Showing NP-Card for Cervimycin C (NP0005472)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 02:42:11 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:52:06 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0005472 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Cervimycin C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Cervimycin C is found in Streptomyces and Streptomyces tendae. Cervimycin C was first documented in 2004 (PMID: 15326518). Based on a literature review very few articles have been published on Cervimycin C. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0005472 (Cervimycin C)
Mrv1652307012118023D
168177 0 0 0 0 999 V2000
-7.8105 2.9691 8.2933 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9090 2.2295 7.4655 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9994 2.2993 6.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4748 3.3688 5.4692 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5847 3.4777 4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0478 4.5272 3.4907 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1689 2.3915 3.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6695 1.2683 3.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2653 0.2173 2.9523 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3434 0.2609 1.5919 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8358 1.3666 0.9519 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2540 2.4482 1.7551 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7376 3.5324 1.1035 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9455 1.4557 -0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1633 2.5507 -1.0331 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7774 0.1590 -1.2537 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.9111 -0.5940 -1.2187 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0355 -0.0396 -1.8007 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.6632 -1.0251 -2.7309 C 0 0 1 0 0 0 0 0 0 0 0 0
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-11.8426 -0.8198 -1.6184 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.5987 -0.5969 -2.7580 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.9095 -0.9537 -2.5561 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.8026 0.2811 -2.6295 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.1183 -0.1296 -2.0035 C 0 0 2 0 0 0 0 0 0 0 0 0
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-14.4249 -1.8500 -3.4738 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.1916 0.4895 -1.2169 C 0 0 1 0 0 0 0 0 0 0 0 0
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-9.9050 0.2519 -0.7147 O 0 0 0 0 0 0 0 0 0 0 0 0
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-7.1626 0.1761 -3.7790 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2497 1.1560 -2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7705 1.5428 -4.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5442 1.2107 -5.2786 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6905 2.1645 -4.3226 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4810 1.4561 -1.6505 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8987 2.5402 -1.5342 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4155 0.4395 -0.5849 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1963 -0.2196 -0.7817 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3637 -0.2369 0.3126 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7731 -1.5742 0.6017 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4269 -1.7573 -0.0839 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5219 -0.7010 0.3687 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5734 -1.1755 1.1150 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8194 -0.7593 0.6489 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6390 -0.1020 1.6857 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6506 -1.1006 2.2207 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6255 -1.4251 1.0838 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5143 -0.3624 1.0746 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8350 -0.7598 1.2093 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6820 -0.0407 0.2174 C 0 0 1 0 0 0 0 0 0 0 0 0
9.3678 1.1107 0.9851 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3462 0.4093 1.9435 C 0 0 2 0 0 0 0 0 0 0 0 0
11.3079 -0.1483 1.1386 O 0 0 0 0 0 0 0 0 0 0 0 0
12.6016 0.2484 1.5064 C 0 0 1 0 0 0 0 0 0 0 0 0
13.5135 -0.8929 1.6941 C 0 0 1 0 0 0 0 0 0 0 0 0
14.2166 -1.3723 0.4391 C 0 0 2 0 0 0 0 0 0 0 0 0
14.6658 -0.2202 -0.3754 C 0 0 2 0 0 0 0 0 0 0 0 0
16.0544 -0.2872 -0.5979 O 0 0 0 0 0 0 0 0 0 0 0 0
16.6133 -0.1834 -1.8678 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7961 -0.0195 -2.8126 O 0 0 0 0 0 0 0 0 0 0 0 0
18.0553 -0.2536 -2.1476 C 0 0 1 0 0 0 0 0 0 0 0 0
18.3497 0.1368 -3.5964 C 0 0 0 0 0 0 0 0 0 0 0 0
18.8077 0.6836 -1.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
18.5385 -1.6547 -1.9433 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0686 -2.2918 -2.8722 O 0 0 0 0 0 0 0 0 0 0 0 0
18.3678 -2.2028 -0.6795 O 0 0 0 0 0 0 0 0 0 0 0 0
14.4059 1.1160 0.3497 C 0 0 2 0 0 0 0 0 0 0 0 0
15.3089 1.3308 1.5164 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0528 1.2438 0.6289 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5624 -0.6608 2.6546 C 0 0 2 0 0 0 0 0 0 0 0 0
9.9299 -2.0610 2.3224 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1918 -0.4043 2.5372 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8706 -1.4481 -0.2274 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0421 -0.2300 -1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.2831 0.3973 1.0609 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5212 1.6630 1.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3122 0.7165 0.1573 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5893 -0.5197 -0.6368 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.8801 -0.9172 0.8080 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.5717 1.1907 5.2243 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1118 0.1507 5.7567 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8600 2.6917 8.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5564 2.8210 9.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7077 4.0596 8.1190 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7957 4.2022 6.0933 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8743 -0.6548 3.5014 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0911 4.4039 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8430 0.9166 -2.3396 H 0 0 0 0 0 0 0 0 0 0 0 0
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-10.2264 -2.1684 -1.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
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-14.2760 1.0741 -2.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9454 0.5850 -3.6813 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9585 0.3224 -2.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0767 0.2527 -0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0
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-15.9382 -1.3972 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.2957 -3.3826 -2.5211 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.3720 -2.0492 -4.0997 H 0 0 0 0 0 0 0 0 0 0 0 0
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-16.0205 -2.6517 -5.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0816 1.1940 -2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1577 2.2190 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5256 1.0451 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0107 0.6101 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0734 -0.7229 -4.2481 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2981 0.3849 -5.8437 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3532 1.7910 -5.5399 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4642 0.9314 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9063 0.1572 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6696 -1.7157 1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4673 -2.3422 0.2049 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0427 -2.7801 0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6257 -1.6771 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9874 -0.2130 -0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5703 -0.0130 -0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0609 0.3730 2.5093 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2292 0.7249 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1442 -0.6514 3.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0904 -1.9929 2.5457 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0638 -2.4056 1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9816 -1.8357 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4513 -0.6591 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1296 0.4745 -0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5666 1.6255 1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8839 1.7403 0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7597 1.1135 2.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4834 0.8112 2.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2336 -0.7713 2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9032 -1.7855 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5409 -2.0907 -0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0635 -2.0318 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1872 -0.1331 -1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0
