064 4.442 -0.230 0.00 0.00 H+0 HETATM 234 H UNK 0 2.422 2.468 0.653 0.00 0.00 H+0 HETATM 235 H UNK 0 -0.187 3.782 1.650 0.00 0.00 H+0 HETATM 236 H UNK 0 0.406 2.119 2.076 0.00 0.00 H+0 HETATM 237 H UNK 0 -1.061 3.946 -0.991 0.00 0.00 H+0 HETATM 238 H UNK 0 -2.156 2.643 -2.664 0.00 0.00 H+0 HETATM 239 H UNK 0 -2.154 -1.013 -2.840 0.00 0.00 H+0 HETATM 240 H UNK 0 -0.800 -0.932 -0.889 0.00 0.00 H+0 HETATM 241 H UNK 0 0.319 0.370 0.799 0.00 0.00 H+0 HETATM 242 H UNK 0 1.811 2.081 3.886 0.00 0.00 H+0 HETATM 243 H UNK 0 4.145 3.909 4.325 0.00 0.00 H+0 HETATM 244 H UNK 0 4.336 2.149 6.389 0.00 0.00 H+0 HETATM 245 H UNK 0 2.061 5.051 4.880 0.00 0.00 H+0 HETATM 246 H UNK 0 1.536 3.659 5.963 0.00 0.00 H+0 HETATM 247 H UNK 0 3.847 5.628 6.475 0.00 0.00 H+0 HETATM 248 H UNK 0 2.381 6.755 7.771 0.00 0.00 H+0 HETATM 249 H UNK 0 1.141 6.057 6.632 0.00 0.00 H+0 HETATM 250 H UNK 0 1.426 5.299 8.225 0.00 0.00 H+0 HETATM 251 H UNK 0 2.918 3.148 7.987 0.00 0.00 H+0 HETATM 252 H UNK 0 4.610 3.921 7.865 0.00 0.00 H+0 HETATM 253 H UNK 0 3.278 4.633 8.844 0.00 0.00 H+0 CONECT 1 2 123 124 125 CONECT 2 1 3 126 127 CONECT 3 2 4 5 128 CONECT 4 3 129 130 131 CONECT 5 3 6 88 132 CONECT 6 5 7 133 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 11 134 CONECT 10 9 135 136 137 CONECT 11 9 12 138 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 19 139 CONECT 15 14 16 140 141 CONECT 16 15 17 18 CONECT 17 16 142 143 CONECT 18 16 CONECT 19 14 20 144 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 23 28 145 CONECT 23 22 24 146 147 CONECT 24 23 25 148 149 CONECT 25 24 26 150 151 CONECT 26 25 27 152 153 CONECT 27 26 154 155 CONECT 28 22 29 156 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 39 157 CONECT 32 31 33 158 159 CONECT 33 32 34 160 161 CONECT 34 33 35 162 163 CONECT 35 34 36 164 CONECT 36 35 37 38 CONECT 37 36 165 CONECT 38 36 166 167 CONECT 39 31 40 168 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 43 50 169 CONECT 43 42 44 170 171 CONECT 44 43 45 172 173 CONECT 45 44 46 174 175 CONECT 46 45 47 176 CONECT 47 46 48 49 CONECT 48 47 177 CONECT 49 47 178 179 CONECT 50 42 51 180 CONECT 51 50 52 53 CONECT 52 51 CONECT 53 51 54 56 181 CONECT 54 53 55 182 183 CONECT 55 54 184 CONECT 56 53 57 185 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 57 60 85 186 CONECT 60 59 61 187 CONECT 61 60 62 63 CONECT 62 61 CONECT 63 61 64 69 188 CONECT 64 63 65 189 190 CONECT 65 64 66 191 192 CONECT 66 65 67 193 194 CONECT 67 66 68 195 196 CONECT 68 67 197 198 CONECT 69 63 70 199 CONECT 70 69 71 72 CONECT 71 70 CONECT 72 70 73 82 200 CONECT 73 72 74 201 CONECT 74 73 75 76 CONECT 75 74 CONECT 76 74 77 78 202 CONECT 77 76 203 204 CONECT 78 76 79 205 206 CONECT 79 78 80 207 208 CONECT 80 79 81 CONECT 81 80 209 210 211 CONECT 82 72 83 84 212 CONECT 83 82 213 214 215 CONECT 84 82 216 CONECT 85 59 86 87 217 CONECT 86 85 218 219 220 CONECT 87 85 221 CONECT 88 5 89 90 CONECT 89 88 CONECT 90 88 91 222 CONECT 91 90 92 93 223 CONECT 92 91 224 225 226 CONECT 93 91 94 95 