Showing NP-Card for Streptocidin Q (NP0018486)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 03:06:06 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:28:20 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0018486 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Streptocidin Q | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Streptocidin Q is found in Brevibacillus sp. Leaf182. It was first documented in 2018 (PMID: 30038309). Based on a literature review very few articles have been published on Streptocidin Q. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0018486 (Streptocidin Q)Mrv1652307042107413D 184189 0 0 0 0 999 V2000 7.4111 0.0917 -0.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 -1.0844 -0.2547 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5394 -1.8373 0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4316 -0.5257 0.3985 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6004 0.1330 -0.6350 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3723 0.7582 -0.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0525 1.4328 0.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1453 0.8821 1.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 2.6997 1.5572 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7759 3.2671 0.9852 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1208 4.5565 1.6892 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3588 4.3751 3.1728 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7071 5.7180 3.7861 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8861 6.2588 3.1801 N 0 0 2 0 0 0 0 0 0 0 0 0 2.4314 3.6422 1.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 4.4950 0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7269 5.6904 1.0427 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7363 4.1269 -0.7785 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1352 5.1097 -1.7985 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5563 6.4649 -1.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 5.2855 -1.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 3.3993 -1.0345 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 3.5017 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2091 2.4712 0.1221 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5709 4.7709 -0.3528 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1161 5.1059 -1.6859 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9242 6.3297 -1.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4051 7.6033 -2.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 8.5030 -2.1707 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5503 7.9134 -1.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8547 8.3973 -1.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9002 7.5560 -1.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5994 6.2370 -1.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3171 5.7471 -1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2585 6.5912 -1.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 4.8018 0.7988 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5541 4.2122 1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4683 5.0573 1.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9891 2.8020 1.3550 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1633 2.7234 2.3472 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7549 3.2126 3.7025 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9260 3.1314 4.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7985 3.6243 5.9693 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0226 2.6333 4.3012 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2978 2.1922 0.0858 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9900 1.0643 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0907 1.2790 -0.9579 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7156 -0.3692 -0.0709 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0467 -0.8939 1.2949 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4719 -0.7790 1.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4677 -0.2089 0.8165 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8312 -1.2108 2.7775 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4053 -0.8186 -0.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1598 -1.9275 -1.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0671 -1.9179 -1.9457 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0934 -3.0132 -1.5207 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7946 -2.8565 -2.8895 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7603 -3.9875 -3.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4266 -5.1853 -3.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3677 -6.1800 -3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6490 -6.0209 -3.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9938 -4.8184 -2.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0578 -3.8225 -2.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6226 -4.3614 -1.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3392 -4.8818 -1.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9097 -5.7020 -2.1341 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 -4.6148 -0.1646 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6610 -5.3748 1.0438 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6700 -6.8500 1.0410 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6403 -7.5375 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 -7.3046 2.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0482 -4.7318 -0.7703 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0977 -5.4554 -0.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3519 -6.4102 -1.3835 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1202 -5.3641 0.5104 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5061 -5.0767 1.9001 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7436 -4.9150 2.6955 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7203 -4.2973 1.7461 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0180 -4.2235 0.4538 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1576 -3.2488 -0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 -2.0706 -0.1634 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6995 -3.1854 -1.8700 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4268 -4.3836 -2.3912 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6222 -4.8592 -1.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5671 -5.8329 -0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7425 -6.3007 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9804 -5.8022 -0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0288 -4.8192 -1.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8608 -4.3725 -2.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4061 -1.9704 -2.2387 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3528 -0.6370 -1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0038 0.2129 -2.8409 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9703 0.4003 -1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4659 -0.2030 -1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3632 0.9876 -0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -1.7667 -1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1571 -1.1830 1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9288 -2.5458 1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2690 -2.4595 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9623 -1.3473 0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6888 0.2402 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2275 1.0666 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5683 0.6523 -0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8198 2.4105 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 3.4171 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6193 2.5780 1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3791 5.3549 1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0986 4.9565 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2655 3.7277 3.