19.4375 0.1872 -3.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9675 1.1625 -3.7663 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9521 -0.6106 -4.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2080 1.5717 -0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0
19.7377 1.0650 -1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1644 0.1791 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0
19.0893 -2.6043 -0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6361 1.8895 -0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0548 0.5047 1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7380 1.5630 2.4435 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9708 2.2375 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7545 -0.5533 3.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0542 -2.7104 2.6293 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8128 -2.3905 2.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1951 -2.2771 1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2754 -2.3068 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5083 -0.4500 -2.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1064 0.2974 -1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7789 0.4341 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7337 0.0326 1.9744 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1567 1.7981 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0699 1.6666 2.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1928 2.5243 1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3799 -1.4382 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6299 -1.7328 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9250 -1.2525 1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
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3 4 2 0 0 0 0
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11 14 1 0 0 0 0
14 15 2 0 0 0 0
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16 17 1 6 0 0 0
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31 33 1 0 0 0 0
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62 72 1 0 0 0 0
72 73 1 0 0 0 0
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57 75 1 0 0 0 0
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47 81 1 0 0 0 0
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42 84 1 0 0 0 0
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8 86 1 0 0 0 0
86 87 2 0 0 0 0
86 3 1 0 0 0 0
12 7 1 0 0 0 0
84 16 1 0 0 0 0
85 10 1 0 0 0 0
33 18 1 0 0 0 0
83 44 1 0 0 0 0
30 23 1 0 0 0 0
80 49 1 0 0 0 0
77 54 1 0 0 0 0
74 59 1 0 0 0 0
1 88 1 0 0 0 0
1 89 1 0 0 0 0
1 90 1 0 0 0 0
4 91 1 0 0 0 0
9 92 1 0 0 0 0
13 93 1 0 0 0 0
18 94 1 6 0 0 0
19 95 1 0 0 0 0
19 96 1 0 0 0 0
20 97 1 0 0 0 0
20 98 1 0 0 0 0
21 99 1 1 0 0 0
23100 1 1 0 0 0
24101 1 0 0 0 0
24102 1 0 0 0 0
25103 1 0 0 0 0
25104 1 0 0 0 0
26105 1 6 0 0 0
27106 1 0 0 0 0
28107 1 1 0 0 0
29108 1 0 0 0 0
29109 1 0 0 0 0
29110 1 0 0 0 0
31111 1 6 0 0 0
32112 1 0 0 0 0
32113 1 0 0 0 0
32114 1 0 0 0 0
35115 1 0 0 0 0
38116 1 0 0 0 0
38117 1 0 0 0 0
42118 1 1 0 0 0
44119 1 1 0 0 0
45120 1 0 0 0 0
45121 1 0 0 0 0
46122 1 0 0 0 0
46123 1 0 0 0 0
47124 1 6 0 0 0
49125 1 6 0 0 0
50126 1 0 0 0 0
50127 1 0 0 0 0
51128 1 0 0 0 0
51129 1 0 0 0 0
52130 1 1 0 0 0
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55132 1 0 0 0 0
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56134 1 0 0 0 0
56135 1 0 0 0 0
57136 1 1 0 0 0
59137 1 1 0 0 0
60138 1 0 0 0 0
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68147 1 0 0 0 0
68148 1 0 0 0 0
71149 1 0 0 0 0
72150 1 6 0 0 0
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76157 1 0 0 0 0
78158 1 6 0 0 0
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84166 1 6 0 0 0
85167 1 0 0 0 0
85168 1 0 0 0 0
M END
3D MOL for NP0005472 (Cervimycin C)
RDKit 3D
168177 0 0 0 0 0 0 0 0999 V2000
-7.8105 2.9691 8.2933 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9090 2.2295 7.4655 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9994 2.2993 6.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4748 3.3688 5.4692 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5847 3.4777 4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0478 4.5272 3.4907 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1689 2.3915 3.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6695 1.2683 3.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2653 0.2173 2.9523 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3434 0.2609 1.5919 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8358 1.3666 0.9519 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2540 2.4482 1.7551 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7376 3.5324 1.1035 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9455 1.4557 -0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1633 2.5507 -1.0331 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7774 0.1590 -1.2537 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.9111 -0.5940 -1.2187 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0355 -0.0396 -1.8007 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.6632 -1.0251 -2.7309 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7417 -1.7940 -1.9530 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8426 -0.8198 -1.6184 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.5987 -0.5969 -2.7580 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.9095 -0.9537 -2.5561 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.8026 0.2811 -2.6295 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.1183 -0.1296 -2.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.2804 -1.6090 -1.9196 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.0193 -2.1090 -0.6229 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.5867 -2.3948 -2.9820 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.5244 -2.7382 -4.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.4249 -1.8500 -3.4738 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.1916 0.4895 -1.2169 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.0078 1.1132 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9050 0.2519 -0.7147 O 0 0 0 0 0 0 0 0 0 0 0 0
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-4.4810 1.4561 -1.6505 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8987 2.5402 -1.5342 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4155 0.4395 -0.5849 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1963 -0.2196 -0.7817 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3637 -0.2369 0.3126 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7731 -1.5742 0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4269 -1.7573 -0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5219 -0.7010 0.3687 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5734 -1.1755 1.1150 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8194 -0.7593 0.6489 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6390 -0.1020 1.6857 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6506 -1.1006 2.2207 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6255 -1.4251 1.0838 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5143 -0.3624 1.0746 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8350 -0.7598 1.2093 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6820 -0.0407 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3678 1.1107 0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3462 0.4093 1.9435 C 0 0 2 0 0 0 0 0 0 0 0 0
11.3079 -0.1483 1.1386 O 0 0 0 0 0 0 0 0 0 0 0 0
12.6016 0.2484 1.5064 C 0 0 1 0 0 0 0 0 0 0 0 0
13.5135 -0.8929 1.6941 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2166 -1.3723 0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6658 -0.2202 -0.3754 C 0 0 2 0 0 0 0 0 0 0 0 0
16.0544 -0.2872 -0.5979 O 0 0 0 0 0 0 0 0 0 0 0 0
16.6133 -0.1834 -1.8678 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7961 -0.0195 -2.8126 O 0 0 0 0 0 0 0 0 0 0 0 0
18.0553 -0.2536 -2.1476 C 0 0 1 0 0 0 0 0 0 0 0 0
18.3497 0.1368 -3.5964 C 0 0 0 0 0 0 0 0 0 0 0 0
18.8077 0.6836 -1.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
