Showing NP-Card for Lichenysin G14 (NP0001706)
Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-09-28 22:02:27 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 16:45:06 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0001706 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Lichenysin G14 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Lichenysin G14 is found in Bacillus. It was first documented in 1999 (PMID: 10395272). Based on a literature review very few articles have been published on 2-[(3S,6R,9S,12S,15R,18S,21S)-3-[(2S)-butan-2-yl]-5,8,11,14,17,20,23-heptahydroxy-21-[2-(C-hydroxycarbonimidoyl)ethyl]-25-(9-methyldecyl)-6,15,18-tris(2-methylpropyl)-2-oxo-12-(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-9-yl]acetic acid. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0001706 (Lichenysin G14)Mrv1652307012117053D 164164 0 0 0 0 999 V2000 3.9562 5.2889 -1.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8633 4.2552 -1.7610 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7340 3.3989 -0.5331 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1167 2.7055 -0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 2.3202 -0.7833 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4249 2.6262 -1.1207 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2784 3.8179 -1.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8823 4.0490 -2.3989 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 4.9358 -0.2967 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6766 6.2041 -1.0160 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8022 7.4100 -0.1755 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8813 7.4856 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7652 8.6749 -1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 4.5560 0.7806 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 3.4606 0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9407 2.7461 2.0064 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2046 2.9745 0.0379 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0543 4.1678 -0.4038 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6583 4.7634 0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 4.2641 1.9253 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4978 5.8606 0.7646 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1057 2.1133 0.7974 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2844 1.4691 0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9331 0.9889 1.4188 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8639 1.2665 -0.8812 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1326 2.0881 -1.1479 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2609 1.8095 -0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5997 1.8511 -2.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0910 -0.0765 -1.3502 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7558 -1.3359 -0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0429 -2.0428 -1.7334 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0518 -2.0615 0.3451 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4846 -1.9420 0.8101 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5188 -2.4952 -0.0869 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8804 -2.2362 0.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6219 -2.0012 -1.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8301 -3.5056 0.1867 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 -4.3313 0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -5.2528 1.6055 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3874 -4.3112 0.4980 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0635 -5.1031 -0.7467 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4751 -6.5315 -0.7167 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0588 -7.1641 -2.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8437 -7.3678 0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6542 -4.7003 1.6561 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 -4.1324 2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 -4.0448 3.3184 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3586 -3.6139 1.2086 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6152 -4.7242 0.9223 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2339 -5.2948 2.1671 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1661 -6.3758 1.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8962 -7.1645 2.6986 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3754 -6.6693 0.5345 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2272 -2.4311 1.7471 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4051 -1.7735 1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9518 -0.9993 2.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1074 -1.8918 0.0660 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8746 -0.6271 -0.2656 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3907 -0.8744 -0.2480 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8834 -1.3308 1.0661 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3138 -1.6220 1.1945 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3724 -0.6127 1.0917 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5298 0.2052 -0.1197 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7463 1.0597 -0.1432 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0868 0.4995 -0.2475 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6065 -0.4678 0.7312 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0803 -0.7603 0.3646 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1650 -1.3381 -1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9066 0.5064 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 0.3707 0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 1.4599 0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 1.7724 1.3349 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9590 4.8700 -1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9097 5.8591 -2.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7138 6.0333 -0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9111 4.7256 -1.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1131 3.6091 -2.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6632 3.9501 0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 2.0164 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8174 3.5397 -0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4429 2.2918 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2555 1.6427 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 1.7430 -1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6608 5.0690 0.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 6.3806 -1.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4855 6.1136 -1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1766 7.4934 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4762 7.5143 1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6898 6.7683 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3216 8.5439 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2855 8.9648 -1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 9.5016 -0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 8.4226 -2.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2202 5.2198 1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8343 2.3972 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3442 4.9474 -0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8171 3.9420 -1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2891 6.6843 1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7426 1.9979 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1246 1.6950 -1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9329 3.1860 -1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1132 1.2635 -0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7574 2.8047 0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0362 1.3855 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1502 2.7891 -2.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7480 1.7343 -3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3472 1.0543 -2.