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5146 3.9296 3.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9583 5.4974 4.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 6.3957 3.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6521 6.4517 3.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6288 7.1879 2.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9086 3.7005 2.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 3.2979 -0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 4.6437 -2.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 6.8359 -0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 7.2371 -2.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 6.5092 -2.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8963 6.0683 -2.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0902 4.3003 -2.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1116 5.5702 -0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5515 2.6464 -1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7067 5.5433 -0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2493 5.2293 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7516 4.2934 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3588 7.7557 -2.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3365 9.5300 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0345 9.4558 -1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9043 7.9686 -1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4277 5.5752 -0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1163 4.7026 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 5.4896 1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2297 2.1513 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9986 3.3487 1.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5529 1.7250 2.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4455 4.2677 3.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9926 2.5330 4.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8913 4.0404 6.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5853 3.5956 6.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8865 2.7608 -0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 -0.9884 -0.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6719 -1.9355 1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4325 -0.3370 2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7997 -0.6656 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8834 0.7109 1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5758 -0.3187 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9641 -2.9346 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2593 -1.8803 -2.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0739 -2.9416 -3.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4107 -5.3305 -4.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1357 -7.1393 -4.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4017 -6.7808 -3.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9969 -4.6609 -2.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3065 -2.8831 -2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4134 -5.0853 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4097 -3.5218 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7934 -5.1171 1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2921 -4.9335 2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6752 -7.3066 0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1579 -8.0099 -0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1652 -8.3898 0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 -6.8693 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5352 -8.2566 2.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 -6.5371 3.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1396 -7.3426 2.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -4.0810 -1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6784 -6.2738 0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9504 -4.1210 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9164 -5.9499 2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 -4.2654 3.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0951 -5.8711 3.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9479 -3.2963 2.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5927 -4.9673 1.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7207 -3.2234 -2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7388 -4.0753 -3.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7014 -5.2238 -2.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 -6.2944 -0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6978 -7.0522 0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8747 -6.1796 -0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9769 -4.4377 -1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9144 -3.6291 -2.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -2.1477 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1 0 0 0 0 90184 1 0 0 0 0 M END 3D MOL for NP0018486 (Streptocidin Q)RDKit 3D 184189 0 0 0 0 0 0 0 0999 V2000 7.4111 0.0917 -0.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 -1.0844 -0.2547 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5394 -1.8373 0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4316 -0.5257 0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6004 0.1330 -0.6350 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3723 0.7582 -0.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0525 1.4328 0.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1453 0.8821 1.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 2.6997 1.5572 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7759 3.2671 0.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 4.5565 1.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3588 4.3751 3.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7071 5.7180 3.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8861 6.2588 3.1801 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4314 3.6422 1.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 4.4950 0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7269 5.6904 1.0427 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7363 4.1269 -0.7785 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1352 5.1097 -1.7985 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5563 6.4649 -1.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 5.2855 -1.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 3.3993 -1.0345 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 3.5017 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2091 2.4712 0.1221 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5709 4.7709 -0.3528 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1161 5.1059 -1.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9242 6.3297 -1.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4051 7.6033 -2.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 8.5030 -2.1707 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5503 7.9134 -1.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8547 8.3973 -1.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9002 7.5560 -1.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5994 6.2370 -1.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3171 5.7471 -1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2585 6.5912 -1.