18.5385 -1.6547 -1.9433 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0686 -2.2918 -2.8722 O 0 0 0 0 0 0 0 0 0 0 0 0
18.3678 -2.2028 -0.6795 O 0 0 0 0 0 0 0 0 0 0 0 0
14.4059 1.1160 0.3497 C 0 0 2 0 0 0 0 0 0 0 0 0
15.3089 1.3308 1.5164 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0528 1.2438 0.6289 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5624 -0.6608 2.6546 C 0 0 2 0 0 0 0 0 0 0 0 0
9.9299 -2.0610 2.3224 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1918 -0.4043 2.5372 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8706 -1.4481 -0.2274 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0421 -0.2300 -1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5264 -1.7418 -0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2831 0.3973 1.0609 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5212 1.6630 1.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3122 0.7165 0.1573 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5893 -0.5197 -0.6368 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.8801 -0.9172 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5717 1.1907 5.2243 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1118 0.1507 5.7567 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8600 2.6917 8.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5564 2.8210 9.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7077 4.0596 8.1190 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7957 4.2022 6.0933 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8743 -0.6548 3.5014 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0911 4.4039 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0
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-10.1291 -0.4839 -3.5809 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9020 -1.7564 -3.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2264 -2.1684 -1.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0971 -2.6154 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4405 -1.2452 -0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0239 -1.3368 -1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2760 1.0741 -2.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9454 0.5850 -3.6813 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9585 0.3224 -2.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0767 0.2527 -0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.3869 -1.8198 -2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9382 -1.3972 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.2957 -3.3826 -2.5211 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.3720 -2.0492 -4.0997 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.8903 -3.7777 -4.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0205 -2.6517 -5.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0816 1.1940 -2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1577 2.2190 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5256 1.0451 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0107 0.6101 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0734 -0.7229 -4.2481 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2981 0.3849 -5.8437 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3532 1.7910 -5.5399 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4642 0.9314 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9063 0.1572 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6696 -1.7157 1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4673 -2.3422 0.2049 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0427 -2.7801 0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6257 -1.6771 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9874 -0.2130 -0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5703 -0.0130 -0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0609 0.3730 2.5093 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2292 0.7249 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1442 -0.6514 3.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0904 -1.9929 2.5457 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0638 -2.4056 1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9816 -1.8357 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4513 -0.6591 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1296 0.4745 -0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5666 1.6255 1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8839 1.7403 0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7597 1.1135 2.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4834 0.8112 2.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2336 -0.7713 2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9032 -1.7855 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5409 -2.0907 -0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0635 -2.0318 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1872 -0.1331 -1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0
19.4375 0.1872 -3.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9675 1.1625 -3.7663 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9521 -0.6106 -4.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2080 1.5717 -0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0
19.7377 1.0650 -1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1644 0.1791 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0
19.0893 -2.6043 -0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6361 1.8895 -0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0548 0.5047 1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7380 1.5630 2.4435 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9708 2.2375 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7545 -0.5533 3.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0542 -2.7104 2.6293 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8128 -2.3905 2.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1951 -2.2771 1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2754 -2.3068 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5083 -0.4500 -2.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1064 0.2974 -1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7789 0.4341 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7337 0.0326 1.9744 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1567 1.7981 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0699 1.6666 2.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1928 2.5243 1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3799 -1.4382 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6299 -1.7328 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9250 -1.2525 1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
11 14 1 0
14 15 2 0
14 16 1 0
16 17 1 6
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
26 28 1 0
28 29 1 0
28 30 1 0
21 31 1 0
31 32 1 0
31 33 1 0
16 34 1 0
34 35 1 0
34 36 2 0
36 37 1 0
37 38 1 0
37 39 2 0
36 40 1 0
40 41 2 0
40 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
56 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 2 0
66 64 1 1
66 67 1 0
66 68 1 0
66 69 1 0
69 70 2 0
69 71 1 0
62 72 1 0
72 73 1 0
72 74 1 0
57 75 1 0
75 76 1 0
75 77 1 0
52 78 1 0
78 79 1 0
78 80 1 0
47 81 1 0
81 82 1 0
81 83 1 0
42 84 1 0
84 85 1 0
8 86 1 0
86 87 2 0
86 3 1 0
12 7 1 0
84 16 1 0
85 10 1 0
33 18 1 0
83 44 1 0
30 23 1 0
80 49 1 0
77 54 1 0
74 59 1 0
1 88 1 0
1 89 1 0
1 90 1 0
4 91 1 0
9 92 1 0
13 93 1 0
18 94 1 6
19 95 1 0
19 96 1 0
20 97 1 0
20 98 1 0
21 99 1 1
23100 1 1
24101 1 0
24102 1 0
25103 1 0
25104 1 0
26105 1 6
27106 1 0
28107 1 1
29108 1 0
29109 1 0
29110 1 0
31111 1 6
32112 1 0
32113 1 0
32114 1 0
35115 1 0
38116 1 0
38117 1 0
42118 1 1
44119 1 1
45120 1 0
45121 1 0
46122 1 0
46123 1 0
47124 1 6
49125 1 6
50126 1 0
50127 1 0
51128 1 0
51129 1 0
52130 1 1
54131 1 1
55132 1 0
55133 1 0
56134 1 0
56135 1 0
57136 1 1
59137 1 1
60138 1 0
60139 1 0
61140 1 0
61141 1 0
62142 1 6
67143 1 0
67144 1 0
67145 1 0
68146 1 0
68147 1 0
68148 1 0
71149 1 0
72150 1 6
73151 1 0
73152 1 0
73153 1 0
75154 1 1
76155 1 0
76156 1 0
76157 1 0
78158 1 6
79159 1 0
79160 1 0
79161 1 0
81162 1 1
82163 1 0
82164 1 0
82165 1 0
84166 1 6
85167 1 0
85168 1 0
M END
3D SDF for NP0005472 (Cervimycin C)
Mrv1652307012118023D
168177 0 0 0 0 999 V2000