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6515 -0.0685 -2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3992 -1.6377 1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7831 -0.9472 1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5225 -2.5688 1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4827 -3.6374 -0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8616 -2.4933 1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6485 -2.8033 0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0892 -1.1655 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7600 -2.1725 -2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9248 -0.9447 -1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4681 -2.5679 -1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5311 -3.9916 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1343 -3.2555 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5299 -4.6330 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 -5.0701 -0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6011 -6.6560 -0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -7.2786 -2.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4746 -8.2055 -2.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4717 -6.6203 -2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6061 -8.4102 -0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8758 -6.9801 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5568 -7.5791 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0652 -5.4847 2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8009 -3.3175 0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 -5.5610 0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3303 -4.4885 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -4.5570 2.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 -5.7717 2.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 -8.1581 2.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 -6.6828 3.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3201 -1.9847 2.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8628 -2.7018 0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 -2.0960 -0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6448 -0.3357 -1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9254 -0.0542 -0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5049 -1.7501 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6203 -0.5158 1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2722 -2.2080 1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4373 -2.0995 2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5721 -2.5108 0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3059 -1.0665 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1238 0.1389 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3264 -0.3091 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6743 0.9896 -0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6475 1.8179 -1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7246 1.7756 0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2997 0.1358 -1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8102 1.3968 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1622 -1.4947 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5754 -0.1323 1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5233 -1.4778 1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0722 -1.9674 -1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3023 -2.0147 -1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2531 -0.5649 -1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8309 1.0566 -0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9595 0.1935 0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5456 1.1151 1.2505 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 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 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 34 36 1 0 0 0 0 32 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 40 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 48 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 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 67 69 1 0 0 0 0 58 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 71 5 1 0 0 0 0 1 73 1 0 0 0 0 1 74 1 0 0 0 0 1 75 1 0 0 0 0 2 76 1 0 0 0 0 2 77 1 0 0 0 0 3 78 1 1 0 0 0 4 79 1 0 0 0 0 4 80 1 0 0 0 0 4 81 1 0 0 0 0 5 82 1 6 0 0 0 6 83 1 0 0 0 0 9 84 1 1 0 0 0 10 85 1 0 0 0 0 10 86 1 0 0 0 0 11 87 1 1 0 0 0 12 88 1 0 0 0 0 12 89 1 0 0 0 0 12 90 1 0 0 0 0 13 91 1 0 0 0 0 13 92 1 0 0 0 0 13 93 1 0 0 0 0 14 94 1 0 0 0 0 17 95 1 6 0 0 0 18 96 1 0 0 0 0 18 97 1 0 0 0 0 21 98 1 0 0 0 0 22 99 1 0 0 0 0 25100 1 6 0 0 0 26101 1 6 0 0 0 27102 1 0 0 0 0 27103 1 0 0 0 0 27104 1 0 0 0 0 28105 1 0 0 0 0 28106 1 0 0 0 0 28107 1 0 0 0 0 29108 1 0 0 0 0 32109 1 1 0 0 0 33110 1 0 0 0 0 33111 1 0 0 0 0 34112 1 6 0 0 0 35113 1 0 0 0 0 35114 1 0 0 0 0 35115 1 0 0 0 0 36116 1 0 0 0 0 36117 1 0 0 0 0 36118 1 0 0 0 0 37119 1 0 0 0 0 40120 1 6 0 0 0 41121 1 0 0 0 0 41122 1 0 0 0 0 42123 1 1 0 0 0 43124 1 0 0 0 0 43125 1 0 0 0 0 43126 1 0 0 0 0 44127 1 0 0 0 0 44128 1 0 0 0 0 44129 1 0 0 0 0 45130 1 0 0 0 0 48131 1 6 0 0 0 49132 1 0 0 0 0 49133 1 0 0 0 0 50134 1 0 0 0 0 50135 1 0 0 0 0 52136 1 0 0 0 0 52137 1 0 0 0 0 54138 1 0 0 0 0 57139 1 0 0 0 0 57140 1 0 0 0 0 58141 1 6 0 0 0 59142 1 0 0 0 0 59143 1 0 0 0 0 60144 1 0 0 0 0 60145 1 0 0 0 0 61146 1 0 0 0 0 61147 1 0 0 0 0 62148 1 0 0 0 0 62149 1 0 0 0 0 63150 1 0 0 0 0 63151 1 0 0 0 0 64152 1 0 0 0 0 64153 1 0 0 0 0 65154 1 0 0 0 0 65155 1 0 0 0 0 66156 1 0 0 0 0 66157 1 0 0 0 0 67158 1 1 0 0 0 68159 1 0 0 0 0 68160 1 0 0 0 0 68161 1 0 0 0 0 69162 1 0 0 0 0 69163 1 0 0 0 0 69164 1 0 0 0 0 M END 3D MOL for NP0001706 (Lichenysin G14)RDKit 3D 164164 0 0 0 0 0 0 0 0999 V2000 3.9562 5.2889 -1.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8633 4.2552 -1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 3.3989 -0.5331 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1167 2.7055 -0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 2.3202 -0.7833 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4249 2.6262 -1.1207 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2784 3.8179 -1.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8823 4.0490 -2.3989 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 4.9358 -0.2967 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6766 6.2041 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8022 7.4100 -0.1755 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8813 7.4856 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7652 8.6749 -1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 4.5560 0.7806 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 3.4606 0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9407 2.7461 2.0064 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2046 2.9745 0.0379 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0543 4.1678 -0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 4.7634 0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 4.2641 1.9253 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4978 5.8606 0.7646 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1057 2.1133 0.7974 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2844 1.4691 0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9331 0.9889 1.4188 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8639 1.2665 -0.8812 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1326 2.0881 -1.1479 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2609 1.8095 -0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5997 1.8511 -2.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0910 -0.0765 -1.3502 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7558 -1.3359 -0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0429 -2.0428 -1.7334 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0518 -2.0615 0.3451 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4846 -1.9420 0.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5188 -2.4952 -0.0869 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8804 -2.2362 0.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6219 -2.0012 -1.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8301 -3.5056 0.1867 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 -4.3313 0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -5.2528 1.6055 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3874 -4.3112 0.4980 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0635 -5.1031 -0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4751 -6.5315 -0.7167 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0588 -7.1641 -2.