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 4.8018 0.7988 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5541 4.2122 1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4683 5.0573 1.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9891 2.8020 1.3550 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1633 2.7234 2.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7549 3.2126 3.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9260 3.1314 4.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7985 3.6243 5.9693 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0226 2.6333 4.3012 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2978 2.1922 0.0858 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9900 1.0643 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0907 1.2790 -0.9579 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7156 -0.3692 -0.0709 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0467 -0.8939 1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4719 -0.7790 1.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4677 -0.2089 0.8165 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8312 -1.2108 2.7775 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4053 -0.8186 -0.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1598 -1.9275 -1.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0671 -1.9179 -1.9457 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0934 -3.0132 -1.5207 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7946 -2.8565 -2.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7603 -3.9875 -3.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4266 -5.1853 -3.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3677 -6.1800 -3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6490 -6.0209 -3.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9938 -4.8184 -2.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0578 -3.8225 -2.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6226 -4.3614 -1.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3392 -4.8818 -1.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9097 -5.7020 -2.1341 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 -4.6148 -0.1646 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6610 -5.3748 1.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -6.8500 1.0410 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6403 -7.5375 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 -7.3046 2.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0482 -4.7318 -0.7703 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0977 -5.4554 -0.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3519 -6.4102 -1.3835 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1202 -5.3641 0.5104 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5061 -5.0767 1.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7436 -4.9150 2.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7203 -4.2973 1.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 -4.2235 0.4538 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1576 -3.2488 -0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 -2.0706 -0.1634 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6995 -3.1854 -1.8700 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4268 -4.3836 -2.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6222 -4.8592 -1.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5671 -5.8329 -0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7425 -6.3007 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9804 -5.8022 -0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0288 -4.8192 -1.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8608 -4.3725 -2.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4061 -1.9704 -2.2387 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3528 -0.6370 -1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0038 0.2129 -2.8409 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9703 0.4003 -1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4659 -0.2030 -1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3632 0.9876 -0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -1.7667 -1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1571 -1.1830 1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9288 -2.5458 1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2690 -2.4595 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9623 -1.3473 0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6888 0.2402 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2275 1.0666 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5683 0.6523 -0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8198 2.4105 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 3.4171 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6193 2.5780 1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3791 5.3549 1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0986 4.9565 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2655 3.7277 3.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5146 3.9296 3.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9583 5.4974 4.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 6.3957 3.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6521 6.4517 3.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6288 7.1879 2.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9086 3.7005 2.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 3.2979 -0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 4.6437 -2.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 6.8359 -0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 7.2371 -2.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 6.5092 -2.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8963 6.0683 -2.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0902 4.3003 -2.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1116 5.5702 -0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5515 2.6464 -1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7067 5.5433 -0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2493 5.2293 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7516 4.2934 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3588 7.7557 -2.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3365 9.5300 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0345 9.4558 -1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9043 7.9686 -1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4277 5.5752 -0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1163 4.7026 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 5.4896 1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2297 2.1513 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9986 3.3487 1.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5529 1.7250 2.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4455 4.2677 3.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9926 2.5330 4.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8913 4.0404 6.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5853 3.5956 6.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8865 2.7608 -0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 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0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 -6.8693 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5352 -8.2566 2.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 -6.5371 3.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1396 -7.3426 2.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -4.0810 -1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6784 -6.2738 0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9504 -4.1210 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9164 -5.9499 2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 -4.2654 3.