-7.8105 2.9691 8.2933 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9090 2.2295 7.4655 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9994 2.2993 6.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4748 3.3688 5.4692 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5847 3.4777 4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0478 4.5272 3.4907 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1689 2.3915 3.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6695 1.2683 3.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2653 0.2173 2.9523 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3434 0.2609 1.5919 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8358 1.3666 0.9519 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2540 2.4482 1.7551 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7376 3.5324 1.1035 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9455 1.4557 -0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1633 2.5507 -1.0331 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7774 0.1590 -1.2537 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.9111 -0.5940 -1.2187 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0355 -0.0396 -1.8007 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.6632 -1.0251 -2.7309 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.7417 -1.7940 -1.9530 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.8426 -0.8198 -1.6184 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.5987 -0.5969 -2.7580 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.9095 -0.9537 -2.5561 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.8026 0.2811 -2.6295 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.1183 -0.1296 -2.0035 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.2804 -1.6090 -1.9196 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.0193 -2.1090 -0.6229 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.5867 -2.3948 -2.9820 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.5244 -2.7382 -4.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.4249 -1.8500 -3.4738 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.1916 0.4895 -1.2169 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.0078 1.1132 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9050 0.2519 -0.7147 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4270 0.4845 -2.6814 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1626 0.1761 -3.7790 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2497 1.1560 -2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7705 1.5428 -4.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5442 1.2107 -5.2786 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6905 2.1645 -4.3226 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4810 1.4561 -1.6505 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8987 2.5402 -1.5342 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4155 0.4395 -0.5849 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1963 -0.2196 -0.7817 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3637 -0.2369 0.3126 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7731 -1.5742 0.6017 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4269 -1.7573 -0.0839 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5219 -0.7010 0.3687 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5734 -1.1755 1.1150 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8194 -0.7593 0.6489 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6390 -0.1020 1.6857 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6506 -1.1006 2.2207 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6255 -1.4251 1.0838 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5143 -0.3624 1.0746 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8350 -0.7598 1.2093 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6820 -0.0407 0.2174 C 0 0 1 0 0 0 0 0 0 0 0 0
9.3678 1.1107 0.9851 C 0 0 2 0 0 0 0 0 0 0 0 0
10.3462 0.4093 1.9435 C 0 0 2 0 0 0 0 0 0 0 0 0
11.3079 -0.1483 1.1386 O 0 0 0 0 0 0 0 0 0 0 0 0
12.6016 0.2484 1.5064 C 0 0 1 0 0 0 0 0 0 0 0 0
13.5135 -0.8929 1.6941 C 0 0 1 0 0 0 0 0 0 0 0 0
14.2166 -1.3723 0.4391 C 0 0 2 0 0 0 0 0 0 0 0 0
14.6658 -0.2202 -0.3754 C 0 0 2 0 0 0 0 0 0 0 0 0
16.0544 -0.2872 -0.5979 O 0 0 0 0 0 0 0 0 0 0 0 0
16.6133 -0.1834 -1.8678 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7961 -0.0195 -2.8126 O 0 0 0 0 0 0 0 0 0 0 0 0
18.0553 -0.2536 -2.1476 C 0 0 1 0 0 0 0 0 0 0 0 0
18.3497 0.1368 -3.5964 C 0 0 0 0 0 0 0 0 0 0 0 0
18.8077 0.6836 -1.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
18.5385 -1.6547 -1.9433 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0686 -2.2918 -2.8722 O 0 0 0 0 0 0 0 0 0 0 0 0
18.3678 -2.2028 -0.6795 O 0 0 0 0 0 0 0 0 0 0 0 0
14.4059 1.1160 0.3497 C 0 0 2 0 0 0 0 0 0 0 0 0
15.3089 1.3308 1.5164 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0528 1.2438 0.6289 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5624 -0.6608 2.6546 C 0 0 2 0 0 0 0 0 0 0 0 0
9.9299 -2.0610 2.3224 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1918 -0.4043 2.5372 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8706 -1.4481 -0.2274 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0421 -0.2300 -1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5264 -1.7418 -0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2831 0.3973 1.0609 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5212 1.6630 1.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3122 0.7165 0.1573 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5893 -0.5197 -0.6368 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.8801 -0.9172 0.8080 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.5717 1.1907 5.2243 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1118 0.1507 5.7567 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8600 2.6917 8.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5564 2.8210 9.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7077 4.0596 8.1190 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7957 4.2022 6.0933 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8743 -0.6548 3.5014 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0911 4.4039 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8430 0.9166 -2.3396 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1291 -0.4839 -3.5809 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9020 -1.7564 -3.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2264 -2.1684 -1.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0971 -2.6154 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4405 -1.2452 -0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0239 -1.3368 -1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2760 1.0741 -2.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9454 0.5850 -3.6813 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9585 0.3224 -2.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0767 0.2527 -0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.3869 -1.8198 -2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9382 -1.3972 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.2957 -3.3826 -2.5211 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.3720 -2.0492 -4.0997 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.8903 -3.7777 -4.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0205 -2.6517 -5.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0816 1.1940 -2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1577 2.2190 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5256 1.0451 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0107 0.6101 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0734 -0.7229 -4.2481 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2981 0.3849 -5.8437 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3532 1.7910 -5.5399 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4642 0.9314 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9063 0.1572 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6696 -1.7157 1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4673 -2.3422 0.2049 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0427 -2.7801 0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6257 -1.6771 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9874 -0.2130 -0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5703 -0.0130 -0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0609 0.3730 2.5093 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2292 0.7249 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1442 -0.6514 3.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0904 -1.9929 2.5457 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0638 -2.4056 1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9816 -1.8357 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4513 -0.6591 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1296 0.4745 -0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5666 1.6255 1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8839 1.7403 0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7597 1.1135 2.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4834 0.8112 2.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2336 -0.7713 2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9032 -1.7855 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5409 -2.0907 -0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0635 -2.0318 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1872 -0.1331 -1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0