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8437 -7.3678 0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6542 -4.7003 1.6561 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 -4.1324 2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 -4.0448 3.3184 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3586 -3.6139 1.2086 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6152 -4.7242 0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2339 -5.2948 2.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 -6.3758 1.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8962 -7.1645 2.6986 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3754 -6.6693 0.5345 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2272 -2.4311 1.7471 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4051 -1.7735 1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9518 -0.9993 2.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1074 -1.8918 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8746 -0.6271 -0.2656 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3907 -0.8744 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8834 -1.3308 1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3138 -1.6220 1.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3724 -0.6127 1.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5298 0.2052 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7463 1.0597 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0868 0.4995 -0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6065 -0.4678 0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0803 -0.7603 0.3646 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1650 -1.3381 -1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9066 0.5064 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 0.3707 0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 1.4599 0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 1.7724 1.3349 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9590 4.8700 -1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9097 5.8591 -2.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7138 6.0333 -0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9111 4.7256 -1.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1131 3.6091 -2.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6632 3.9501 0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 2.0164 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8174 3.5397 -0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4429 2.2918 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2555 1.6427 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 1.7430 -1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6608 5.0690 0.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 6.3806 -1.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4855 6.1136 -1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1766 7.4934 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4762 7.5143 1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6898 6.7683 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3216 8.5439 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2855 8.9648 -1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 9.5016 -0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 8.4226 -2.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2202 5.2198 1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8343 2.3972 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3442 4.9474 -0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8171 3.9420 -1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2891 6.6843 1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7426 1.9979 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1246 1.6950 -1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9329 3.1860 -1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1132 1.2635 -0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7574 2.8047 0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0362 1.3855 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1502 2.7891 -2.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7480 1.7343 -3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3472 1.0543 -2.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6515 -0.0685 -2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3992 -1.6377 1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7831 -0.9472 1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5225 -2.5688 1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4827 -3.6374 -0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8616 -2.4933 1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6485 -2.8033 0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0892 -1.1655 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7600 -2.1725 -2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9248 -0.9447 -1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4681 -2.5679 -1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5311 -3.9916 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1343 -3.2555 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5299 -4.6330 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 -5.0701 -0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6011 -6.6560 -0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -7.2786 -2.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4746 -8.2055 -2.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4717 -6.6203 -2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6061 -8.4102 -0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8758 -6.9801 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5568 -7.5791 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0652 -5.4847 2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8009 -3.3175 0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 -5.5610 0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3303 -4.4885 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -4.5570 2.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 -5.7717 2.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 -8.1581 2.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 -6.6828 3.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3201 -1.9847 2.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8628 -2.7018 0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 -2.0960 -0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6448 -0.3357 -1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9254 -0.0542 -0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5049 -1.7501 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6203 -0.5158 1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2722 -2.2080 1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4373 -2.0995 2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5721 -2.5108 0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3059 -1.0665 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1238 0.1389 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3264 -0.3091 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6743 0.9896 -0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6475 1.8179 -1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7246 1.7756 0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2997 0.1358 -1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8102 1.3968 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1622 -1.4947 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5754 -0.1323 1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5233 -1.4778 1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0722 -1.9674 -1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3023 -2.0147 -1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2531 -0.5649 -1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8309 1.0566 -0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9595 0.1935 0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5456 1.1151 1.2505 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 10 11 1 0 11 12 1 0 11 13 1 0 9 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 17 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 25 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 32 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 40 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 2 0 48 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 67 69 1 0 58 70 1 0 70 71 1 0 71 72 2 0 71 5 1 0 1 73 1 0 1 74 1 0 1 75 1 0 2 76 1 0 2 77 1 0 3 78 1 1 4 79 1 0 4 80 1 0 4 81 1 0 5 82 1 6 6 83 1 0 9 84 1 1 10 85 1 0 10 86 1 0 11 87 1 1 12 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 13 92 1 0 13 93 1 0 14 94 1 0 17 95 1 6 18 96 1 0 18 97 1 0 21 98 1 0 22 99 1 0 25100 1 6 26101 1 6 27102 1 0 27103 1 0 27104 1 0 28105 1 0 28106 1 0 28107 1 0 29108 1 0 32109 1 1 33110 1 0 33111 1 0 34112 1 6 35113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 36118 1 0 37119 1 0 40120 1 6 41121 1 0 41122 1 0 42123 1 1 43124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 44129 1 0 45130 1 0 48131 1 6 49132 1 0 49133 1 0 50134 1 0 50135 1 0 52136 1 0 52137 1 0 54138 1 0 57139 1 0 57140 1 0 58141 1 6 59142 1 0 59143 1 0 60144 1 0 60145 1 0 61146 1 0 61147 1 0 62148 1 0 62149 1 0 63150 1 0 63151 1 0 64152 1 0 64153 1 0 65154 1 0 65155 1 0 66156 1 0 66157 1 0 67158 1 1 68159 1 0 68160 1 0 68161 1 0 69162 1 0 69163 1 0 69164 1 0 M END 3D SDF for NP0001706 (Lichenysin G14)Mrv1652307012117053D 164164 0 0 0 0 999 V2000 3.9562 5.2889 -1.