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0951 -5.8711 3.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9479 -3.2963 2.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5927 -4.9673 1.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7207 -3.2234 -2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7388 -4.0753 -3.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7014 -5.2238 -2.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 -6.2944 -0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6978 -7.0522 0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8747 -6.1796 -0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9769 -4.4377 -1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9144 -3.6291 -2.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -2.1477 -3.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 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 12 13 1 0 13 14 1 0 9 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 18 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 25 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 2 0 39 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 50 52 2 0 48 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 2 0 56 64 1 0 64 65 1 0 65 66 2 0 65 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 69 71 1 0 67 72 1 0 72 73 1 0 73 74 2 0 73 75 1 0 75 76 1 0 76 77 1 0 77 78 1 0 78 79 1 0 79 80 1 0 80 81 2 0 80 82 1 0 82 83 1 0 83 84 1 0 84 85 2 0 85 86 1 0 86 87 2 0 87 88 1 0 88 89 2 0 82 90 1 0 90 91 1 0 91 92 2 0 91 5 1 0 35 27 1 0 63 58 1 0 79 75 1 0 89 84 1 0 35 30 1 0 1 93 1 0 1 94 1 0 1 95 1 0 2 96 1 6 3 97 1 0 3 98 1 0 3 99 1 0 4100 1 0 4101 1 0 5102 1 6 6103 1 0 9104 1 1 10105 1 0 10106 1 0 11107 1 0 11108 1 0 12109 1 0 12110 1 0 13111 1 0 13112 1 0 14113 1 0 14114 1 0 15115 1 0 18116 1 6 19117 1 6 20118 1 0 20119 1 0 20120 1 0 21121 1 0 21122 1 0 21123 1 0 22124 1 0 25125 1 1 26126 1 0 26127 1 0 28128 1 0 29129 1 0 31130 1 0 32131 1 0 33132 1 0 34133 1 0 36134 1 0 39135 1 1 40136 1 0 40137 1 0 41138 1 0 41139 1 0 43140 1 0 43141 1 0 45142 1 0 48143 1 6 49144 1 0 49145 1 0 51146 1 0 51147 1 0 53148 1 0 56149 1 1 57150 1 0 57151 1 0 59152 1 0 60153 1 0 61154 1 0 62155 1 0 63156 1 0 64157 1 0 67158 1 1 68159 1 0 68160 1 0 69161 1 6 70162 1 0 70163 1 0 70164 1 0 71165 1 0 71166 1 0 71167 1 0 72168 1 0 75169 1 1 76170 1 0 76171 1 0 77172 1 0 77173 1 0 78174 1 0 78175 1 0 82176 1 6 83177 1 0 83178 1 0 85179 1 0 86180 1 0 87181 1 0 88182 1 0 89183 1 0 90184 1 0 M END 3D SDF for NP0018486 (Streptocidin Q)Mrv1652307042107413D 184189 0 0 0 0 999 V2000 7.4111 0.0917 -0.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 -1.0844 -0.2547 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5394 -1.8373 0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4316 -0.5257 0.3985 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6004 0.1330 -0.6350 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3723 0.7582 -0.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0525 1.4328 0.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1453 0.8821 1.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 2.6997 1.5572 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7759 3.2671 0.9852 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1208 4.5565 1.6892 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3588 4.3751 3.1728 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7071 5.7180 3.7861 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8861 6.2588 3.1801 N 0 0 2 0 0 0 0 0 0 0 0 0 2.4314 3.6422 1.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 4.4950 0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7269 5.6904 1.0427 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7363 4.1269 -0.7785 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1352 5.1097 -1.7985 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5563 6.4649 -1.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 5.2855 -1.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 3.3993 -1.0345 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 3.5017 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2091 2.4712 0.1221 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5709 4.7709 -0.3528 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1161 5.1059 -1.6859 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9242 6.3297 -1.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4051 7.6033 -2.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 8.5030 -2.1707 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5503 7.9134 -1.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8547 8.3973 -1.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9002 7.5560 -1.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5994 6.2370 -1.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3171 5.7471 -1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2585 6.5912 -1.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 4.8018 0.7988 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5541 4.2122 1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4683 5.0573 1.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9891 2.8020 1.3550 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1633 2.7234 2.3472 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7549 3.2126 3.7025 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9260 3.1314 4.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7985 3.6243 5.9693 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0226 2.6333 4.3012 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2978 2.1922 0.0858 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9900 1.0643 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0907 1.2790 -0.9579 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7156 -0.3692 -0.0709 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0467 -0.8939 1.2949 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4719 -0.7790 1.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4677 -0.2089 0.8165 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8312 -1.2108 2.7775 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4053 -0.8186 -0.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1598 -1.9275 -1.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0671 -1.9179 -1.9457 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0934 -3.0132 -1.5207 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7946 -2.8565 -2.8895 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7603 -3.9875 -3.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4266 -5.1853 -3.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3677 -6.1800 -3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6490 -6.0209 -3.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9938 -4.8184 -2.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0578 -3.8225 -2.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6226 -4.3614 -1.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3392 -4.8818 -1.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9097 -5.7020 -2.1341 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 -4.6148 -0.1646 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6610 -5.3748 1.0438 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6700 -6.8500 1.0410 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6403 -7.5375 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 -7.3046 2.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0482 -4.7318 -0.7703 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0977 -5.4554 -0.