19.4375 0.1872 -3.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9675 1.1625 -3.7663 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9521 -0.6106 -4.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2080 1.5717 -0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0
19.7377 1.0650 -1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1644 0.1791 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0
19.0893 -2.6043 -0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6361 1.8895 -0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0548 0.5047 1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7380 1.5630 2.4435 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9708 2.2375 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7545 -0.5533 3.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0542 -2.7104 2.6293 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8128 -2.3905 2.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1951 -2.2771 1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2754 -2.3068 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5083 -0.4500 -2.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1064 0.2974 -1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7789 0.4341 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7337 0.0326 1.9744 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1567 1.7981 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0699 1.6666 2.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1928 2.5243 1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3799 -1.4382 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6299 -1.7328 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9250 -1.2525 1.2289 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 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
11 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
16 17 1 6 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
21 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
16 34 1 0 0 0 0
34 35 1 0 0 0 0
34 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 2 0 0 0 0
36 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 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
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 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 2 0 0 0 0
66 64 1 1 0 0 0
66 67 1 0 0 0 0
66 68 1 0 0 0 0
66 69 1 0 0 0 0
69 70 2 0 0 0 0
69 71 1 0 0 0 0
62 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 1 0 0 0 0
57 75 1 0 0 0 0
75 76 1 0 0 0 0
75 77 1 0 0 0 0
52 78 1 0 0 0 0
78 79 1 0 0 0 0
78 80 1 0 0 0 0
47 81 1 0 0 0 0
81 82 1 0 0 0 0
81 83 1 0 0 0 0
42 84 1 0 0 0 0
84 85 1 0 0 0 0
8 86 1 0 0 0 0
86 87 2 0 0 0 0
86 3 1 0 0 0 0
12 7 1 0 0 0 0
84 16 1 0 0 0 0
85 10 1 0 0 0 0
33 18 1 0 0 0 0
83 44 1 0 0 0 0
30 23 1 0 0 0 0
80 49 1 0 0 0 0
77 54 1 0 0 0 0
74 59 1 0 0 0 0
1 88 1 0 0 0 0
1 89 1 0 0 0 0
1 90 1 0 0 0 0
4 91 1 0 0 0 0
9 92 1 0 0 0 0
13 93 1 0 0 0 0
18 94 1 6 0 0 0
19 95 1 0 0 0 0
19 96 1 0 0 0 0
20 97 1 0 0 0 0
20 98 1 0 0 0 0
21 99 1 1 0 0 0
23100 1 1 0 0 0
24101 1 0 0 0 0
24102 1 0 0 0 0
25103 1 0 0 0 0
25104 1 0 0 0 0
26105 1 6 0 0 0
27106 1 0 0 0 0
28107 1 1 0 0 0
29108 1 0 0 0 0
29109 1 0 0 0 0
29110 1 0 0 0 0
31111 1 6 0 0 0
32112 1 0 0 0 0
32113 1 0 0 0 0
32114 1 0 0 0 0
35115 1 0 0 0 0
38116 1 0 0 0 0
38117 1 0 0 0 0
42118 1 1 0 0 0
44119 1 1 0 0 0
45120 1 0 0 0 0
45121 1 0 0 0 0
46122 1 0 0 0 0
46123 1 0 0 0 0
47124 1 6 0 0 0
49125 1 6 0 0 0
50126 1 0 0 0 0
50127 1 0 0 0 0
51128 1 0 0 0 0
51129 1 0 0 0 0
52130 1 1 0 0 0
54131 1 1 0 0 0
55132 1 0 0 0 0
55133 1 0 0 0 0
56134 1 0 0 0 0
56135 1 0 0 0 0
57136 1 1 0 0 0
59137 1 1 0 0 0
60138 1 0 0 0 0
60139 1 0 0 0 0
61140 1 0 0 0 0
61141 1 0 0 0 0
62142 1 6 0 0 0
67143 1 0 0 0 0
67144 1 0 0 0 0
67145 1 0 0 0 0
68146 1 0 0 0 0
68147 1 0 0 0 0
68148 1 0 0 0 0
71149 1 0 0 0 0
72150 1 6 0 0 0
73151 1 0 0 0 0
73152 1 0 0 0 0
73153 1 0 0 0 0
75154 1 1 0 0 0
76155 1 0 0 0 0
76156 1 0 0 0 0
76157 1 0 0 0 0
78158 1 6 0 0 0
79159 1 0 0 0 0
79160 1 0 0 0 0
79161 1 0 0 0 0
81162 1 1 0 0 0
82163 1 0 0 0 0
82164 1 0 0 0 0
82165 1 0 0 0 0
84166 1 6 0 0 0
85167 1 0 0 0 0
85168 1 0 0 0 0
M END
> <DATABASE_ID>
NP0005472
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)C(C(=O)O[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(O[C@@]2([H])C([H])([H])C([H])([H])[C@]([H])(O[C@@]3([H])C([H])([H])C([H])([H])[C@]([H])(O[C@@]4([H])C([H])([H])C([H])([H])[C@]([H])(O[C@@]5([H])C(=O)C(C(=O)N([H])[H])=C(O[H])[C@]6(O[C@]7([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]8([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C8([H])[H])C([H])([H])C7([H])[H])C(=O)C7=C(O[H])C8=C(C([H])=C7C([H])([H])[C@]56[H])C(=O)C(OC([H])([H])[H])=C([H])C8=O)O[C@]4([H])C([H])([H])[H])O[C@@]3([H])C([H])([H])[H])O[C@@]2([H])C([H])([H])[H])O[C@@]1([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C61H81NO25/c1-25-34(63)10-16-42(75-25)81-39-15-21-47(80-29(39)5)87-61-33(23-31-22-32-49(52(66)48(31)55(61)68)35(64)24-41(74-9)51(32)65)54(53(67)50(56(61)69)57(62)70)86-46-20-13-38(28(4)79-46)84-44-18-11-36(26(2)77-44)82-43-17-12-37(27(3)76-43)83-45-19-14-40(30(6)78-45)85-59(73)60(7,8)58(71)72/h22,24-30,33-34,36-40,42-47,54,63,66,69H,10-21,23H2,1-9H3,(H2,62,70)(H,71,72)/t25-,26+,27+,28-,29-,30+,33-,34+,36+,37+,38+,39+,40+,42+,43+,44+,45+,46+,47+,54-,61-/m1/s1
> <INCHI_KEY>
CYKZTBKVWQAQLU-KSQSWLAPSA-N
> <FORMULA>
C61H81NO25
> <MOLECULAR_WEIGHT>
1228.301
> <EXACT_MASS>
1227.509767112
> <JCHEM_ACCEPTOR_COUNT>
24
> <JCHEM_ATOM_COUNT>
168
> <JCHEM_AVERAGE_POLARIZABILITY>
130.42737789324076
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
5
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
3-{[(2S,3S,6S)-6-{[(2S,3S,6S)-6-{[(2S,3S,6S)-6-{[(2R,3S,6S)-6-{[(1R,4aS,12aR)-3-carbamoyl-4,6-dihydroxy-4a-{[(2S,5S,6R)-5-{[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-9-methoxy-2,5,7,10-tetraoxo-1,2,4a,5,7,10,12,12a-octahydrotetracen-1-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2,2-dimethyl-3-oxopropanoic acid
> <ALOGPS_LOGP>
2.78
> <JCHEM_LOGP>
5.8218420753333335
> <ALOGPS_LOGS>
-5.00
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
10
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2
> <JCHEM_PKA>
3.883240046185236
> <JCHEM_PKA_STRONGEST_ACIDIC>
2.1260399469944686
> <JCHEM_PKA_STRONGEST_BASIC>
-1.4942422197499878
> <JCHEM_POLAR_SURFACE_AREA>
355.65000000000003
> <JCHEM_REFRACTIVITY>
299.8753
> <JCHEM_ROTATABLE_BOND_COUNT>
18
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.24e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
3-{[(2S,3S,6S)-6-{[(2S,3S,6S)-6-{[(2S,3S,6S)-6-{[(2R,3S,6S)-6-{[(1R,4aS,12aR)-3-carbamoyl-4,6-dihydroxy-4a-{[(2S,5S,6R)-5-{[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-9-methoxy-2,5,7,10-tetraoxo-12,12a-dihydro-1H-tetracen-1-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2,2-dimethyl-3-oxopropanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0005472 (Cervimycin C)
RDKit 3D
168177 0 0 0 0 0 0 0 0999 V2000
-7.8105 2.9691 8.2933 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9090 2.2295 7.4655 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9994 2.2993 6.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4748 3.3688 5.4692 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5847 3.4777 4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0478 4.5272 3.4907 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1689 2.3915 3.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6695 1.2683 3.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2653 0.2173 2.9523 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3434 0.2609 1.5919 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8358 1.3666 0.9519 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2540 2.4482 1.7551 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7376 3.5324 1.1035 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9455 1.4557 -0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1633 2.5507 -1.0331 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7774 0.1590 -1.2537 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.9111 -0.5940 -1.2187 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0355 -0.0396 -1.8007 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.6632 -1.0251 -2.7309 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7417 -1.7940 -1.9530 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.8426 -0.8198 -1.6184 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.5987 -0.5969 -2.7580 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.9095 -0.9537 -2.5561 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.8026 0.2811 -2.6295 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.1183 -0.1296 -2.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.2804 -1.6090 -1.9196 C 0 0 2 0 0 0 0 0 0 0 0 0