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8633 4.2552 -1.7610 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7340 3.3989 -0.5331 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1167 2.7055 -0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 2.3202 -0.7833 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4249 2.6262 -1.1207 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2784 3.8179 -1.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8823 4.0490 -2.3989 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 4.9358 -0.2967 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6766 6.2041 -1.0160 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8022 7.4100 -0.1755 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8813 7.4856 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7652 8.6749 -1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 4.5560 0.7806 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 3.4606 0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9407 2.7461 2.0064 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2046 2.9745 0.0379 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0543 4.1678 -0.4038 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6583 4.7634 0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 4.2641 1.9253 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4978 5.8606 0.7646 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1057 2.1133 0.7974 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2844 1.4691 0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9331 0.9889 1.4188 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8639 1.2665 -0.8812 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1326 2.0881 -1.1479 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2609 1.8095 -0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5997 1.8511 -2.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0910 -0.0765 -1.3502 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7558 -1.3359 -0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0429 -2.0428 -1.7334 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0518 -2.0615 0.3451 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4846 -1.9420 0.8101 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5188 -2.4952 -0.0869 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8804 -2.2362 0.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6219 -2.0012 -1.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8301 -3.5056 0.1867 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 -4.3313 0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -5.2528 1.6055 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3874 -4.3112 0.4980 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0635 -5.1031 -0.7467 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4751 -6.5315 -0.7167 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0588 -7.1641 -2.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8437 -7.3678 0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6542 -4.7003 1.6561 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 -4.1324 2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 -4.0448 3.3184 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3586 -3.6139 1.2086 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6152 -4.7242 0.9223 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2339 -5.2948 2.1671 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1661 -6.3758 1.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8962 -7.1645 2.6986 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3754 -6.6693 0.5345 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2272 -2.4311 1.7471 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4051 -1.7735 1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9518 -0.9993 2.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1074 -1.8918 0.0660 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8746 -0.6271 -0.2656 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3907 -0.8744 -0.2480 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8834 -1.3308 1.0661 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3138 -1.6220 1.1945 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3724 -0.6127 1.0917 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5298 0.2052 -0.1197 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7463 1.0597 -0.1432 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0868 0.4995 -0.2475 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6065 -0.4678 0.7312 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0803 -0.7603 0.3646 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1650 -1.3381 -1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9066 0.5064 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 0.3707 0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 1.4599 0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 1.7724 1.3349 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9590 4.8700 -1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9097 5.8591 -2.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7138 6.0333 -0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9111 4.7256 -1.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1131 3.6091 -2.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6632 3.9501 0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 2.0164 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8174 3.5397 -0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4429 2.2918 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2555 1.6427 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 1.7430 -1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6608 5.0690 0.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 6.3806 -1.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4855 6.1136 -1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1766 7.4934 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4762 7.5143 1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6898 6.7683 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3216 8.5439 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2855 8.9648 -1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 9.5016 -0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 8.4226 -2.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2202 5.2198 1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8343 2.3972 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3442 4.9474 -0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8171 3.9420 -1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2891 6.6843 1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7426 1.9979 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1246 1.6950 -1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9329 3.1860 -1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1132 1.2635 -0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7574 2.8047 0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0362 1.3855 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1502 2.7891 -2.