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3519 -6.4102 -1.3835 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1202 -5.3641 0.5104 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5061 -5.0767 1.9001 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7436 -4.9150 2.6955 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7203 -4.2973 1.7461 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0180 -4.2235 0.4538 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1576 -3.2488 -0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 -2.0706 -0.1634 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6995 -3.1854 -1.8700 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4268 -4.3836 -2.3912 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6222 -4.8592 -1.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5671 -5.8329 -0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7425 -6.3007 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9804 -5.8022 -0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0288 -4.8192 -1.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8608 -4.3725 -2.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4061 -1.9704 -2.2387 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3528 -0.6370 -1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0038 0.2129 -2.8409 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9703 0.4003 -1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4659 -0.2030 -1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3632 0.9876 -0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -1.7667 -1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1571 -1.1830 1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9288 -2.5458 1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2690 -2.4595 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9623 -1.3473 0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6888 0.2402 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2275 1.0666 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5683 0.6523 -0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8198 2.4105 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 3.4171 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6193 2.5780 1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3791 5.3549 1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0986 4.9565 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2655 3.7277 3.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5146 3.9296 3.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9583 5.4974 4.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 6.3957 3.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6521 6.4517 3.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6288 7.1879 2.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9086 3.7005 2.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 3.2979 -0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 4.6437 -2.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 6.8359 -0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 7.2371 -2.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 6.5092 -2.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8963 6.0683 -2.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0902 4.3003 -2.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1116 5.5702 -0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5515 2.6464 -1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7067 5.5433 -0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2493 5.2293 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7516 4.2934 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3588 7.7557 -2.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3365 9.5300 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0345 9.4558 -1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9043 7.9686 -1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4277 5.5752 -0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1163 4.7026 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 5.4896 1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2297 2.1513 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9986 3.3487 1.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5529 1.7250 2.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4455 4.2677 3.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9926 2.5330 4.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8913 4.0404 6.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5853 3.5956 6.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8865 2.7608 -0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 -0.9884 -0.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6719 -1.9355 1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4325 -0.3370 2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7997 -0.6656 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8834 0.7109 1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5758 -0.3187 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9641 -2.9346 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2593 -1.8803 -2.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0739 -2.9416 -3.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4107 -5.3305 -4.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1357 -7.1393 -4.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4017 -6.7808 -3.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9969 -4.6609 -2.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3065 -2.8831 -2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4134 -5.0853 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4097 -3.5218 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7934 -5.1171 1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2921 -4.9335 2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6752 -7.3066 0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1579 -8.0099 -0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1652 -8.3898 0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 -6.8693 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5352 -8.2566 2.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 -6.5371 3.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1396 -7.3426 2.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -4.0810 -1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6784 -6.2738 0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9504 -4.1210 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9164 -5.9499 2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 -4.2654 3.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0951 -5.8711 3.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9479 -3.2963 2.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5927 -4.9673 1.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7207 -3.2234 -2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7388 -4.0753 -3.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7014 -5.2238 -2.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 -6.2944 -0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6978 -7.0522 0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8747 -6.1796 -0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9769 -4.4377 -1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9144 -3.6291 -2.