-16.0193 -2.1090 -0.6229 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.5867 -2.3948 -2.9820 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.5244 -2.7382 -4.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.4249 -1.8500 -3.4738 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.1916 0.4895 -1.2169 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.0078 1.1132 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9050 0.2519 -0.7147 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4270 0.4845 -2.6814 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1626 0.1761 -3.7790 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2497 1.1560 -2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7705 1.5428 -4.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5442 1.2107 -5.2786 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6905 2.1645 -4.3226 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4810 1.4561 -1.6505 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8987 2.5402 -1.5342 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4155 0.4395 -0.5849 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1963 -0.2196 -0.7817 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3637 -0.2369 0.3126 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7731 -1.5742 0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4269 -1.7573 -0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5219 -0.7010 0.3687 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5734 -1.1755 1.1150 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8194 -0.7593 0.6489 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6390 -0.1020 1.6857 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6506 -1.1006 2.2207 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6255 -1.4251 1.0838 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5143 -0.3624 1.0746 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8350 -0.7598 1.2093 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6820 -0.0407 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3678 1.1107 0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3462 0.4093 1.9435 C 0 0 2 0 0 0 0 0 0 0 0 0
11.3079 -0.1483 1.1386 O 0 0 0 0 0 0 0 0 0 0 0 0
12.6016 0.2484 1.5064 C 0 0 1 0 0 0 0 0 0 0 0 0
13.5135 -0.8929 1.6941 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2166 -1.3723 0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6658 -0.2202 -0.3754 C 0 0 2 0 0 0 0 0 0 0 0 0
16.0544 -0.2872 -0.5979 O 0 0 0 0 0 0 0 0 0 0 0 0
16.6133 -0.1834 -1.8678 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7961 -0.0195 -2.8126 O 0 0 0 0 0 0 0 0 0 0 0 0
18.0553 -0.2536 -2.1476 C 0 0 1 0 0 0 0 0 0 0 0 0
18.3497 0.1368 -3.5964 C 0 0 0 0 0 0 0 0 0 0 0 0
18.8077 0.6836 -1.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
18.5385 -1.6547 -1.9433 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0686 -2.2918 -2.8722 O 0 0 0 0 0 0 0 0 0 0 0 0
18.3678 -2.2028 -0.6795 O 0 0 0 0 0 0 0 0 0 0 0 0
14.4059 1.1160 0.3497 C 0 0 2 0 0 0 0 0 0 0 0 0
15.3089 1.3308 1.5164 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0528 1.2438 0.6289 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5624 -0.6608 2.6546 C 0 0 2 0 0 0 0 0 0 0 0 0
9.9299 -2.0610 2.3224 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1918 -0.4043 2.5372 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8706 -1.4481 -0.2274 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0421 -0.2300 -1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5264 -1.7418 -0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2831 0.3973 1.0609 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5212 1.6630 1.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3122 0.7165 0.1573 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5893 -0.5197 -0.6368 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.8801 -0.9172 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5717 1.1907 5.2243 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1118 0.1507 5.7567 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8600 2.6917 8.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5564 2.8210 9.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7077 4.0596 8.1190 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7957 4.2022 6.0933 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8743 -0.6548 3.5014 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0911 4.4039 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8430 0.9166 -2.3396 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1291 -0.4839 -3.5809 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9020 -1.7564 -3.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2264 -2.1684 -1.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0971 -2.6154 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4405 -1.2452 -0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0239 -1.3368 -1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2760 1.0741 -2.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9454 0.5850 -3.6813 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.9585 0.3224 -2.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0767 0.2527 -0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.3869 -1.8198 -2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9382 -1.3972 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.2957 -3.3826 -2.5211 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.3720 -2.0492 -4.0997 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.8903 -3.7777 -4.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0205 -2.6517 -5.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0816 1.1940 -2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1577 2.2190 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5256 1.0451 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.0107 0.6101 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0734 -0.7229 -4.2481 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2981 0.3849 -5.8437 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3532 1.7910 -5.5399 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4642 0.9314 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9063 0.1572 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6696 -1.7157 1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4673 -2.3422 0.2049 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0427 -2.7801 0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6257 -1.6771 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9874 -0.2130 -0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5703 -0.0130 -0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0609 0.3730 2.5093 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2292 0.7249 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1442 -0.6514 3.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0904 -1.9929 2.5457 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0638 -2.4056 1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9816 -1.8357 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4513 -0.6591 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1296 0.4745 -0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5666 1.6255 1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8839 1.7403 0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7597 1.1135 2.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4834 0.8112 2.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2336 -0.7713 2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9032 -1.7855 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5409 -2.0907 -0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0635 -2.0318 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1872 -0.1331 -1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0
19.4375 0.1872 -3.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9675 1.1625 -3.7663 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9521 -0.6106 -4.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
18.2080 1.5717 -0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0
19.7377 1.0650 -1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1644 0.1791 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0