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7480 1.7343 -3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3472 1.0543 -2.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6515 -0.0685 -2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3992 -1.6377 1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7831 -0.9472 1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5225 -2.5688 1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4827 -3.6374 -0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8616 -2.4933 1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6485 -2.8033 0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0892 -1.1655 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7600 -2.1725 -2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9248 -0.9447 -1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4681 -2.5679 -1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5311 -3.9916 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1343 -3.2555 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5299 -4.6330 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 -5.0701 -0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6011 -6.6560 -0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -7.2786 -2.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4746 -8.2055 -2.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4717 -6.6203 -2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6061 -8.4102 -0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8758 -6.9801 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5568 -7.5791 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0652 -5.4847 2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8009 -3.3175 0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 -5.5610 0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3303 -4.4885 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -4.5570 2.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 -5.7717 2.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 -8.1581 2.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 -6.6828 3.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3201 -1.9847 2.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8628 -2.7018 0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 -2.0960 -0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6448 -0.3357 -1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9254 -0.0542 -0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5049 -1.7501 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6203 -0.5158 1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2722 -2.2080 1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4373 -2.0995 2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5721 -2.5108 0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3059 -1.0665 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1238 0.1389 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3264 -0.3091 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6743 0.9896 -0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6475 1.8179 -1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7246 1.7756 0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2997 0.1358 -1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8102 1.3968 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1622 -1.4947 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5754 -0.1323 1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5233 -1.4778 1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0722 -1.9674 -1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3023 -2.0147 -1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2531 -0.5649 -1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8309 1.0566 -0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9595 0.1935 0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5456 1.1151 1.2505 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 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 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 34 36 1 0 0 0 0 32 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 40 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 48 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 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 67 69 1 0 0 0 0 58 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 71 5 1 0 0 0 0 1 73 1 0 0 0 0 1 74 1 0 0 0 0 1 75 1 0 0 0 0 2 76 1 0 0 0 0 2 77 1 0 0 0 0 3 78 1 1 0 0 0 4 79 1 0 0 0 0 4 80 1 0 0 0 0 4 81 1 0 0 0 0 5 82 1 6 0 0 0 6 83 1 0 0 0 0 9 84 1 1 0 0 0 10 85 1 0 0 0 0 10 86 1 0 0 0 0 11 87 1 1 0 0 0 12 88 1 0 0 0 0 12 89 1 0 0 0 0 12 90 1 0 0 0 0 13 91 1 0 0 0 0 13 92 1 0 0 0 0 13 93 1 0 0 0 0 14 94 1 0 0 0 0 17 95 1 6 0 0 0 18 96 1 0 0 0 0 18 97 1 0 0 0 0 21 98 1 0 0 0 0 22 99 1 0 0 0 0 25100 1 6 0 0 0 26101 1 6 0 0 0 27102 1 0 0 0 0 27103 1 0 0 0 0 27104 1 0 0 0 0 28105 1 0 0 0 0 28106 1 0 0 0 0 28107 1 0 0 0 0 29108 1 0 0 0 0 32109 1 1 0 0 0 33110 1 0 0 0 0 33111 1 0 0 0 0 34112 1 6 0 0 0 35113 1 0 0 0 0 35114 1 0 0 0 0 35115 1 0 0 0 0 36116 1 0 0 0 0 36117 1 0 0 0 0 36118 1 0 0 0 0 37119 1 0 0 0 0 40120 1 6 0 0 0 41121 1 0 0 0 0 41122 1 0 0 0 0 42123 1 1 0 0 0 43124 1 0 0 0 0 43125 1 0 0 0 0 43126 1 0 0 0 0 44127 1 0 0 0 0 44128 1 0 0 0 0 44129 1 0 0 0 0 45130 1 0 0 0 0 48131 1 6 0 0 0 49132 1 0 0 0 0 49133 1 0 0 0 0 50134 1 0 0 0 0 50135 1 0 0 0 0 52136 1 0 0 0 0 52137 1 0 0 0 0 54138 1 0 0 0 0 57139 1 0 0 0 0 57140 1 0 0 0 0 58141 1 6 0 0 0 59142 1 0 0 0 0 59143 1 0 0 0 0 60144 1 0 0 0 0 60145 1 0 0 0 0 61146 1 0 0 0 0 61147 1 0 0 0 0 62148 1 0 0 0 0 62149 1 0 0 0 0 63150 1 0 0 0 0 63151 1 0 0 0 0 64152 1 0 0 0 0 64153 1 0 0 0 0 65154 1 0 0 0 0 65155 1 0 0 0 0 66156 1 0 0 0 0 66157 1 0 0 0 0 67158 1 1 0 0 0 68159 1 0 0 0 0 68160 1 0 0 0 0 68161 1 0 0 0 0 69162 1 0 0 0 0 69163 1 0 0 0 0 69164 1 0 0 0 0 M END > <DATABASE_ID> NP0001706 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC(=O)C([H])([H])[C@]1([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])([H])[C@@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C1=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C52H92N8O12/c1-13-34(12)45-52(71)72-35(21-19-17-15-14-16-18-20-29(2)3)27-42(62)54-36(22-23-41(53)61)46(65)55-37(24-30(4)5)47(66)56-38(25-31(6)7)49(68)59-44(33(10)11)51(70)58-40(28-43(63)64)48(67)57-39(26-32(8)9)50(69)60-45/h29-40,44-45H,13-28H2,1-12H3,(H2,53,61)(H,54,62)(H,55,65)(H,56,66)(H,57,67)(H,58,70)(H,59,68)(H,60,69)(H,63,64)/t34-,35-,36-,37-,38+,39+,40-,44-,45-/m0/s1 > <INCHI_KEY> IYQZIEHADMFKMZ-XKNGEPHUSA-N > <FORMULA> C52H92N8O12 > <MOLECULAR_WEIGHT> 1021.352 > <EXACT_MASS> 1020.683470434 > <JCHEM_ACCEPTOR_COUNT> 11 > <JCHEM_ATOM_COUNT> 164 > <JCHEM_AVERAGE_POLARIZABILITY> 115.33046599801618 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 9 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 2-[(3S,6R,9S,12S,15R,18S,21S,25S)-3-[(2S)-butan-2-yl]-21-(2-carbamoylethyl)-25-(9-methyldecyl)-6,15,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]acetic acid > <ALOGPS_LOGP> 2.97 > <JCHEM_LOGP> 5.0679073033333335 > <ALOGPS_LOGS> -5.18 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> -1 > <JCHEM_PKA> 11.502745836993377 > <JCHEM_PKA_STRONGEST_ACIDIC> 4.194620478775342 > <JCHEM_POLAR_SURFACE_AREA> 310.39 > <JCHEM_REFRACTIVITY> 269.1953000000001 > <JCHEM_ROTATABLE_BOND_COUNT> 23 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 6.78e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> [(3S,6R,9S,12S,15R,18S,21S,25S)-3-[(2S)-butan-2-yl]-21-(2-carbamoylethyl)-12-isopropyl-25-(9-methyldecyl)-6,15,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]acetic acid > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0001706 (Lichenysin G14)RDKit 3D 164164 0 0 0 0 0 0 0 0999 V2000 3.9562 5.2889 -1.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8633 4.2552 -1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 3.3989 -0.5331 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1167 2.7055 -0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 2.3202 -0.7833 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4249 2.6262 -1.1207 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2784 3.8179 -1.