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -2.1477 -3.0118 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 9 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 18 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 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 25 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 39 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 50 52 2 0 0 0 0 48 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 56 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 65 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 71 1 0 0 0 0 67 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 2 0 0 0 0 73 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 2 0 0 0 0 80 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 2 0 0 0 0 85 86 1 0 0 0 0 86 87 2 0 0 0 0 87 88 1 0 0 0 0 88 89 2 0 0 0 0 82 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 2 0 0 0 0 91 5 1 0 0 0 0 35 27 1 0 0 0 0 63 58 1 0 0 0 0 79 75 1 0 0 0 0 89 84 1 0 0 0 0 35 30 1 0 0 0 0 1 93 1 0 0 0 0 1 94 1 0 0 0 0 1 95 1 0 0 0 0 2 96 1 6 0 0 0 3 97 1 0 0 0 0 3 98 1 0 0 0 0 3 99 1 0 0 0 0 4100 1 0 0 0 0 4101 1 0 0 0 0 5102 1 6 0 0 0 6103 1 0 0 0 0 9104 1 1 0 0 0 10105 1 0 0 0 0 10106 1 0 0 0 0 11107 1 0 0 0 0 11108 1 0 0 0 0 12109 1 0 0 0 0 12110 1 0 0 0 0 13111 1 0 0 0 0 13112 1 0 0 0 0 14113 1 0 0 0 0 14114 1 0 0 0 0 15115 1 0 0 0 0 18116 1 6 0 0 0 19117 1 6 0 0 0 20118 1 0 0 0 0 20119 1 0 0 0 0 20120 1 0 0 0 0 21121 1 0 0 0 0 21122 1 0 0 0 0 21123 1 0 0 0 0 22124 1 0 0 0 0 25125 1 1 0 0 0 26126 1 0 0 0 0 26127 1 0 0 0 0 28128 1 0 0 0 0 29129 1 0 0 0 0 31130 1 0 0 0 0 32131 1 0 0 0 0 33132 1 0 0 0 0 34133 1 0 0 0 0 36134 1 0 0 0 0 39135 1 1 0 0 0 40136 1 0 0 0 0 40137 1 0 0 0 0 41138 1 0 0 0 0 41139 1 0 0 0 0 43140 1 0 0 0 0 43141 1 0 0 0 0 45142 1 0 0 0 0 48143 1 6 0 0 0 49144 1 0 0 0 0 49145 1 0 0 0 0 51146 1 0 0 0 0 51147 1 0 0 0 0 53148 1 0 0 0 0 56149 1 1 0 0 0 57150 1 0 0 0 0 57151 1 0 0 0 0 59152 1 0 0 0 0 60153 1 0 0 0 0 61154 1 0 0 0 0 62155 1 0 0 0 0 63156 1 0 0 0 0 64157 1 0 0 0 0 67158 1 1 0 0 0 68159 1 0 0 0 0 68160 1 0 0 0 0 69161 1 6 0 0 0 70162 1 0 0 0 0 70163 1 0 0 0 0 70164 1 0 0 0 0 71165 1 0 0 0 0 71166 1 0 0 0 0 71167 1 0 0 0 0 72168 1 0 0 0 0 75169 1 1 0 0 0 76170 1 0 0 0 0 76171 1 0 0 0 0 77172 1 0 0 0 0 77173 1 0 0 0 0 78174 1 0 0 0 0 78175 1 0 0 0 0 82176 1 6 0 0 0 83177 1 0 0 0 0 83178 1 0 0 0 0 85179 1 0 0 0 0 86180 1 0 0 0 0 87181 1 0 0 0 0 88182 1 0 0 0 0 89183 1 0 0 0 0 90184 1 0 0 0 0 M END > <DATABASE_ID> NP0018486 > <DATABASE_NAME> NP-MRD > <SMILES> [H]N([H])C(=O)C([H])([H])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@@]2([H])N(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])C1=O)C([H])([H])C1=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C13)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C(=O)N([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C66H92N14O12/c1-37(2)30-47-60(86)78-52(33-41-20-11-8-12-21-41)66(92)80-29-17-25-53(80)64(90)77-48(31-38(3)4)59(85)74-49(32-40-18-9-7-10-19-40)61(87)76-51(35-55(69)82)62(88)71-46(26-27-54(68)81)58(84)75-50(34-42-36-70-44-23-14-13-22-43(42)44)63(89)79-56(39(5)6)65(91)72-45(57(83)73-47)24-15-16-28-67/h7-14,18-23,36-39,45-53,56,70H,15-17,24-35,67H2,1-6H3,(H2,68,81)(H2,69,82)(H,71,88)(H,72,91)(H,73,83)(H,74,85)(H,75,84)(H,76,87)(H,77,90)(H,78,86)(H,79,89)/t45-,46-,47+,48-,49-,50-,51+,52+,53+,56+/m1/s1 > <INCHI_KEY> AVPHRVINWIRIKA-UHFFFAOYSA-N > <FORMULA> C66H92N14O12 > <MOLECULAR_WEIGHT> 1273.548 > <EXACT_MASS> 1272.701914458 > <JCHEM_ACCEPTOR_COUNT> 13 > <JCHEM_ATOM_COUNT> 184 > <JCHEM_AVERAGE_POLARIZABILITY> 137.33938368341504 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 13 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 3-[(3R,6R,9S,12R,15R,18S,21R,24S,27S,32aS)-21-(4-aminobutyl)-6,27-dibenzyl-9-(carbamoylmethyl)-15-[(1H-indol-3-yl)methyl]-3,24-bis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-18-(propan-2-yl)-dotriacontahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28-decaazacyclotriacontan-12-yl]propanamide > <ALOGPS_LOGP> 1.87 > <JCHEM_LOGP> 0.4398935313907618 > <ALOGPS_LOGS> -5.00 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 6 > <JCHEM_PHYSIOLOGICAL_CHARGE> 1 > <JCHEM_PKA> 11.864281722285046 > <JCHEM_PKA_STRONGEST_ACIDIC> 11.478036173215974 > <JCHEM_PKA_STRONGEST_BASIC> 10.180315229756928 > <JCHEM_POLAR_SURFACE_AREA> 410.1999999999998 > <JCHEM_REFRACTIVITY> 339.7318000000002 > <JCHEM_ROTATABLE_BOND_COUNT> 20 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.29e-02 g/l > <JCHEM_TRADITIONAL_IUPAC> 3-[(3R,6R,9S,12R,15R,18S,21R,24S,27S,32aS)-21-(4-aminobutyl)-6,27-dibenzyl-9-(carbamoylmethyl)-15-(1H-indol-3-ylmethyl)-18-isopropyl-3,24-bis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-docosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28-decaazacyclotriacontan-12-yl]propanamide > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0018486 (Streptocidin Q)RDKit 3D 184189 0 0 0 0 0 0 0 0999 V2000 7.4111 0.0917 -0.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 -1.0844 -0.2547 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5394 -1.8373 0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4316 -0.5257 0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6004 0.1330 -0.6350 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3723 0.7582 -0.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0525 1.4328 0.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1453 0.8821 1.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 2.6997 1.5572 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7759 3.2671 0.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 4.5565 1.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3588 4.3751 3.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7071 5.7180 3.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8861 6.2588 3.1801 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4314 3.6422 1.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 4.4950 0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7269 5.6904 1.0427 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7363 4.1269 -0.7785 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1352 5.1097 -1.7985 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5563 6.4649 -1.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 5.2855 -1.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 3.3993 -1.0345 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 3.5017 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2091 2.4712 0.1221 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5709 4.7709 -0.3528 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1161 5.1059 -1.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9242 6.3297 -1.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4051 7.6033 -2.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 8.5030 -2.1707 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5503 7.9134 -1.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8547 8.3973 -1.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9002 7.5560 -1.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5994 6.2370 -1.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3171 5.7471 -1.2955 C 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70 1 0 69 71 1 0 67 72 1 0 72 73 1 0 73 74 2 0 73 75 1 0 75 76 1 0 76 77 1 0 77 78 1 0 78 79 1 0 79 80 1 0 80 81 2 0 80 82 1 0 82 83 1 0 83 84 1 0 84 85 2 0 85 86 1 0 86 87 2 0 87 88 1 0 88 89 2 0 82 90 1 0 90 91 1 0 91 92 2 0 91 5 1 0 35 27 1 0 63 58 1 0 79 75 1 0 89 84 1 0 35 30 1 0 1 93 1 0 1 94 1 0 1 95 1 0 2 96 1 6 3 97 1 0 3 98 1 0 3 99 1 0 4100 1 0 4101 1 0 5102 1 6 6103 1 0 9104 1 1 10105 1 0 10106 1 0 11107 1 0 11108 1 0 12109 1 0 12110 1 0 13111 1 0 13112 1 0 14113 1 0 14114 1 0 15115 1 0 18116 1 6 19117 1 6 20118 1 0 20119 1 0 20120 1 0 21121 1 0 21122 1 0 21123 1 0 22124 1 0 25125 1 1 26126 1 0 26127 1 0 28128 1 0 29129 1 0 31130 1 0 32131 1 0 33132 1 0 34133 1 0 36134 1 0 39135 1 1 40136 1 0 40137 1 0 41138 1 0 41139 1 0 43140 1 0 43141 1 0 45142 1 0 48143 1 6 49144 1 0 49145 1 0 51146 1 0 51147 1 0 53148 1 0 56149 1 1 57150 1 0 57151 1 0 59152 1 0 60153 1 0 61154 1 0 62155 1 0 63156 1 0 64157 1 0 67158 1 1 68159 1 0 68160 1 0 69161 1 6 70162 1 0 70163 1 0 70164 1 0 71165 1 0 71166 1 0 71167 1 0 72168 1 0 75169 1 1 76170 1 0 76171 1 0 77172 1 0 77173 1 0 78174 1 0 78175 1 0 82176 1 6 