19.0893 -2.6043 -0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6361 1.8895 -0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0548 0.5047 1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7380 1.5630 2.4435 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9708 2.2375 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7545 -0.5533 3.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0542 -2.7104 2.6293 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8128 -2.3905 2.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1951 -2.2771 1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2754 -2.3068 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5083 -0.4500 -2.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1064 0.2974 -1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7789 0.4341 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7337 0.0326 1.9744 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1567 1.7981 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0699 1.6666 2.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1928 2.5243 1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3799 -1.4382 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6299 -1.7328 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9250 -1.2525 1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
11 14 1 0
14 15 2 0
14 16 1 0
16 17 1 6
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
26 28 1 0
28 29 1 0
28 30 1 0
21 31 1 0
31 32 1 0
31 33 1 0
16 34 1 0
34 35 1 0
34 36 2 0
36 37 1 0
37 38 1 0
37 39 2 0
36 40 1 0
40 41 2 0
40 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
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53 54 1 0
54 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
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60 61 1 0
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63 64 1 0
64 65 2 0
66 64 1 1
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66 69 1 0
69 70 2 0
69 71 1 0
62 72 1 0
72 73 1 0
72 74 1 0
57 75 1 0
75 76 1 0
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52 78 1 0
78 79 1 0
78 80 1 0
47 81 1 0
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81 83 1 0
42 84 1 0
84 85 1 0
8 86 1 0
86 87 2 0
86 3 1 0
12 7 1 0
84 16 1 0
85 10 1 0
33 18 1 0
83 44 1 0
30 23 1 0
80 49 1 0
77 54 1 0
74 59 1 0
1 88 1 0
1 89 1 0
1 90 1 0
4 91 1 0
9 92 1 0
13 93 1 0
18 94 1 6
19 95 1 0
19 96 1 0
20 97 1 0
20 98 1 0
21 99 1 1
23100 1 1
24101 1 0
24102 1 0
25103 1 0
25104 1 0
26105 1 6
27106 1 0
28107 1 1
29108 1 0
29109 1 0
29110 1 0
31111 1 6
32112 1 0
32113 1 0
32114 1 0
35115 1 0
38116 1 0
38117 1 0
42118 1 1
44119 1 1
45120 1 0
45121 1 0
46122 1 0
46123 1 0
47124 1 6
49125 1 6
50126 1 0
50127 1 0
51128 1 0
51129 1 0
52130 1 1
54131 1 1
55132 1 0
55133 1 0
56134 1 0
56135 1 0
57136 1 1
59137 1 1
60138 1 0
60139 1 0
61140 1 0
61141 1 0
62142 1 6
67143 1 0
67144 1 0
67145 1 0
68146 1 0
68147 1 0
68148 1 0
71149 1 0
72150 1 6
73151 1 0
73152 1 0
73153 1 0
75154 1 1
76155 1 0
76156 1 0
76157 1 0
78158 1 6
79159 1 0
79160 1 0
79161 1 0
81162 1 1
82163 1 0
82164 1 0
82165 1 0
84166 1 6
85167 1 0
85168 1 0
M END
PDB for NP0005472 (Cervimycin C)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 -7.811 2.969 8.293 0.00 0.00 C+0 HETATM 2 O UNK 0 -6.909 2.229 7.465 0.00 0.00 O+0 HETATM 3 C UNK 0 -6.999 2.299 6.075 0.00 0.00 C+0 HETATM 4 C UNK 0 -7.475 3.369 5.469 0.00 0.00 C+0 HETATM 5 C UNK 0 -7.585 3.478 4.015 0.00 0.00 C+0 HETATM 6 O UNK 0 -8.048 4.527 3.491 0.00 0.00 O+0 HETATM 7 C UNK 0 -7.169 2.392 3.131 0.00 0.00 C+0 HETATM 8 C UNK 0 -6.670 1.268 3.764 0.00 0.00 C+0 HETATM 9 C UNK 0 -6.265 0.217 2.952 0.00 0.00 C+0 HETATM 10 C UNK 0 -6.343 0.261 1.592 0.00 0.00 C+0 HETATM 11 C UNK 0 -6.836 1.367 0.952 0.00 0.00 C+0 HETATM 12 C UNK 0 -7.254 2.448 1.755 0.00 0.00 C+0 HETATM 13 O UNK 0 -7.738 3.532 1.103 0.00 0.00 O+0 HETATM 14 C UNK 0 -6.946 1.456 -0.502 0.00 0.00 C+0 HETATM 15 O UNK 0 -7.163 2.551 -1.033 0.00 0.00 O+0 HETATM 16 C UNK 0 -6.777 0.159 -1.254 0.00 0.00 C+0 HETATM 17 O UNK 0 -7.911 -0.594 -1.219 0.00 0.00 O+0 HETATM 18 C UNK 0 -9.036 -0.040 -1.801 0.00 0.00 C+0 HETATM 19 C UNK 0 -9.663 -1.025 -2.731 0.00 0.00 C+0 HETATM 20 C UNK 0 -10.742 -1.794 -1.953 0.00 0.00 C+0 HETATM 21 C UNK 0 -11.843 -0.820 -1.618 0.00 0.00 C+0 HETATM 22 O UNK 0 -12.599 -0.597 -2.758 0.00 0.00 O+0 HETATM 23 C UNK 0 -13.909 -0.954 -2.556 0.00 0.00 C+0 HETATM 24 C UNK 0 -14.803 0.281 -2.630 0.00 0.00 C+0 HETATM 25 C UNK 0 -16.118 -0.130 -2.003 0.00 0.00 C+0 HETATM 26 C UNK 0 -16.280 -1.609 -1.920 0.00 0.00 C+0 HETATM 27 O UNK 0 -16.019 -2.109 -0.623 0.00 0.00 O+0 HETATM 28 C UNK 0 -15.587 -2.395 -2.982 0.00 0.00 C+0 HETATM 29 C UNK 0 -16.524 -2.738 -4.135 0.00 0.00 C+0 HETATM 30 O UNK 0 -14.425 -1.850 -3.474 0.00 0.00 O+0 HETATM 31 C UNK 0 -11.192 0.490 -1.217 0.00 0.00 C+0 HETATM 32 C UNK 0 -12.008 1.113 -0.117 0.00 0.00 C+0 HETATM 33 O UNK 0 -9.905 0.252 -0.715 0.00 0.00 O+0 HETATM 34 C UNK 0 -6.427 0.485 -2.681 0.00 0.00 C+0 HETATM 35 O UNK 0 -7.163 0.176 -3.779 0.00 0.00 O+0 HETATM 36 C UNK 0 -5.250 1.156 -2.850 0.00 0.00 C+0 HETATM 37 C UNK 0 -4.771 1.543 -4.146 0.00 0.00 C+0 HETATM 38 N UNK 0 -5.544 1.211 -5.279 0.00 0.00 N+0 HETATM 39 O UNK 0 -3.691 2.164 -4.323 0.00 0.00 O+0 HETATM 40 C UNK 0 -4.481 1.456 -1.651 0.00 0.00 C+0 HETATM 41 O UNK 0 -3.899 2.540 -1.534 0.00 0.00 O+0 HETATM 42 C UNK 0 -4.415 0.440 -0.585 0.00 0.00 C+0 HETATM 43 O UNK 0 -3.196 -0.220 -0.782 0.00 0.00 O+0 HETATM 44 C UNK 0 -2.364 -0.237 0.313 0.00 0.00 C+0 HETATM 45 C UNK 0 -1.773 -1.574 0.602 0.00 0.00 C+0 HETATM 46 C UNK 0 -0.427 -1.757 -0.084 0.00 0.00 C+0 HETATM 47 C UNK 0 0.522 -0.701 0.369 0.00 0.00 C+0 HETATM 48 O UNK 0 1.573 -1.176 1.115 0.00 0.00 O+0 HETATM 49 C UNK 0 2.819 -0.759 0.649 0.00 0.00 C+0 HETATM 50 C UNK 0 3.639 -0.102 1.686 0.00 0.00 C+0 HETATM 51 C UNK 0 4.651 -1.101 2.221 0.00 0.00 C+0 HETATM 52 C UNK 0 5.625 -1.425 1.084 0.00 0.00 C+0 HETATM 53 O UNK 0 6.514 -0.362 1.075 0.00 0.00 O+0 HETATM 54 C UNK 0 7.835 -0.760 1.209 0.00 0.00 C+0 HETATM 55 C UNK 0 8.682 -0.041 0.217 0.00 0.00 C+0 HETATM 56 C UNK 0 9.368 1.111 0.985 0.00 0.00 C+0 HETATM 57 C UNK 0 10.346 0.409 1.944 0.00 0.00 C+0 HETATM 58 O UNK 0 11.308 -0.148 1.139 0.00 0.00 O+0 HETATM 59 C UNK 0 12.602 0.248 1.506 0.00 0.00 C+0 HETATM 60 C UNK 0 13.514 -0.893 1.694 0.00 0.00 C+0 HETATM 61 C UNK 0 14.217 -1.372 0.439 0.00 0.00 C+0 HETATM 62 C UNK 0 14.666 -0.220 -0.375 0.00 0.00 C+0 HETATM 63 O UNK 0 16.054 -0.287 -0.598 0.00 0.00 O+0 HETATM 64 C UNK 0 16.613 -0.183 -1.868 0.00 0.00 C+0 HETATM 65 O UNK 0 15.796 -0.020 -2.813 0.00 0.00 O+0 HETATM 66 C UNK 0 18.055 -0.254 -2.148 0.00 0.00 C+0 HETATM 67 C UNK 0 18.350 0.137 -3.596 0.00 0.00 C+0 HETATM 68 C UNK 0 18.808 0.684 -1.255 0.00 0.00 C+0 HETATM 69 C UNK 0 18.538 -1.655 -1.943 0.00 0.00 C+0 HETATM 70 O UNK 0 19.069 -2.292 -2.872 0.00 0.00 O+0 HETATM 71 O UNK 0 18.368 -2.203 -0.680 0.00 0.00 O+0 HETATM 72 C UNK 0 14.406 1.116 0.350 0.00 0.00 C+0 HETATM 73 C UNK 0 15.309 1.331 1.516 0.00 0.00 C+0 HETATM 74 O UNK 0 13.053 1.244 0.629 0.00 0.00 O+0 HETATM 75 C UNK 0 9.562 -0.661 2.655 0.00 0.00 C+0 HETATM 76 C UNK 0 9.930 -2.061 2.322 0.00 0.00 C+0 HETATM 77 O UNK 0 8.192 -0.404 2.537 0.00 0.00 O+0 HETATM 78 C UNK 0 4.871 -1.448 -0.227 0.00 0.00 C+0 HETATM 79 C UNK 0 5.042 -0.230 -1.064 0.00 0.00 C+0 HETATM 80 O UNK 0 3.526 -1.742 -0.029 0.00 0.00 O+0 HETATM 81 C UNK 0 -0.283 0.397 1.061 0.00 0.00 C+0 HETATM 82 C UNK 0 0.521 1.663 1.232 0.00 0.00 C+0 HETATM 83 O UNK 0 -1.312 0.717 0.157 0.00 0.00 O+0 HETATM 84 C UNK 0 -5.589 -0.520 -0.637 0.00 0.00 C+0 HETATM 85 C UNK 0 -5.880 -0.917 0.808 0.00 0.00 C+0 HETATM 86 C UNK 0 -6.572 1.191 5.224 0.00 0.00 C+0 HETATM 87 O UNK 0 -6.112 0.151 5.757 0.00 0.00 O+0 HETATM 88 H UNK 0 -8.860 2.692 8.117 0.00 0.00 H+0 HETATM 89 H UNK 0 -7.556 2.821 9.371 0.00 0.00 H+0 HETATM 90 H UNK 0 -7.708 4.060 8.119 0.00 0.00 H+0 HETATM 91 H UNK 0 -7.796 4.202 6.093 0.00 0.00 H+0 HETATM 92 H UNK 0 -5.874 -0.655 3.501 0.00 0.00 H+0 HETATM 93 H UNK 0 -8.091 4.404 1.327 0.00 0.00 H+0 HETATM 94 H UNK 0 -8.843 0.917 -2.340 0.00 0.00 H+0 HETATM 95 H UNK 0 -10.129 -0.484 -3.581 0.00 0.00 H+0 HETATM 96 H UNK 0 -8.902 -1.756 -3.104 0.00 0.00 H+0 HETATM 97 H UNK 0 -10.226 -2.168 -1.042 0.00 0.00 H+0 HETATM 98 H UNK 0 -11.097 -2.615 -2.593 0.00 0.00 H+0 HETATM 99 H UNK 0 -12.441 -1.245 -0.789 0.00 0.00 H+0 HETATM 100 H UNK 0 -14.024 -1.337 -1.520 0.00 0.00 H+0 HETATM 101 H UNK 0 -14.276 1.074 -2.087 0.00 0.00 H+0 HETATM 102 H UNK 0 -14.945 0.585 -3.681 0.00 0.00 H+0 HETATM 103 H UNK 0 -16.959 0.322 -2.560 0.00 0.00 H+0 HETATM 104 H UNK 0 -16.077 0.253 -0.942 0.00 0.00 H+0 HETATM 105 H UNK 0 -17.387 -1.820 -2.051 0.00 0.00 H+0 HETATM 106 H UNK 0 -15.938 -1.397 0.036 0.00 0.00 H+0 HETATM 107 H UNK 0 -15.296 -3.383 -2.521 0.00 0.00 H+0 HETATM 108 H UNK 0 -17.372 -2.049 -4.100 0.00 0.00 H+0 HETATM 109 H UNK 0 -16.890 -3.778 -4.058 0.00 0.00 H+0 HETATM 110 H UNK 0 -16.020 -2.652 -5.109 0.00 0.00 H+0 HETATM 111 H UNK 0 -11.082 1.194 -2.040 0.00 0.00 H+0 HETATM 112 H UNK 0 -12.158 2.219 -0.290 0.00 0.00 H+0 HETATM 113 H UNK 0 -11.526 1.045 0.870 0.00 0.00 H+0 HETATM 114 H UNK 0 -13.011 0.610 -0.012 0.00 0.00 H+0 HETATM 115 H UNK 0 -7.073 -0.723 -4.248 0.00 0.00 H+0 HETATM 116 H UNK 0 -5.298 0.385 -5.844 0.00 0.00 H+0 HETATM 117 H UNK 0 -6.353 1.791 -5.540 0.00 0.00 H+0 