CONECT 94 93 CONECT 95 93 96 227 CONECT 96 95 97 101 228 CONECT 97 96 98 229 230 CONECT 98 97 99 100 CONECT 99 98 231 232 CONECT 100 98 CONECT 101 96 102 103 CONECT 102 101 CONECT 103 101 104 233 CONECT 104 103 105 113 234 CONECT 105 104 106 235 236 CONECT 106 105 107 112 CONECT 107 106 108 237 CONECT 108 107 109 238 CONECT 109 108 110 111 CONECT 110 109 239 CONECT 111 109 112 240 CONECT 112 111 106 241 CONECT 113 104 114 115 CONECT 114 113 CONECT 115 113 116 242 CONECT 116 115 117 119 243 CONECT 117 116 118 244 CONECT 118 117 CONECT 119 116 120 245 246 CONECT 120 119 121 122 247 CONECT 121 120 248 249 250 CONECT 122 120 251 252 253 CONECT 123 1 CONECT 124 1 CONECT 125 1 CONECT 126 2 CONECT 127 2 CONECT 128 3 CONECT 129 4 CONECT 130 4 CONECT 131 4 CONECT 132 5 CONECT 133 6 CONECT 134 9 CONECT 135 10 CONECT 136 10 CONECT 137 10 CONECT 138 11 CONECT 139 14 CONECT 140 15 CONECT 141 15 CONECT 142 17 CONECT 143 17 CONECT 144 19 CONECT 145 22 CONECT 146 23 CONECT 147 23 CONECT 148 24 CONECT 149 24 CONECT 150 25 CONECT 151 25 CONECT 152 26 CONECT 153 26 CONECT 154 27 CONECT 155 27 CONECT 156 28 CONECT 157 31 CONECT 158 32 CONECT 159 32 CONECT 160 33 CONECT 161 33 CONECT 162 34 CONECT 163 34 CONECT 164 35 CONECT 165 37 CONECT 166 38 CONECT 167 38 CONECT 168 39 CONECT 169 42 CONECT 170 43 CONECT 171 43 CONECT 172 44 CONECT 173 44 CONECT 174 45 CONECT 175 45 CONECT 176 46 CONECT 177 48 CONECT 178 49 CONECT 179 49 CONECT 180 50 CONECT 181 53 CONECT 182 54 CONECT 183 54 CONECT 184 55 CONECT 185 56 CONECT 186 59 CONECT 187 60 CONECT 188 63 CONECT 189 64 CONECT 190 64 CONECT 191 65 CONECT 192 65 CONECT 193 66 CONECT 194 66 CONECT 195 67 CONECT 196 67 CONECT 197 68 CONECT 198 68 CONECT 199 69 CONECT 200 72 CONECT 201 73 CONECT 202 76 CONECT 203 77 CONECT 204 77 CONECT 205 78 CONECT 206 78 CONECT 207 79 CONECT 208 79 CONECT 209 81 CONECT 210 81 CONECT 211 81 CONECT 212 82 CONECT 213 83 CONECT 214 83 CONECT 215 83 CONECT 216 84 CONECT 217 85 CONECT 218 86 CONECT 219 86 CONECT 220 86 CONECT 221 87 CONECT 222 90 CONECT 223 91 CONECT 224 92 CONECT 225 92 CONECT 226 92 CONECT 227 95 CONECT 228 96 CONECT 229 97 CONECT 230 97 CONECT 231 99 CONECT 232 99 CONECT 233 103 CONECT 234 104 CONECT 235 105 CONECT 236 105 CONECT 237 107 CONECT 238 108 CONECT 239 110 CONECT 240 111 CONECT 241 112 CONECT 242 115 CONECT 243 116 CONECT 244 117 CONECT 245 119 CONECT 246 119 CONECT 247 120 CONECT 248 121 CONECT 249 121 CONECT 250 121 CONECT 251 122 CONECT 252 122 CONECT 253 122 MASTER 0 0 0 0 0 0 0 0 253 0 506 0 END SMILES for NP0003627 (Plantaricin W)[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])[C@@]([H])(O[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C(=O)N([H])[C@]([H])(C([H])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0003627 (Plantaricin