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8823 4.0490 -2.3989 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 4.9358 -0.2967 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6766 6.2041 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8022 7.4100 -0.1755 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8813 7.4856 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7652 8.6749 -1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 4.5560 0.7806 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 3.4606 0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9407 2.7461 2.0064 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2046 2.9745 0.0379 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0543 4.1678 -0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 4.7634 0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 4.2641 1.9253 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4978 5.8606 0.7646 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1057 2.1133 0.7974 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2844 1.4691 0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9331 0.9889 1.4188 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8639 1.2665 -0.8812 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1326 2.0881 -1.1479 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2609 1.8095 -0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5997 1.8511 -2.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0910 -0.0765 -1.3502 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7558 -1.3359 -0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0429 -2.0428 -1.7334 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0518 -2.0615 0.3451 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4846 -1.9420 0.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5188 -2.4952 -0.0869 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8804 -2.2362 0.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6219 -2.0012 -1.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8301 -3.5056 0.1867 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 -4.3313 0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -5.2528 1.6055 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3874 -4.3112 0.4980 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0635 -5.1031 -0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4751 -6.5315 -0.7167 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0588 -7.1641 -2.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8437 -7.3678 0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6542 -4.7003 1.6561 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 -4.1324 2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 -4.0448 3.3184 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3586 -3.6139 1.2086 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6152 -4.7242 0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2339 -5.2948 2.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 -6.3758 1.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8962 -7.1645 2.6986 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3754 -6.6693 0.5345 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2272 -2.4311 1.7471 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4051 -1.7735 1.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9518 -0.9993 2.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1074 -1.8918 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8746 -0.6271 -0.2656 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3907 -0.8744 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8834 -1.3308 1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3138 -1.6220 1.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3724 -0.6127 1.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5298 0.2052 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7463 1.0597 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0868 0.4995 -0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6065 -0.4678 0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0803 -0.7603 0.3646 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1650 -1.3381 -1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9066 0.5064 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 0.3707 0.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 1.4599 0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 1.7724 1.3349 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9590 4.8700 -1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9097 5.8591 -2.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7138 6.0333 -0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9111 4.7256 -1.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1131 3.6091 -2.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6632 3.9501 0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 2.0164 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8174 3.5397 -0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4429 2.2918 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2555 1.6427 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 1.7430 -1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6608 5.0690 0.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 6.3806 -1.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4855 6.1136 -1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1766 7.4934 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4762 7.5143 1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6898 6.7683 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3216 8.5439 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2855 8.9648 -1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 9.5016 -0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 8.4226 -2.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2202 5.2198 1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8343 2.3972 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3442 4.9474 -0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8171 3.9420 -1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2891 6.6843 1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7426 1.9979 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1246 1.6950 -1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9329 3.1860 -1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1132 1.2635 -0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7574 2.8047 0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0362 1.3855 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1502 2.7891 -2.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7480 1.7343 -3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3472 1.0543 -2.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6515 -0.0685 -2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3992 -1.6377 1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7831 -0.9472 1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5225 -2.5688 1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4827 -3.6374 -0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8616 -2.4933 1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6485 -2.8033 0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0892 -1.1655 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7600 -2.1725 -2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9248 -0.9447 -1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4681 -2.5679 -1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5311 -3.9916 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1343 -3.2555 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5299 -4.6330 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 -5.0701 -0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6011 -6.6560 -0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -7.2786 -2.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4746 -8.2055 -2.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4717 -6.6203 -2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6061 -8.4102 -0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8758 -6.9801 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5568 -7.5791 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0652 -5.4847 2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8009 -3.3175 0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 -5.5610 0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3303 -4.4885 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -4.5570 2.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 -5.7717 2.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 -8.1581 2.