HETATM 118 H UNK 0 -4.464 0.931 0.395 0.00 0.00 H+0 HETATM 119 H UNK 0 -2.906 0.157 1.185 0.00 0.00 H+0 HETATM 120 H UNK 0 -1.670 -1.716 1.688 0.00 0.00 H+0 HETATM 121 H UNK 0 -2.467 -2.342 0.205 0.00 0.00 H+0 HETATM 122 H UNK 0 -0.043 -2.780 0.078 0.00 0.00 H+0 HETATM 123 H UNK 0 -0.626 -1.677 -1.190 0.00 0.00 H+0 HETATM 124 H UNK 0 0.987 -0.213 -0.542 0.00 0.00 H+0 HETATM 125 H UNK 0 2.570 -0.013 -0.164 0.00 0.00 H+0 HETATM 126 H UNK 0 3.061 0.373 2.509 0.00 0.00 H+0 HETATM 127 H UNK 0 4.229 0.725 1.215 0.00 0.00 H+0 HETATM 128 H UNK 0 5.144 -0.651 3.087 0.00 0.00 H+0 HETATM 129 H UNK 0 4.090 -1.993 2.546 0.00 0.00 H+0 HETATM 130 H UNK 0 6.064 -2.406 1.247 0.00 0.00 H+0 HETATM 131 H UNK 0 7.982 -1.836 1.163 0.00 0.00 H+0 HETATM 132 H UNK 0 9.451 -0.659 -0.285 0.00 0.00 H+0 HETATM 133 H UNK 0 8.130 0.475 -0.595 0.00 0.00 H+0 HETATM 134 H UNK 0 8.567 1.626 1.537 0.00 0.00 H+0 HETATM 135 H UNK 0 9.884 1.740 0.255 0.00 0.00 H+0 HETATM 136 H UNK 0 10.760 1.113 2.699 0.00 0.00 H+0 HETATM 137 H UNK 0 12.483 0.811 2.476 0.00 0.00 H+0 HETATM 138 H UNK 0 14.234 -0.771 2.560 0.00 0.00 H+0 HETATM 139 H UNK 0 12.903 -1.786 2.027 0.00 0.00 H+0 HETATM 140 H UNK 0 13.541 -2.091 -0.109 0.00 0.00 H+0 HETATM 141 H UNK 0 15.063 -2.032 0.800 0.00 0.00 H+0 HETATM 142 H UNK 0 14.187 -0.133 -1.380 0.00 0.00 H+0 HETATM 143 H UNK 0 19.438 0.187 -3.713 0.00 0.00 H+0 HETATM 144 H UNK 0 17.968 1.163 -3.766 0.00 0.00 H+0 HETATM 145 H UNK 0 17.952 -0.611 -4.302 0.00 0.00 H+0 HETATM 146 H UNK 0 18.208 1.572 -0.977 0.00 0.00 H+0 HETATM 147 H UNK 0 19.738 1.065 -1.745 0.00 0.00 H+0 HETATM 148 H UNK 0 19.164 0.179 -0.324 0.00 0.00 H+0 HETATM 149 H UNK 0 19.089 -2.604 -0.121 0.00 0.00 H+0 HETATM 150 H UNK 0 14.636 1.890 -0.420 0.00 0.00 H+0 HETATM 151 H UNK 0 16.055 0.505 1.677 0.00 0.00 H+0 HETATM 152 H UNK 0 14.738 1.563 2.443 0.00 0.00 H+0 HETATM 153 H UNK 0 15.971 2.237 1.380 0.00 0.00 H+0 HETATM 154 H UNK 0 9.755 -0.553 3.773 0.00 0.00 H+0 HETATM 155 H UNK 0 9.054 -2.710 2.629 0.00 0.00 H+0 HETATM 156 H UNK 0 10.813 -2.390 2.938 0.00 0.00 H+0 HETATM 157 H UNK 0 10.195 -2.277 1.291 0.00 0.00 H+0 HETATM 158 H UNK 0 5.275 -2.307 -0.822 0.00 0.00 H+0 HETATM 159 H UNK 0 5.508 -0.450 -2.063 0.00 0.00 H+0 HETATM 160 H UNK 0 4.106 0.297 -1.305 0.00 0.00 H+0 HETATM 161 H UNK 0 5.779 0.434 -0.561 0.00 0.00 H+0 HETATM 162 H UNK 0 -0.734 0.033 1.974 0.00 0.00 H+0 HETATM 163 H UNK 0 1.157 1.798 0.335 0.00 0.00 H+0 HETATM 164 H UNK 0 1.070 1.667 2.182 0.00 0.00 H+0 HETATM 165 H UNK 0 -0.193 2.524 1.200 0.00 0.00 H+0 HETATM 166 H UNK 0 -5.380 -1.438 -1.188 0.00 0.00 H+0 HETATM 167 H UNK 0 -6.630 -1.733 0.794 0.00 0.00 H+0 HETATM 168 H UNK 0 -4.925 -1.252 1.229 0.00 0.00 H+0 CONECT 1 2 88 89 90 CONECT 2 1 3 CONECT 3 2 4 86 CONECT 4 3 5 91 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 12 CONECT 8 7 9 86 CONECT 9 8 10 92 CONECT 10 9 11 85 CONECT 11 10 12 14 CONECT 12 11 13 7 CONECT 13 12 93 CONECT 14 11 15 16 CONECT 15 14 CONECT 16 14 17 34 84 CONECT 17 16 18 CONECT 18 17 19 33 94 CONECT 19 18 20 95 96 CONECT 20 19 21 97 98 CONECT 21 20 22 31 99 CONECT 22 21 23 CONECT 23 22 24 30 100 CONECT 24 23 25 101 102 CONECT 25 24 26 103 104 CONECT 26 25 27 28 105 CONECT 27 26 106 CONECT 28 26 29 30 107 CONECT 29 28 108 109 110 CONECT 30 28 23 CONECT 31 21 32 33 111 CONECT 32 31 112 113 114 CONECT 33 31 18 CONECT 34 16 35 36 CONECT 35 34 115 CONECT 36 34 37 40 CONECT 37 36 38 39 CONECT 38 37 116 117 CONECT 39 37 CONECT 40 36 41 42 CONECT 41 40 CONECT 42 40 43 84 118 CONECT 43 42 44 CONECT 44 43 45 83 119 CONECT 45 44 46 120 121 CONECT 46 45 47 122 123 CONECT 47 46 48 81 124 CONECT 48 47 49 CONECT 49 48 50 80 125 CONECT 50 49 51 126 127 CONECT 51 50 52 128 129 CONECT 52 51 53 78 130 CONECT 53 52 54 CONECT 54 53 55 77 131 CONECT 55 54 56 132 133 CONECT 56 55 57 134 135 CONECT 57 56 58 75 136 CONECT 58 57 59 CONECT 59 58 60 74 137 CONECT 60 59 61 138 139 CONECT 61 60 62 140 141 CONECT 62 61 63 72 142 CONECT 63 62 64 CONECT 64 63 65 66 CONECT 65 64 CONECT 66 64 67 68 69 CONECT 67 66 143 144 145 CONECT 68 66 146 147 148 CONECT 69 66 70 71 CONECT 70 69 CONECT 71 69 149 CONECT 72 62 73 74 150 CONECT 73 72 151 152 153 CONECT 74 72 59 CONECT 75 57 76 77 154 CONECT 76 75 155 156 157 CONECT 77 75 54 CONECT 78 52 79 80 158 CONECT 79 78 159 160 161 CONECT 80 78 49 CONECT 81 47 82 83 162 CONECT 82 81 163 164 165 CONECT 83 81 44 CONECT 84 42 85 16 166 CONECT 85 84 10 167 168 CONECT 86 8 87 3 CONECT 87 86 CONECT 88 1 CONECT 89 1 CONECT 90 1 CONECT 91 4 CONECT 92 9 CONECT 93 13 CONECT 94 18 CONECT 95 19 CONECT 96 19 CONECT 97 20 CONECT 98 20 CONECT 99 21 CONECT 100 23 CONECT 101 24 CONECT 102 24 CONECT 103 25 CONECT 104 25 CONECT 105 26 CONECT 106 27 CONECT 107 28 CONECT 108 29 CONECT 109 29 CONECT 110 29 CONECT 111 31 CONECT 112 32 CONECT 113 32 CONECT 114 32 CONECT 115 35 CONECT 116 38 CONECT 117 38 CONECT 118 42 CONECT 119 44 CONECT 120 45 CONECT 121 45 CONECT 122 46 CONECT 123 46 CONECT 124 47 CONECT 125 49 CONECT 126 50 CONECT 127 50 CONECT 128 51 CONECT 129 51 CONECT 130 52 CONECT 131 54 CONECT 132 55 CONECT 133 55 CONECT 134 56 CONECT 135 56 CONECT 136 57 CONECT 137 59 CONECT 138 60 CONECT 139 60 CONECT 140 61 CONECT 141 61 CONECT 142 62 CONECT 143 67 CONECT 144 67 CONECT 145 67 CONECT 146 68 CONECT 147 68 CONECT 148 68 CONECT 149 71 CONECT 150 72 CONECT 151 73 CONECT 152 73 CONECT 153 73 CONECT 154 75 CONECT 155 76 CONECT 156 76 CONECT 157 76 CONECT 158 78 CONECT 159 79 CONECT 160 79 CONECT 161 79 CONECT 162 81 CONECT 163 82 CONECT 164 82 CONECT 165 82 CONECT 166 84 CONECT 167 85 CONECT 168 85 MASTER 0 0 0 0 0 0 0 0 168 0 354 0 END SMILES for NP0005472 (Cervimycin C)[H]OC(=O)C(C(=O)O[C@@]1([H])C([H])([H])C([H])([H])[C@]([H])(O[C@@]2([H])C([H])([H])C([H])([H])[C@]([H])(O[C@@]3([H])C([H])([H])C([H])([H])[C@]([H])(O[C@@]4([H])C([H])([H])C([H])([H])[C@]([H])(O[C@@]5([H])C(=O)C(C(=O)N([H])[H])=C(O[H])[C@]6(O[C@]7([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]8([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C8([H])[H])C([H])([H])C7([H])[H])C(=O)C7=C(O[H])C8=C(C([H])=C7C([H])([H])[C@]56[H])C(=O)C(OC([H])([H])[H])=C([H])C8=O)O[C@]4([H])C([H])([H])[H])O[C@@]3([H])C([H])([H])[H])O[C@@]2([H])C([H])([H])[H])O[C@@]1([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0005472 (Cervimycin C)InChI=1S/C61H81NO25/c1-25-34(63)10-16-42(75-25)81-39-15-21-47(80-29(39)5)87-61-33(23-31-22-32-49(52(66)48(31)55(61)68)35(64)24-41(74-9)51(32)65)54(53(67)50(56(61)69)57(62)70)86-46-20-13-38(28(4)79-46)84-44-18-11-36(26(2)77-44)82-43-17-12-37(27(3)76-43)83-45-19-14-40(30(6)78-45)85-59(73)60(7,8)58(71)72/h22,24-30,33-34,36-40,42-47,54,63,66,69H,10-21,23H2,1-9H3,(H2,62,70)(H,71,72)/t25-,26+,27+,28-,29-,30+,33-,34+,36+,37+,38+,39+,40+,42+,43+,44+,45+,46+,47+,54-,61-/m1/s1 3D Structure for NP0005472 (Cervimycin C) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C61H81NO25 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1228.3010 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1227.50977 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 3-{[(2S,3S,6S)-6-{[(2S,3S,6S)-6-{[(2S,3S,6S)-6-{[(2R,3S,6S)-6-{[(1R,4aS,12aR)-3-carbamoyl-4,6-dihydroxy-4a-{[(2S,5S,6R)-5-{[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-9-methoxy-2,5,7,10-tetraoxo-1,2,4a,5,7,10,12,12a-octahydrotetracen-1-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2,2-dimethyl-3-oxopropanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 3-{[(2S,3S,6S)-6-{[(2S,3S,6S)-6-{[(2S,3S,6S)-6-{[(2R,3S,6S)-6-{[(1R,4aS,12aR)-3-carbamoyl-4,6-dihydroxy-4a-{[(2S,5S,6R)-5-{[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-9-methoxy-2,5,7,10-tetraoxo-12,12a-dihydro-1H-tetracen-1-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2,2-dimethyl-3-oxopropanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | COC1=CC(=O)C2=C(O)C3=C(C[C@@H]4[C@@H](O[C@H]5CC[C@H](O[C@H]6CC[C@H](O[C@H]7CC[C@H](O[C@H]8CC[C@H](OC(=O)C(C)(C)C(O)=O)[C@H](C)O8)[C@H](C)O7)[C@H](C)O6)[C@@H](C)O5)C(=O)C(C(N)=O)=C(O)[C@]4(O[C@H]4CC[C@H](O[C@H]5CC[C@H](O)[C@@H](C)O5)[C@@H](C)O4)C3=O)C=C2C1=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C61H81NO25/c1-25-34(63)10-16-42(75-25)81-39-15-21-47(80-29(39)5)87-61-33(23-31-22-32-49(52(66)48(31)55(61)68)35(64)24-41(74-9)51(32)65)54(53(67)50(56(61)69)57(62)70)86-46-20-13-38(28(4)79-46)84-44-18-11-36(26(2)77-44)82-43-17-12-37(27(3)76-43)83-45-19-14-40(30(6)78-45)85-59(73)60(7,8)58(71)72/h22,24-30,33-34,36-40,42-47,54,63,66,69H,10-21,23H2,1-9H3,(H2,62,70)(H,71,72)/t25-,26+,27+,28-,29-,30+,33-,34+,36+,37+,38+,39+,40+,42+,43+,44+,45+,46+,47+,54-,61-/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | CYKZTBKVWQAQLU-KSQSWLAPSA-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 | NPA018279 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78438461 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 54687465 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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