83177 1 0 83178 1 0 85179 1 0 86180 1 0 87181 1 0 88182 1 0 89183 1 0 90184 1 0 M END PDB for NP0018486 (Streptocidin Q)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 7.411 0.092 -0.867 0.00 0.00 C+0 HETATM 2 C UNK 0 6.679 -1.084 -0.255 0.00 0.00 C+0 HETATM 3 C UNK 0 7.539 -1.837 0.721 0.00 0.00 C+0 HETATM 4 C UNK 0 5.432 -0.526 0.399 0.00 0.00 C+0 HETATM 5 C UNK 0 4.600 0.133 -0.635 0.00 0.00 C+0 HETATM 6 N UNK 0 3.372 0.758 -0.170 0.00 0.00 N+0 HETATM 7 C UNK 0 3.053 1.433 0.979 0.00 0.00 C+0 HETATM 8 O UNK 0 2.145 0.882 1.728 0.00 0.00 O+0 HETATM 9 C UNK 0 3.541 2.700 1.557 0.00 0.00 C+0 HETATM 10 C UNK 0 4.776 3.267 0.985 0.00 0.00 C+0 HETATM 11 C UNK 0 5.121 4.556 1.689 0.00 0.00 C+0 HETATM 12 C UNK 0 5.359 4.375 3.173 0.00 0.00 C+0 HETATM 13 C UNK 0 5.707 5.718 3.786 0.00 0.00 C+0 HETATM 14 N UNK 0 6.886 6.259 3.180 0.00 0.00 N+0 HETATM 15 N UNK 0 2.431 3.642 1.654 0.00 0.00 N+0 HETATM 16 C UNK 0 1.962 4.495 0.636 0.00 0.00 C+0 HETATM 17 O UNK 0 1.727 5.690 1.043 0.00 0.00 O+0 HETATM 18 C UNK 0 1.736 4.127 -0.779 0.00 0.00 C+0 HETATM 19 C UNK 0 2.135 5.110 -1.799 0.00 0.00 C+0 HETATM 20 C UNK 0 1.556 6.465 -1.805 0.00 0.00 C+0 HETATM 21 C UNK 0 3.660 5.285 -1.917 0.00 0.00 C+0 HETATM 22 N UNK 0 0.511 3.399 -1.034 0.00 0.00 N+0 HETATM 23 C UNK 0 -0.736 3.502 -0.419 0.00 0.00 C+0 HETATM 24 O UNK 0 -1.209 2.471 0.122 0.00 0.00 O+0 HETATM 25 C UNK 0 -1.571 4.771 -0.353 0.00 0.00 C+0 HETATM 26 C UNK 0 -2.116 5.106 -1.686 0.00 0.00 C+0 HETATM 27 C UNK 0 -2.924 6.330 -1.822 0.00 0.00 C+0 HETATM 28 C UNK 0 -2.405 7.603 -2.169 0.00 0.00 C+0 HETATM 29 N UNK 0 -3.385 8.503 -2.171 0.00 0.00 N+0 HETATM 30 C UNK 0 -4.550 7.913 -1.843 0.00 0.00 C+0 HETATM 31 C UNK 0 -5.855 8.397 -1.721 0.00 0.00 C+0 HETATM 32 C UNK 0 -6.900 7.556 -1.386 0.00 0.00 C+0 HETATM 33 C UNK 0 -6.599 6.237 -1.180 0.00 0.00 C+0 HETATM 34 C UNK 0 -5.317 5.747 -1.296 0.00 0.00 C+0 HETATM 35 C UNK 0 -4.258 6.591 -1.633 0.00 0.00 C+0 HETATM 36 N UNK 0 -2.384 4.802 0.799 0.00 0.00 N+0 HETATM 37 C UNK 0 -3.554 4.212 1.234 0.00 0.00 C+0 HETATM 38 O UNK 0 -4.468 5.057 1.622 0.00 0.00 O+0 HETATM 39 C UNK 0 -3.989 2.802 1.355 0.00 0.00 C+0 HETATM 40 C UNK 0 -5.163 2.723 2.347 0.00 0.00 C+0 HETATM 41 C UNK 0 -4.755 3.213 3.703 0.00 0.00 C+0 HETATM 42 C UNK 0 -5.926 3.131 4.651 0.00 0.00 C+0 HETATM 43 N UNK 0 -5.798 3.624 5.969 0.00 0.00 N+0 HETATM 44 O UNK 0 -7.023 2.633 4.301 0.00 0.00 O+0 HETATM 45 N UNK 0 -4.298 2.192 0.086 0.00 0.00 N+0 HETATM 46 C UNK 0 -4.990 1.064 -0.287 0.00 0.00 C+0 HETATM 47 O UNK 0 -6.091 1.279 -0.958 0.00 0.00 O+0 HETATM 48 C UNK 0 -4.716 -0.369 -0.071 0.00 0.00 C+0 HETATM 49 C UNK 0 -5.047 -0.894 1.295 0.00 0.00 C+0 HETATM 50 C UNK 0 -6.472 -0.779 1.657 0.00 0.00 C+0 HETATM 51 N UNK 0 -7.468 -0.209 0.817 0.00 0.00 N+0 HETATM 52 O UNK 0 -6.831 -1.211 2.777 0.00 0.00 O+0 HETATM 53 N UNK 0 -3.405 -0.819 -0.454 0.00 0.00 N+0 HETATM 54 C UNK 0 -3.160 -1.928 -1.330 0.00 0.00 C+0 HETATM 55 O UNK 0 -2.067 -1.918 -1.946 0.00 0.00 O+0 HETATM 56 C UNK 0 -4.093 -3.013 -1.521 0.00 0.00 C+0 HETATM 57 C UNK 0 -4.795 -2.857 -2.890 0.00 0.00 C+0 HETATM 58 C UNK 0 -5.760 -3.987 -3.046 0.00 0.00 C+0 HETATM 59 C UNK 0 -5.427 -5.185 -3.628 0.00 0.00 C+0 HETATM 60 C UNK 0 -6.368 -6.180 -3.724 0.00 0.00 C+0 HETATM 61 C UNK 0 -7.649 -6.021 -3.253 0.00 0.00 C+0 HETATM 62 C UNK 0 -7.994 -4.818 -2.666 0.00 0.00 C+0 HETATM 63 C UNK 0 -7.058 -3.822 -2.568 0.00 0.00 C+0 HETATM 64 N UNK 0 -3.623 -4.361 -1.385 0.00 0.00 N+0 HETATM 65 C UNK 0 -2.339 -4.882 -1.243 0.00 0.00 C+0 HETATM 66 O UNK 0 -1.910 -5.702 -2.134 0.00 0.00 O+0 HETATM 67 C UNK 0 -1.348 -4.615 -0.165 0.00 0.00 C+0 HETATM 68 C UNK 0 -1.661 -5.375 1.044 0.00 0.00 C+0 HETATM 69 C UNK 0 -1.670 -6.850 1.041 0.00 0.00 C+0 HETATM 70 C UNK 0 -2.640 -7.537 0.127 0.00 0.00 C+0 HETATM 71 C UNK 0 -2.041 -7.305 2.466 0.00 0.00 C+0 HETATM 72 N UNK 0 -0.048 -4.732 -0.770 0.00 0.00 N+0 HETATM 73 C UNK 0 1.098 -5.455 -0.534 0.00 0.00 C+0 HETATM 74 O UNK 0 1.352 -6.410 -1.383 0.00 0.00 O+0 HETATM 75 C UNK 0 2.120 -5.364 0.510 0.00 0.00 C+0 HETATM 76 C UNK 0 1.506 -5.077 1.900 0.00 0.00 C+0 HETATM 77 C UNK 0 2.744 -4.915 2.696 0.00 0.00 C+0 HETATM 78 C UNK 0 3.720 -4.297 1.746 0.00 0.00 C+0 HETATM 79 N UNK 0 3.018 -4.223 0.454 0.00 0.00 N+0 HETATM 80 C UNK 0 3.158 -3.249 -0.533 0.00 0.00 C+0 HETATM 81 O UNK 0 2.666 -2.071 -0.163 0.00 0.00 O+0 HETATM 82 C UNK 0 3.700 -3.185 -1.870 0.00 0.00 C+0 HETATM 83 C UNK 0 4.427 -4.384 -2.391 0.00 0.00 C+0 HETATM 84 C UNK 0 5.622 -4.859 -1.749 0.00 0.00 C+0 HETATM 85 C UNK 0 5.567 -5.833 -0.766 0.00 0.00 C+0 HETATM 86 C UNK 0 6.742 -6.301 -0.165 0.00 0.00 C+0 HETATM 87 C UNK 0 7.980 -5.802 -0.539 0.00 0.00 C+0 HETATM 88 C UNK 0 8.029 -4.819 -1.533 0.00 0.00 C+0 HETATM 89 C UNK 0 6.861 -4.372 -2.112 0.00 0.00 C+0 HETATM 90 N UNK 0 4.406 -1.970 -2.239 0.00 0.00 N+0 HETATM 91 C UNK 0 4.353 -0.637 -1.883 0.00 0.00 C+0 HETATM 92 O UNK 0 4.004 0.213 -2.841 0.00 0.00 O+0 HETATM 93 H UNK 0 6.970 0.400 -1.835 0.00 0.00 H+0 HETATM 94 H UNK 0 8.466 -0.203 -1.076 0.00 0.00 H+0 HETATM 95 H UNK 0 7.363 0.988 -0.198 0.00 0.00 H+0 HETATM 96 H UNK 0 6.443 -1.767 -1.080 0.00 0.00 H+0 HETATM 97 H UNK 0 8.157 -1.183 1.363 0.00 0.00 H+0 HETATM 98 H UNK 0 6.929 -2.546 1.306 0.00 0.00 H+0 HETATM 99 H UNK 0 8.269 -2.459 0.138 0.00 0.00 H+0 HETATM 100 H UNK 0 4.962 -1.347 0.968 0.00 0.00 H+0 HETATM 101 H UNK 0 5.689 0.240 1.161 0.00 0.00 H+0 HETATM 102 H UNK 0 5.228 1.067 -0.885 0.00 0.00 H+0 HETATM 103 H UNK 0 2.568 0.652 -0.888 0.00 0.00 H+0 HETATM 104 H UNK 0 3.820 2.410 2.623 0.00 0.00 H+0 HETATM 105 H UNK 0 4.794 3.417 -0.091 0.00 0.00 H+0 HETATM 106 H UNK 0 5.619 2.578 1.225 0.00 0.00 H+0 HETATM 107 H UNK 0 4.379 5.355 1.566 0.00 0.00 H+0 HETATM 108 H UNK 0 6.099 4.957 1.285 0.00 0.00 H+0 HETATM 109 H UNK 0 6.266 3.728 3.278 0.00 0.00 H+0 HETATM 110 H UNK 0 4.515 3.930 3.707 0.00 0.00 H+0 HETATM 111 H UNK 0 5.958 5.497 4.865 0.00 0.00 H+0 HETATM 112 H UNK 0 4.833 6.396 3.793 0.00 0.00 H+0 HETATM 113 H UNK 0 7.652 6.452 3.893 0.00 0.00 H+0 HETATM 114 H UNK 0 6.629 7.188 2.777 0.00 0.00 H+0 HETATM 115 H UNK 0 1.909 3.700 2.588 0.00 0.00 H+0 HETATM 116 H UNK 0 2.561 3.298 -0.915 0.00 0.00 H+0 HETATM 117 H UNK 0 1.871 4.644 -2.803 0.00 0.00 H+0 HETATM 118 H UNK 0 1.144 6.836 -0.836 0.00 0.00 H+0 HETATM 119 H UNK 0 2.274 7.237 -2.223 0.00 0.00 H+0 HETATM 120 H UNK 0 0.712 6.509 -2.523 0.00 0.00 H+0 HETATM 121 H UNK 0 3.896 6.068 -2.664 0.00 0.00 H+0 HETATM 122 H UNK 0 4.090 4.300 -2.196 0.00 0.00 H+0 HETATM 123 H UNK 0 4.112 5.570 -0.947 0.00 0.00 H+0 HETATM 124 H UNK 0 0.552 2.646 -1.819 0.00 0.00 H+0 HETATM 125 H UNK 0 -0.707 5.543 -0.252 0.00 0.00 H+0 HETATM 126 H UNK 0 -1.249 5.229 -2.404 0.00 0.00 H+0 HETATM 127 H UNK 0 -2.752 4.293 -2.127 0.00 0.00 H+0 HETATM 128 H UNK 0 -1.359 7.756 -2.391 0.00 0.00 H+0 HETATM 129 H UNK 0 -3.337 9.530 -2.385 0.00 0.00 H+0 HETATM 130 H UNK 0 -6.035 9.456 -1.896 0.00 0.00 H+0 HETATM 131 H UNK 0 -7.904 7.969 -1.299 0.00 0.00 H+0 HETATM 132 H UNK 0 -7.428 5.575 -0.915 0.00 0.00 H+0 HETATM 133 H UNK 0 -5.116 4.703 -1.131 0.00 0.00 H+0 HETATM 134 H UNK 0 -1.970 5.490 1.565 0.00 0.00 H+0 HETATM 135 H UNK 0 -3.230 2.151 1.848 0.00 0.00 H+0 HETATM 136 H UNK 0 -5.999 3.349 1.919 0.00 0.00 H+0 HETATM 137 H UNK 0 -5.553 1.725 2.466 0.00 0.00 H+0 HETATM 138 H UNK 0 -4.446 4.268 3.744 0.00 0.00 H+0 HETATM 139 H UNK 0 -3.993 2.533 4.175 0.00 0.00 H+0 HETATM 140 H UNK 0 -4.891 4.040 6.295 0.00 0.00 H+0 HETATM 141 H UNK 0 -6.585 3.596 6.660 0.00 0.00 H+0 HETATM 142 H UNK 0 -3.886 2.761 -0.749 0.00 0.00 H+0 HETATM 143 H UNK 0 -5.420 -0.988 -0.747 0.00 0.00 H+0 HETATM 144 H UNK 0 -4.672 -1.936 1.364 0.00 0.00 H+0 HETATM 145 H UNK 0 -4.433 -0.337 2.059 0.00 0.00 H+0 HETATM 146 H UNK 0 -7.800 -0.666 -0.053 0.00 0.00 H+0 HETATM 147 H UNK 0 -7.883 0.711 1.090 0.00 0.00 H+0 HETATM 148 H UNK 0 -2.576 -0.319 -0.082 0.00 0.00 H+0 HETATM 149 H UNK 0 -4.964 -2.935 -0.795 0.00 0.00 H+0 HETATM 150 H UNK 0 -5.259 -1.880 -2.936 0.00 0.00 H+0 HETATM 151 H UNK 0 -4.074 -2.942 -3.723 0.00 0.00 H+0 HETATM 152 H UNK 0 -4.411 -5.330 -4.007 0.00 0.00 H+0 HETATM 153 H UNK 0 -6.136 -7.139 -4.176 0.00 0.00 H+0 HETATM 154 H UNK 0 -8.402 -6.781 -3.315 0.00 0.00 H+0 HETATM 155 H UNK 0 -8.997 -4.661 -2.285 0.00 0.00 H+0 HETATM 156 H UNK 0 -7.306 -2.883 -2.114 0.00 0.00 H+0 HETATM 157 H UNK 0 -4.413 -5.085 -1.406 0.00 0.00 H+0 HETATM 158 H UNK 0 -1.410 -3.522 0.144 0.00 0.00 H+0 HETATM 159 H UNK 0 -2.793 -5.117 1.199 0.00 0.00 H+0 HETATM 160 H UNK 0 -1.292 -4.934 2.020 0.00 0.00 H+0 HETATM 161 H UNK 0 -0.675 -7.307 0.811 0.00 0.00 H+0 HETATM 162 H UNK 0 -2.158 -8.010 -0.755 0.00 0.00 H+0 HETATM 163 H UNK 0 -3.165 -8.390 0.632 0.00 0.00 H+0 HETATM 164 H UNK 0 -3.442 -6.869 -0.206 0.00 0.00 H+0 HETATM 165 H UNK 0 -1.535 -8.257 2.719 0.00 0.00 H+0 HETATM 166 H UNK 0 -1.624 -6.537 3.156 0.00 0.00 H+0 HETATM 167 H UNK 0 -3.140 -7.343 2.575 0.00 0.00 H+0 HETATM 168 H UNK 0 0.003 -4.081 -1.636 0.00 0.00 H+0 HETATM 169 H UNK 0 2.678 -6.274 0.670 0.00 0.00 H+0 HETATM 170 H UNK 0 0.950 -4.121 1.875 0.00 0.00 H+0 HETATM 171 H UNK 0 0.916 -5.950 2.223 0.00 0.00 H+0 HETATM 172 H UNK 0 2.502 -4.265 3.587 0.00 0.00 H+0 HETATM 173 H UNK 0 3.095 -5.871 3.145 0.00 0.00 H+0 HETATM 174 H UNK 0 3.948 -3.296 2.174 0.00 0.00 H+0 HETATM 175 H UNK 0 4.593 -4.967 1.741 0.00 0.00 H+0 HETATM 176 H UNK 0 2.721 -3.223 -2.524 0.00 0.00 H+0 HETATM 177 H UNK 0 4.739 -4.075 -3.452 0.00 0.00 H+0 HETATM 178 H UNK 0 3.701 -5.224 -2.632 0.00 0.00 H+0 HETATM 179 H UNK 0 4.672 -6.294 -0.416 0.00 0.00 H+0 HETATM 180 H UNK 0 6.698 -7.052 0.593 0.00 0.00 H+0 HETATM 181 H UNK 0 8.875 -6.180 -0.060 0.00 0.00 H+0 HETATM 182 H UNK 0 8.977 -4.438 -1.825 0.00 0.00 H+0 HETATM 183 H UNK 0 6.914 -3.629 -2.874 0.00 0.00 H+0 HETATM 184 H UNK 0 5.150 -2.148 -3.012 0.00 0.00 H+0 CONECT 1 2 93 94 95 CONECT 2 1 3 4 96 CONECT 3 2 97 98 99 CONECT 4 2 5 100 101 CONECT 5 4 6 91 102 CONECT 6 5 7 103 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 15 104 CONECT 10 9 11 105 106 CONECT 11 10 12 107 108 CONECT 12 11 13 109 110 CONECT 13 12 14 111 112 CONECT 14 13 113 114 CONECT 15 9 16 115 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 22 116 CONECT 19 18 20 21 117 CONECT 20 19 118 119 120 CONECT 21 19 121 122 123 CONECT 22 18 23 124 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 36 125 CONECT 26 25 27 126 127 CONECT 27 26 28 35 CONECT 28 27 29 128 CONECT 29 28 30 129 CONECT 30 29 31 35 CONECT 31 30 32 130 CONECT 32 31 33 131 CONECT 33 32 34 132 CONECT 34 33 35 133 CONECT 35 34 27 30 CONECT 36 25 37 134 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 45 135 CONECT 40 39 41 136 137 CONECT 41 40 42 138 139 CONECT 42 41 43 44 CONECT 43 42 140 141 CONECT 44 42 CONECT 45 39 46 142 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 53 143 CONECT 49 48 50 144 145 CONECT 50 49 51 52 CONECT 51 50 146 147 CONECT 52 50 CONECT 53 48 54 148 CONECT 54 53 55 56 CONECT 55 54 CONECT 56 54 57 64 149 CONECT 57 56 58 150 151 CONECT 58 57 59 63 CONECT 59 58 60 152 CONECT 60 59 61 153 CONECT 61 60 62 154 CONECT 62 61 63 155 CONECT 63 62 58 156 CONECT 64 56 65 157 CONECT 65 64 66 67 CONECT 66 65 CONECT 67 65 68 72 158 CONECT 68 67 69 159 160 CONECT 69 68 70 71 161 CONECT 70 69 162 163 164 CONECT 71 69 165 166 167 CONECT 72 67 73 168 CONECT 73 72 74 75 CONECT 74 73 CONECT 75 73 76 79 169 CONECT 76 75 77 170 171 CONECT 77 76 78 172 173 CONECT 78 77 79 174 175 CONECT 79 78 80 75 CONECT 80 79 81 82 CONECT 81 80 CONECT 82 80 83 90 176 CONECT 83 82 84 177 178 CONECT 84 83 85 89 CONECT 85 84 86 179 CONECT 86 85 87 180 CONECT 87 86 88 181 CONECT 88 87 89 182 CONECT 89 88 84 183 CONECT 90 82 91 184 CONECT 91 90 92 5 CONECT 92 91 CONECT 93 1 CONECT 94 1 CONECT 95 1 CONECT 96 2 CONECT 97 3 CONECT 98 3 CONECT 99 3 CONECT 100 4 CONECT 101 4 CONECT 102 5 CONECT 103 6 CONECT 104 9 CONECT 105 10 CONECT 106 10 CONECT 107 11 CONECT 108 11 CONECT 109 12 CONECT 110 12 CONECT 111 13 CONECT 112 13 CONECT 113 14 CONECT 114 14 CONECT 115 15 CONECT 116 18 CONECT 117 19 CONECT 118 20 CONECT 119 20 CONECT 120 20 CONECT 121 21 CONECT 122 21 CONECT 123 21 CONECT 124 22 CONECT 125 25 CONECT 126 26 CONECT 127 26 CONECT 128 28 CONECT 129 29 CONECT 130 31 CONECT 131 32 CONECT 132 33 CONECT 133 34 CONECT 134 36 CONECT 135 39 CONECT 136 40 CONECT 137 40 CONECT 138 41 CONECT 139 41 CONECT 140 43 CONECT 141 43 CONECT 142 45 CONECT 143 48 CONECT 144 49 CONECT 145 49 CONECT 146 51 CONECT 147 51 CONECT 148 53 CONECT 149 56 CONECT 150 57 CONECT 151 57 CONECT 152 59 CONECT 153 60 CONECT 154 61 CONECT 155 62 CONECT 156 63 CONECT 157 64 CONECT 158 67 CONECT 159 68 CONECT 160 68 CONECT 161 69 CONECT 162 70 CONECT 163 70 CONECT 164 70 CONECT 165 71 CONECT 166 71 CONECT 167 71 CONECT 168 72 CONECT 169 75 CONECT 170 76 CONECT 171 76 CONECT 172 77 CONECT 173 77 CONECT 174 78 CONECT 175 78 CONECT 176 82 CONECT 177 83 CONECT 178 83 CONECT 179 85 CONECT 180 86 CONECT 181 87 CONECT 182 88 CONECT 183 89 CONECT 184 90 MASTER 0 0 0 0 0 0 0 0 184 0 378 0 END SMILES for NP0018486 (Streptocidin Q)[H]N([H])C(=O)C([H])([H])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@@]2([H])N(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])C1=O)C([H])([H])C1=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C13)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C(=O)N([H])[H] INCHI for NP0018486 (Streptocidin Q)InChI=1S/C66H92N14O12/c1-37(2)30-47-60(86)78-52(33-41-20-11-8-12-21-41)66(92)80-29-17-25-53(80)64(90)77-48(31-38(3)4)59(85)74-49(32-40-18-9-7-10-19-40)61(87)76-51(35-55(69)82)62(88)71-46(26-27-54(68)81)58(84)75-50(34-42-36-70-44-23-14-13-22-43(42)44)63(89)79-56(39(5)6)65(91)72-45(57(83)73-47)24-15-16-28-67/h7-14,18-23,36-39,45-53,56,70H,15-17,24-35,67H2,1-6H3,(H2,68,81)(H2,69,82)(H,71,88)(H,72,91)(H,73,83)(H,74,85)(H,75,84)(H,76,87)(H,77,90)(H,78,86)(H,79,89)/t45-,46-,47+,48-,49-,50-,51+,52+,53+,56+/m1/s1 3D Structure for NP0018486 (Streptocidin Q) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C66H92N14O12 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1273.5480 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1272.70191 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 3-[(3R,6R,9S,12R,15R,18S,21R,24S,27S,32aS)-21-(4-aminobutyl)-6,27-dibenzyl-9-(carbamoylmethyl)-15-[(1H-indol-3-yl)methyl]-3,24-bis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-18-(propan-2-yl)-dotriacontahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28-decaazacyclotriacontan-12-yl]propanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | 3-[(3R,6R,9S,12R,15R,18S,21R,24S,27S,32aS)-21-(4-aminobutyl)-6,27-dibenzyl-9-(carbamoylmethyl)-15-(1H-indol-3-ylmethyl)-18-isopropyl-3,24-bis(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-docosahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28-decaazacyclotriacontan-12-yl]propanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(C)CC1NC(=O)C2CCCN2C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CC2=CC=CC=C2)NC1=O)C(C)C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C66H92N14O12/c1-37(2)30-47-60(86)78-52(33-41-20-11-8-12-21-41)66(92)80-29-17-25-53(80)64(90)77-48(31-38(3)4)59(85)74-49(32-40-18-9-7-10-19-40)61(87)76-51(35-55(69)82)62(88)71-46(26-27-54(68)81)58(84)75-50(34-42-36-70-44-23-14-13-22-43(42)44)63(89)79-56(39(5)6)65(91)72-45(57(83)73-47)24-15-16-28-67/h7-14,18-23,36-39,45-53,56,70H,15-17,24-35,67H2,1-6H3,(H2,68,81)(H2,69,82)(H,71,88)(H,72,91)(H,73,83)(H,74,85)(H,75,84)(H,76,87)(H,77,90)(H,78,86)(H,79,89) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | AVPHRVINWIRIKA-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA028519 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 146684624 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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