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 -6.6828 3.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3201 -1.9847 2.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8628 -2.7018 0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 -2.0960 -0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6448 -0.3357 -1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9254 -0.0542 -0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5049 -1.7501 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6203 -0.5158 1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2722 -2.2080 1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4373 -2.0995 2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5721 -2.5108 0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3059 -1.0665 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1238 0.1389 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3264 -0.3091 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6743 0.9896 -0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6475 1.8179 -1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7246 1.7756 0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2997 0.1358 -1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8102 1.3968 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1622 -1.4947 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5754 -0.1323 1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5233 -1.4778 1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0722 -1.9674 -1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3023 -2.0147 -1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2531 -0.5649 -1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8309 1.0566 -0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9595 0.1935 0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5456 1.1151 1.2505 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 10 11 1 0 11 12 1 0 11 13 1 0 9 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 17 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 25 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 32 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 40 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 2 0 48 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 67 69 1 0 58 70 1 0 70 71 1 0 71 72 2 0 71 5 1 0 1 73 1 0 1 74 1 0 1 75 1 0 2 76 1 0 2 77 1 0 3 78 1 1 4 79 1 0 4 80 1 0 4 81 1 0 5 82 1 6 6 83 1 0 9 84 1 1 10 85 1 0 10 86 1 0 11 87 1 1 12 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 13 92 1 0 13 93 1 0 14 94 1 0 17 95 1 6 18 96 1 0 18 97 1 0 21 98 1 0 22 99 1 0 25100 1 6 26101 1 6 27102 1 0 27103 1 0 27104 1 0 28105 1 0 28106 1 0 28107 1 0 29108 1 0 32109 1 1 33110 1 0 33111 1 0 34112 1 6 35113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 36118 1 0 37119 1 0 40120 1 6 41121 1 0 41122 1 0 42123 1 1 43124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 44129 1 0 45130 1 0 48131 1 6 49132 1 0 49133 1 0 50134 1 0 50135 1 0 52136 1 0 52137 1 0 54138 1 0 57139 1 0 57140 1 0 58141 1 6 59142 1 0 59143 1 0 60144 1 0 60145 1 0 61146 1 0 61147 1 0 62148 1 0 62149 1 0 63150 1 0 63151 1 0 64152 1 0 64153 1 0 65154 1 0 65155 1 0 66156 1 0 66157 1 0 67158 1 1 68159 1 0 68160 1 0 68161 1 0 69162 1 0 69163 1 0 69164 1 0 M END PDB for NP0001706 (Lichenysin G14)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 3.956 5.289 -1.676 0.00 0.00 C+0 HETATM 2 C UNK 0 2.863 4.255 -1.761 0.00 0.00 C+0 HETATM 3 C UNK 0 2.734 3.399 -0.533 0.00 0.00 C+0 HETATM 4 C UNK 0 4.117 2.705 -0.415 0.00 0.00 C+0 HETATM 5 C UNK 0 1.761 2.320 -0.783 0.00 0.00 C+0 HETATM 6 N UNK 0 0.425 2.626 -1.121 0.00 0.00 N+0 HETATM 7 C UNK 0 -0.278 3.818 -1.310 0.00 0.00 C+0 HETATM 8 O UNK 0 -0.882 4.049 -2.399 0.00 0.00 O+0 HETATM 9 C UNK 0 -0.411 4.936 -0.297 0.00 0.00 C+0 HETATM 10 C UNK 0 -0.677 6.204 -1.016 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.802 7.410 -0.176 0.00 0.00 C+0 HETATM 12 C UNK 0 -1.881 7.486 0.827 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.765 8.675 -1.061 0.00 0.00 C+0 HETATM 14 N UNK 0 -1.260 4.556 0.781 0.00 0.00 N+0 HETATM 15 C UNK 0 -2.103 3.461 0.944 0.00 0.00 C+0 HETATM 16 O UNK 0 -1.941 2.746 2.006 0.00 0.00 O+0 HETATM 17 C UNK 0 -3.205 2.974 0.038 0.00 0.00 C+0 HETATM 18 C UNK 0 -4.054 4.168 -0.404 0.00 0.00 C+0 HETATM 19 C UNK 0 -4.658 4.763 0.806 0.00 0.00 C+0 HETATM 20 O UNK 0 -4.410 4.264 1.925 0.00 0.00 O+0 HETATM 21 O UNK 0 -5.498 5.861 0.765 0.00 0.00 O+0 HETATM 22 N UNK 0 -4.106 2.113 0.797 0.00 0.00 N+0 HETATM 23 C UNK 0 -5.284 1.469 0.410 0.00 0.00 C+0 HETATM 24 O UNK 0 -5.933 0.989 1.419 0.00 0.00 O+0 HETATM 25 C UNK 0 -5.864 1.266 -0.881 0.00 0.00 C+0 HETATM 26 C UNK 0 -7.133 2.088 -1.148 0.00 0.00 C+0 HETATM 27 C UNK 0 -8.261 1.810 -0.227 0.00 0.00 C+0 HETATM 28 C UNK 0 -7.600 1.851 -2.573 0.00 0.00 C+0 HETATM 29 N UNK 0 -6.091 -0.077 -1.350 0.00 0.00 N+0 HETATM 30 C UNK 0 -5.756 -1.336 -0.908 0.00 0.00 C+0 HETATM 31 O UNK 0 -5.043 -2.043 -1.733 0.00 0.00 O+0 HETATM 32 C UNK 0 -6.052 -2.062 0.345 0.00 0.00 C+0 HETATM 33 C UNK 0 -7.485 -1.942 0.810 0.00 0.00 C+0 HETATM 34 C UNK 0 -8.519 -2.495 -0.087 0.00 0.00 C+0 HETATM 35 C UNK 0 -9.880 -2.236 0.590 0.00 0.00 C+0 HETATM 36 C UNK 0 -8.622 -2.001 -1.468 0.00 0.00 C+0 HETATM 37 N UNK 0 -5.830 -3.506 0.187 0.00 0.00 N+0 HETATM 38 C UNK 0 -4.870 -4.331 0.754 0.00 0.00 C+0 HETATM 39 O UNK 0 -5.196 -5.253 1.605 0.00 0.00 O+0 HETATM 40 C UNK 0 -3.387 -4.311 0.498 0.00 0.00 C+0 HETATM 41 C UNK 0 -3.063 -5.103 -0.747 0.00 0.00 C+0 HETATM 42 C UNK 0 -3.475 -6.532 -0.717 0.00 0.00 C+0 HETATM 43 C UNK 0 -3.059 -7.164 -2.053 0.00 0.00 C+0 HETATM 44 C UNK 0 -2.844 -7.368 0.358 0.00 0.00 C+0 HETATM 45 N UNK 0 -2.654 -4.700 1.656 0.00 0.00 N+0 HETATM 46 C UNK 0 -1.442 -4.132 2.057 0.00 0.00 C+0 HETATM 47 O UNK 0 -1.229 -4.045 3.318 0.00 0.00 O+0 HETATM 48 C UNK 0 -0.359 -3.614 1.209 0.00 0.00 C+0 HETATM 49 C UNK 0 0.615 -4.724 0.922 0.00 0.00 C+0 HETATM 50 C UNK 0 1.234 -5.295 2.167 0.00 0.00 C+0 HETATM 51 C UNK 0 2.166 -6.376 1.749 0.00 0.00 C+0 HETATM 52 N UNK 0 2.896 -7.165 2.699 0.00 0.00 N+0 HETATM 53 O UNK 0 2.375 -6.669 0.535 0.00 0.00 O+0 HETATM 54 N UNK 0 0.227 -2.431 1.747 0.00 0.00 N+0 HETATM 55 C UNK 0 1.405 -1.774 1.377 0.00 0.00 C+0 HETATM 56 O UNK 0 1.952 -0.999 2.208 0.00 0.00 O+0 HETATM 57 C UNK 0 2.107 -1.892 0.066 0.00 0.00 C+0 HETATM 58 C UNK 0 2.875 -0.627 -0.266 0.00 0.00 C+0 HETATM 59 C UNK 0 4.391 -0.874 -0.248 0.00 0.00 C+0 HETATM 60 C UNK 0 4.883 -1.331 1.066 0.00 0.00 C+0 HETATM 61 C UNK 0 6.314 -1.622 1.194 0.00 0.00 C+0 HETATM 62 C UNK 0 7.372 -0.613 1.092 0.00 0.00 C+0 HETATM 63 C UNK 0 7.530 0.205 -0.120 0.00 0.00 C+0 HETATM 64 C UNK 0 8.746 1.060 -0.143 0.00 0.00 C+0 HETATM 65 C UNK 0 10.087 0.500 -0.248 0.00 0.00 C+0 HETATM 66 C UNK 0 10.607 -0.468 0.731 0.00 0.00 C+0 HETATM 67 C UNK 0 12.080 -0.760 0.365 0.00 0.00 C+0 HETATM 68 C UNK 0 12.165 -1.338 -1.017 0.00 0.00 C+0 HETATM 69 C UNK 0 12.907 0.506 0.405 0.00 0.00 C+0 HETATM 70 O UNK 0 2.553 0.371 0.649 0.00 0.00 O+0 HETATM 71 C UNK 0 1.738 1.460 0.447 0.00 0.00 C+0 HETATM 72 O UNK 0 0.916 1.772 1.335 0.00 0.00 O+0 HETATM 73 H UNK 0 4.959 4.870 -1.636 0.00 0.00 H+0 HETATM 74 H UNK 0 3.910 5.859 -2.651 0.00 0.00 H+0 HETATM 75 H UNK 0 3.714 6.033 -0.890 0.00 0.00 H+0 HETATM 76 H UNK 0 1.911 4.726 -1.992 0.00 0.00 H+0 HETATM 77 H UNK 0 3.113 3.609 -2.652 0.00 0.00 H+0 HETATM 78 H UNK 0 2.663 3.950 0.407 0.00 0.00 H+0 HETATM 79 H UNK 0 4.149 2.016 0.443 0.00 0.00 H+0 HETATM 80 H UNK 0 4.817 3.540 -0.122 0.00 0.00 H+0 HETATM 81 H UNK 0 4.443 2.292 -1.370 0.00 0.00 H+0 HETATM 82 H UNK 0 2.256 1.643 -1.553 0.00 0.00 H+0 HETATM 83 H UNK 0 -0.181 1.743 -1.268 0.00 0.00 H+0 HETATM 84 H UNK 0 0.661 5.069 0.074 0.00 0.00 H+0 HETATM 85 H UNK 0 0.241 6.381 -1.673 0.00 0.00 H+0 HETATM 86 H UNK 0 -1.486 6.114 -1.785 0.00 0.00 H+0 HETATM 87 H UNK 0 0.177 7.493 0.406 0.00 0.00 H+0 HETATM 88 H UNK 0 -1.476 7.514 1.876 0.00 0.00 H+0 HETATM 89 H UNK 0 -2.690 6.768 0.699 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.322 8.544 0.732 0.00 0.00 H+0 HETATM 91 H UNK 0 0.286 8.965 -1.267 0.00 0.00 H+0 HETATM 92 H UNK 0 -1.291 9.502 -0.526 0.00 0.00 H+0 HETATM 93 H UNK 0 -1.320 8.423 -2.005 0.00 0.00 H+0 HETATM 94 H UNK 0 -1.220 5.220 1.623 0.00 0.00 H+0 HETATM 95 H UNK 0 -2.834 2.397 -0.811 0.00 0.00 H+0 HETATM 96 H UNK 0 -3.344 4.947 -0.865 0.00 0.00 H+0 HETATM 97 H UNK 0 -4.817 3.942 -1.123 0.00 0.00 H+0 HETATM 98 H UNK 0 -5.289 6.684 1.340 0.00 0.00 H+0 HETATM 