W)InChI=1S/C75H131N25O21S/c1-10-38(4)57(71(119)88-39(5)60(108)94-53(34-56(80)107)69(117)95-51(32-43-21-23-45(105)24-22-43)68(116)89-44(35-101)31-37(2)3)98-61(109)40(6)87-67(115)52(33-55(79)106)96-65(113)47(17-11-13-26-76)90-63(111)49(19-15-28-85-74(81)82)91-64(112)50(20-16-29-86-75(83)84)92-70(118)54(36-102)97-73(121)59(42(8)104)100-66(114)48(18-12-14-27-77)93-72(120)58(41(7)103)99-62(110)46(78)25-30-122-9/h21-24,35,37-42,44,46-54,57-59,102-105H,10-20,25-34,36,76-78H2,1-9H3,(H2,79,106)(H2,80,107)(H,87,115)(H,88,119)(H,89,116)(H,90,111)(H,91,112)(H,92,118)(H,93,120)(H,94,108)(H,95,117)(H,96,113)(H,97,121)(H,98,109)(H,99,110)(H,100,114)(H4,81,82,85)(H4,83,84,86)/t38-,39+,40+,41+,42-,44-,46-,47+,48+,49-,50-,51+,52+,53+,54+,57+,58+,59-/m0/s1 3D Structure for NP0003627 (Plantaricin W) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C75H131N25O21S | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1751.0900 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1749.96721 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2R)-2-[(2R)-2-[(2R,3S)-2-[(2R)-2-[(2R)-2-[(2R)-6-amino-2-[(2S)-2-{2-[(2R)-2-[(3S)-2-[(2R)-6-amino-2-[(2R,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]hexanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido}-5-carbamimidamidopentanamido]hexanamido]-3-carbamoylpropanamido]propanamido]-3-methylpentanamido]propanamido]-N-[(1R)-2-(4-hydroxyphenyl)-1-{[(2S)-4-methyl-1-oxopentan-2-yl]carbamoyl}ethyl]butanediamide | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2R)-2-[(2R)-2-[(2R,3S)-2-[(2R)-2-[(2R)-2-[(2R)-6-amino-2-[(2S)-2-{2-[(2R)-2-[(3S)-2-[(2R)-6-amino-2-[(2R,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]hexanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido}-5-carbamimidamidopentanamido]hexanamido]-3-carbamoylpropanamido]propanamido]-3-methylpentanamido]propanamido]-N-[(1R)-2-(4-hydroxyphenyl)-1-{[(2S)-4-methyl-1-oxopentan-2-yl]carbamoyl}ethyl]succinamide | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCC(C)C(NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CO)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(N)CCSC)C(C)O)C(C)O)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC(C)C)C=O | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C75H131N25O21S/c1-10-38(4)57(71(119)88-39(5)60(108)94-53(34-56(80)107)69(117)95-51(32-43-21-23-45(105)24-22-43)68(116)89-44(35-101)31-37(2)3)98-61(109)40(6)87-67(115)52(33-55(79)106)96-65(113)47(17-11-13-26-76)90-63(111)49(19-15-28-85-74(81)82)91-64(112)50(20-16-29-86-75(83)84)92-70(118)54(36-102)97-73(121)59(42(8)104)100-66(114)48(18-12-14-27-77)93-72(120)58(41(7)103)99-62(110)46(78)25-30-122-9/h21-24,35,37-42,44,46-54,57-59,102-105H,10-20,25-34,36,76-78H2,1-9H3,(H2,79,106)(H2,80,107)(H,87,115)(H,88,119)(H,89,116)(H,90,111)(H,91,112)(H,92,118)(H,93,120)(H,94,108)(H,95,117)(H,96,113)(H,97,121)(H,98,109)(H,99,110)(H,100,114)(H4,81,82,85)(H4,83,84,86) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | KAYJBPCHVFSMSY-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA012512 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78444579 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139586573 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