99 H UNK 0 -3.743 1.998 1.823 0.00 0.00 H+0 HETATM 100 H UNK 0 -5.125 1.695 -1.639 0.00 0.00 H+0 HETATM 101 H UNK 0 -6.933 3.186 -1.090 0.00 0.00 H+0 HETATM 102 H UNK 0 -9.113 1.264 -0.741 0.00 0.00 H+0 HETATM 103 H UNK 0 -8.757 2.805 0.013 0.00 0.00 H+0 HETATM 104 H UNK 0 -8.036 1.385 0.745 0.00 0.00 H+0 HETATM 105 H UNK 0 -8.150 2.789 -2.883 0.00 0.00 H+0 HETATM 106 H UNK 0 -6.748 1.734 -3.267 0.00 0.00 H+0 HETATM 107 H UNK 0 -8.347 1.054 -2.671 0.00 0.00 H+0 HETATM 108 H UNK 0 -6.652 -0.069 -2.279 0.00 0.00 H+0 HETATM 109 H UNK 0 -5.399 -1.638 1.120 0.00 0.00 H+0 HETATM 110 H UNK 0 -7.783 -0.947 1.128 0.00 0.00 H+0 HETATM 111 H UNK 0 -7.523 -2.569 1.754 0.00 0.00 H+0 HETATM 112 H UNK 0 -8.483 -3.637 -0.050 0.00 0.00 H+0 HETATM 113 H UNK 0 -9.862 -2.493 1.649 0.00 0.00 H+0 HETATM 114 H UNK 0 -10.649 -2.803 0.018 0.00 0.00 H+0 HETATM 115 H UNK 0 -10.089 -1.165 0.393 0.00 0.00 H+0 HETATM 116 H UNK 0 -7.760 -2.172 -2.119 0.00 0.00 H+0 HETATM 117 H UNK 0 -8.925 -0.945 -1.559 0.00 0.00 H+0 HETATM 118 H UNK 0 -9.468 -2.568 -1.969 0.00 0.00 H+0 HETATM 119 H UNK 0 -6.531 -3.992 -0.458 0.00 0.00 H+0 HETATM 120 H UNK 0 -3.134 -3.256 0.257 0.00 0.00 H+0 HETATM 121 H UNK 0 -3.530 -4.633 -1.642 0.00 0.00 H+0 HETATM 122 H UNK 0 -1.965 -5.070 -0.889 0.00 0.00 H+0 HETATM 123 H UNK 0 -4.601 -6.656 -0.723 0.00 0.00 H+0 HETATM 124 H UNK 0 -1.950 -7.279 -2.053 0.00 0.00 H+0 HETATM 125 H UNK 0 -3.475 -8.206 -2.059 0.00 0.00 H+0 HETATM 126 H UNK 0 -3.472 -6.620 -2.900 0.00 0.00 H+0 HETATM 127 H UNK 0 -2.606 -8.410 -0.018 0.00 0.00 H+0 HETATM 128 H UNK 0 -1.876 -6.980 0.709 0.00 0.00 H+0 HETATM 129 H UNK 0 -3.557 -7.579 1.210 0.00 0.00 H+0 HETATM 130 H UNK 0 -3.065 -5.485 2.258 0.00 0.00 H+0 HETATM 131 H UNK 0 -0.801 -3.317 0.224 0.00 0.00 H+0 HETATM 132 H UNK 0 -0.003 -5.561 0.482 0.00 0.00 H+0 HETATM 133 H UNK 0 1.330 -4.489 0.129 0.00 0.00 H+0 HETATM 134 H UNK 0 1.826 -4.557 2.736 0.00 0.00 H+0 HETATM 135 H UNK 0 0.444 -5.772 2.766 0.00 0.00 H+0 HETATM 136 H UNK 0 2.661 -8.158 2.805 0.00 0.00 H+0 HETATM 137 H UNK 0 3.635 -6.683 3.237 0.00 0.00 H+0 HETATM 138 H UNK 0 -0.320 -1.985 2.550 0.00 0.00 H+0 HETATM 139 H UNK 0 2.863 -2.702 0.118 0.00 0.00 H+0 HETATM 140 H UNK 0 1.390 -2.096 -0.760 0.00 0.00 H+0 HETATM 141 H UNK 0 2.645 -0.336 -1.333 0.00 0.00 H+0 HETATM 142 H UNK 0 4.925 -0.054 -0.697 0.00 0.00 H+0 HETATM 143 H UNK 0 4.505 -1.750 -0.973 0.00 0.00 H+0 HETATM 144 H UNK 0 4.620 -0.516 1.819 0.00 0.00 H+0 HETATM 145 H UNK 0 4.272 -2.208 1.449 0.00 0.00 H+0 HETATM 146 H UNK 0 6.437 -2.099 2.243 0.00 0.00 H+0 HETATM 147 H UNK 0 6.572 -2.511 0.501 0.00 0.00 H+0 HETATM 148 H UNK 0 8.306 -1.067 1.511 0.00 0.00 H+0 HETATM 149 H UNK 0 7.124 0.139 1.964 0.00 0.00 H+0 HETATM 150 H UNK 0 7.326 -0.309 -1.071 0.00 0.00 H+0 HETATM 151 H UNK 0 6.674 0.990 -0.062 0.00 0.00 H+0 HETATM 152 H UNK 0 8.648 1.818 -1.004 0.00 0.00 H+0 HETATM 153 H UNK 0 8.725 1.776 0.750 0.00 0.00 H+0 HETATM 154 H UNK 0 10.300 0.136 -1.317 0.00 0.00 H+0 HETATM 155 H UNK 0 10.810 1.397 -0.202 0.00 0.00 H+0 HETATM 156 H UNK 0 10.162 -1.495 0.636 0.00 0.00 H+0 HETATM 157 H UNK 0 10.575 -0.132 1.746 0.00 0.00 H+0 HETATM 158 H UNK 0 12.523 -1.478 1.075 0.00 0.00 H+0 HETATM 159 H UNK 0 13.072 -1.967 -1.075 0.00 0.00 H+0 HETATM 160 H UNK 0 11.302 -2.015 -1.202 0.00 0.00 H+0 HETATM 161 H UNK 0 12.253 -0.565 -1.805 0.00 0.00 H+0 HETATM 162 H UNK 0 12.831 1.057 -0.560 0.00 0.00 H+0 HETATM 163 H UNK 0 13.960 0.194 0.617 0.00 0.00 H+0 HETATM 164 H UNK 0 12.546 1.115 1.250 0.00 0.00 H+0 CONECT 1 2 73 74 75 CONECT 2 1 3 76 77 CONECT 3 2 4 5 78 CONECT 4 3 79 80 81 CONECT 5 3 6 71 82 CONECT 6 5 7 83 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 14 84 CONECT 10 9 11 85 86 CONECT 11 10 12 13 87 CONECT 12 11 88 89 90 CONECT 13 11 91 92 93 CONECT 14 9 15 94 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 22 95 CONECT 18 17 19 96 97 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 98 CONECT 22 17 23 99 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 29 100 CONECT 26 25 27 28 101 CONECT 27 26 102 103 104 CONECT 28 26 105 106 107 CONECT 29 25 30 108 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 37 109 CONECT 33 32 34 110 111 CONECT 34 33 35 36 112 CONECT 35 34 113 114 115 CONECT 36 34 116 117 118 CONECT 37 32 38 119 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 45 120 CONECT 41 40 42 121 122 CONECT 42 41 43 44 123 CONECT 43 42 124 125 126 CONECT 44 42 127 128 129 CONECT 45 40 46 130 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 54 131 CONECT 49 48 50 132 133 CONECT 50 49 51 134 135 CONECT 51 50 52 53 CONECT 52 51 136 137 CONECT 53 51 CONECT 54 48 55 138 CONECT 55 54 56 57 CONECT 56 55 CONECT 57 55 58 139 140 CONECT 58 57 59 70 141 CONECT 59 58 60 142 143 CONECT 60 59 61 144 145 CONECT 61 60 62 146 147 CONECT 62 61 63 148 149 CONECT 63 62 64 150 151 CONECT 64 63 65 152 153 CONECT 65 64 66 154 155 CONECT 66 65 67 156 157 CONECT 67 66 68 69 158 CONECT 68 67 159 160 161 CONECT 69 67 162 163 164 CONECT 70 58 71 CONECT 71 70 72 5 CONECT 72 71 CONECT 73 1 CONECT 74 1 CONECT 75 1 CONECT 76 2 CONECT 77 2 CONECT 78 3 CONECT 79 4 CONECT 80 4 CONECT 81 4 CONECT 82 5 CONECT 83 6 CONECT 84 9 CONECT 85 10 CONECT 86 10 CONECT 87 11 CONECT 88 12 CONECT 89 12 CONECT 90 12 CONECT 91 13 CONECT 92 13 CONECT 93 13 CONECT 94 14 CONECT 95 17 CONECT 96 18 CONECT 97 18 CONECT 98 21 CONECT 99 22 CONECT 100 25 CONECT 101 26 CONECT 102 27 CONECT 103 27 CONECT 104 27 CONECT 105 28 CONECT 106 28 CONECT 107 28 CONECT 108 29 CONECT 109 32 CONECT 110 33 CONECT 111 33 CONECT 112 34 CONECT 113 35 CONECT 114 35 CONECT 115 35 CONECT 116 36 CONECT 117 36 CONECT 118 36 CONECT 119 37 CONECT 120 40 CONECT 121 41 CONECT 122 41 CONECT 123 42 CONECT 124 43 CONECT 125 43 CONECT 126 43 CONECT 127 44 CONECT 128 44 CONECT 129 44 CONECT 130 45 CONECT 131 48 CONECT 132 49 CONECT 133 49 CONECT 134 50 CONECT 135 50 CONECT 136 52 CONECT 137 52 CONECT 138 54 CONECT 139 57 CONECT 140 57 CONECT 141 58 CONECT 142 59 CONECT 143 59 CONECT 144 60 CONECT 145 60 CONECT 146 61 CONECT 147 61 CONECT 148 62 CONECT 149 62 CONECT 150 63 CONECT 151 63 CONECT 152 64 CONECT 153 64 CONECT 154 65 CONECT 155 65 CONECT 156 66 CONECT 157 66 CONECT 158 67 CONECT 159 68 CONECT 160 68 CONECT 161 68 CONECT 162 69 CONECT 163 69 CONECT 164 69 MASTER 0 0 0 0 0 0 0 0 164 0 328 0 END SMILES for NP0001706 (Lichenysin G14)[H]OC(=O)C([H])([H])[C@]1([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])([H])[C@@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C1=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0001706 (Lichenysin G14)InChI=1S/C52H92N8O12/c1-13-34(12)45-52(71)72-35(21-19-17-15-14-16-18-20-29(2)3)27-42(62)54-36(22-23-41(53)61)46(65)55-37(24-30(4)5)47(66)56-38(25-31(6)7)49(68)59-44(33(10)11)51(70)58-40(28-43(63)64)48(67)57-39(26-32(8)9)50(69)60-45/h29-40,44-45H,13-28H2,1-12H3,(H2,53,61)(H,54,62)(H,55,65)(H,56,66)(H,57,67)(H,58,70)(H,59,68)(H,60,69)(H,63,64)/t34-,35-,36-,37-,38+,39+,40-,44-,45-/m0/s1 3D Structure for NP0001706 (Lichenysin G14) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C52H92N8O12 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1021.3520 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1020.68347 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 2-[(3S,6R,9S,12S,15R,18S,21S,25S)-3-[(2S)-butan-2-yl]-21-(2-carbamoylethyl)-25-(9-methyldecyl)-6,15,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]acetic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | [(3S,6R,9S,12S,15R,18S,21S,25S)-3-[(2S)-butan-2-yl]-21-(2-carbamoylethyl)-12-isopropyl-25-(9-methyldecyl)-6,15,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]acetic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCCCCCC(C)C)OC1=O)C(C)C | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C52H92N8O12/c1-13-34(12)45-52(71)72-35(21-19-17-15-14-16-18-20-29(2)3)27-42(62)54-36(22-23-41(53)61)46(65)55-37(24-30(4)5)47(66)56-38(25-31(6)7)49(68)59-44(33(10)11)51(70)58-40(28-43(63)64)48(67)57-39(26-32(8)9)50(69)60-45/h29-40,44-45H,13-28H2,1-12H3,(H2,53,61)(H,54,62)(H,55,65)(H,56,66)(H,57,67)(H,58,70)(H,59,68)(H,60,69)(H,63,64)/t34-,35?,36-,37-,38+,39+,40-,44-,45-/m0/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | IYQZIEHADMFKMZ-XKNGEPHUSA-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 | NPA009706 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78437411 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139585787 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
|