Showing NP-Card for Lobophorin F (NP0010292)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 19:51:41 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:05:41 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0010292 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Lobophorin F | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Lobophorin F is found in Streptomyces sp. It was first documented in 2011 (PMID: 21897400). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0010292 (Lobophorin F)
Mrv1652307012121313D
151158 0 0 0 0 999 V2000
-7.7305 5.5647 -3.3269 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0092 4.7559 -2.1677 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9976 4.0392 -1.5623 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8423 4.1166 -2.0427 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2896 3.2404 -0.4231 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2921 2.4769 0.2466 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.5409 1.0257 0.4276 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.9211 0.6128 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1995 0.5317 1.6967 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8747 0.8555 1.9698 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.0974 0.1029 1.1337 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2504 -0.8124 1.6745 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7871 -0.5958 1.3003 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5297 0.6794 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6523 0.8565 -0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9329 1.9292 -1.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 0.0059 -0.3384 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2381 0.0869 1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2889 -0.5734 1.3374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7657 -1.4827 0.1946 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4972 -2.1237 -0.2044 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5061 -3.5512 -0.5061 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3785 -4.3141 0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7065 -4.2639 0.1582 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9965 -3.5661 0.0398 C 0 0 1 0 0 0 0 0 0 0 0 0
4.4914 -3.4161 -1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8481 -2.2946 0.8135 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9787 -1.4954 0.7635 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5754 -1.1155 1.8990 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4327 0.4141 1.9589 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7863 1.0790 1.9428 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5956 2.4427 1.9565 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1483 2.9868 0.8256 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2519 3.9515 1.2801 C 0 0 1 0 0 0 0 0 0 0 0 0
9.1474 4.1366 0.0747 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9858 3.0172 0.0045 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2780 4.1704 -1.1426 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2976 3.0071 -1.8924 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8428 4.5403 -0.8679 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6292 6.0000 -0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2429 3.7648 0.1169 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4821 0.5589 3.2048 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6941 0.9061 4.2916 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5721 -0.9399 3.0710 C 0 0 2 0 0 0 0 0 0 0 0 0
9.0632 -1.2431 2.8257 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8970 -1.4965 2.0379 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7721 -1.1339 -1.1702 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9710 -0.6632 -2.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0992 -1.9428 -2.0877 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8555 -2.5059 -3.1741 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1868 -2.3293 -2.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6263 -3.7315 -2.4292 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8879 -4.7673 -2.6475 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9985 -3.7194 -2.3958 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3979 -2.5286 -1.8960 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.4260 -2.0962 -3.0080 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2651 -3.3260 -3.2396 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.3568 -2.9025 -4.2094 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8989 -3.6558 -1.9484 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1657 -4.4948 -1.9956 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3993 -3.2549 -0.8119 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1716 -2.4421 -0.6515 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5105 -2.9373 0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5361 -2.2343 1.6477 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8655 -2.9966 2.9218 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2601 -1.4928 -1.9957 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9018 -0.4150 -1.8677 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7414 2.2996 2.0720 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.0031 3.0601 1.6132 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.1597 2.8875 2.5237 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6474 4.4602 1.5329 N 0 3 0 0 0 4 0 0 0 0 0 0
-6.2887 5.3507 2.1093 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5565 4.8131 0.7891 O 0 5 0 0 0 1 0 0 0 0 0 0
-8.2152 6.5436 -3.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6292 5.6910 -3.4391 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1734 5.0766 -4.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2687 3.2230 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3170 2.6455 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8463 0.5001 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1799 -0.3974 0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9951 0.5820 -1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7230 1.2919 0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6682 0.4311 3.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3889 -0.5579 2.7934 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2680 -0.7595 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4599 -1.4873 0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0758 1.5531 1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4752 1.6694 -2.2991 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9798 2.1990 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3937 2.8672 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2289 0.8584 -0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8320 0.7488 1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7608 -0.5054 2.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2655 -0.8571 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7622 -2.0610 0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5969 -3.8994 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1455 -5.2710 -0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5009 -3.6598 0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6630 -4.5195 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7111 -5.3252 -0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4914 -4.3821 1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7452 -4.2630 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6157 -3.5938 -2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2474 -4.1573 -1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8192 -2.3602 -1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5782 -2.5612 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0371 -1.5052 2.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8350 0.8100 1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8930 0.7311 2.8882 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3268 0.7190 1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6066 2.1996 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8047 4.8843 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7632 3.4250 2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7920 5.0303 0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9370 3.2411 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6779 4.9867 -1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2052 2.6680 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2851 4.3161 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5961 6.4652 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3307 6.5832 -1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8025 6.1751 0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4691 1.0615 3.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2491 1.1417 5.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3466 -1.4000 4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3046 -2.2857 3.0395 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6171 -0.5748 3.5227 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3447 -0.9082 1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6565 -1.4458 -2.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4016 0.2636 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4821 -0.3639 -3.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6631 -3.3531 -3.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8280 -1.8749 -3.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0053 -1.2535 -2.6229 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6625 -4.1642 -3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1902 -2.4988 -3.5923 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7510 -3.7620 -4.7504 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0132 -2.0661 -4.8566 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9244 -5.3937 -2.5803 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9971 -3.8953 -2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4327 -4.8562 -0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9182 -3.5244 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5543 -1.4094 -0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0096 -3.9235 0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5605 -4.0575 2.8532 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2363 -2.5705 3.7550 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9153 -2.8884 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6893 2.5932 3.1691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9065 2.8237 1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1409 2.0026 3.1844 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1029 2.9601 1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1501 3.7597 3.2462 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
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 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
14 15 2 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 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
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 1 0 0 0 0
31 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 1 0 0 0 0
44 45 1 0 0 0 0
44 46 1 0 0 0 0
21 47 1 0 0 0 0
47 48 1 6 0 0 0
47 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 2 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
55 54 1 6 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
59 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 2 0 0 0 0
64 65 1 0 0 0 0
55 66 1 0 0 0 0
66 67 2 0 0 0 0
10 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 1 6 0 0 0
71 72 2 0 0 0 0
71 73 1 0 0 0 0
69 6 1 0 0 0 0
64 12 1 0 0 0 0
47 17 1 0 0 0 0
66 51 1 0 0 0 0
27 20 1 0 0 0 0
46 29 1 0 0 0 0
62 55 1 0 0 0 0
41 33 1 0 0 0 0
1 74 1 0 0 0 0
1 75 1 0 0 0 0
1 76 1 0 0 0 0
5 77 1 0 0 0 0
6 78 1 6 0 0 0
7 79 1 6 0 0 0
8 80 1 0 0 0 0
8 81 1 0 0 0 0
8 82 1 0 0 0 0
10 83 1 1 0 0 0
12 84 1 1 0 0 0
13 85 1 0 0 0 0
13 86 1 0 0 0 0
14 87 1 0 0 0 0
16 88 1 0 0 0 0
16 89 1 0 0 0 0
16 90 1 0 0 0 0
17 91 1 6 0 0 0
18 92 1 0 0 0 0
19 93 1 0 0 0 0
20 94 1 6 0 0 0
21 95 1 1 0 0 0
22 96 1 6 0 0 0
23 97 1 0 0 0 0
23 98 1 0 0 0 0
23 99 1 0 0 0 0
24100 1 0 0 0 0
24101 1 0 0 0 0
25102 1 1 0 0 0
26103 1 0 0 0 0
26104 1 0 0 0 0
26105 1 0 0 0 0
27106 1 1 0 0 0
29107 1 1 0 0 0
30108 1 0 0 0 0
30109 1 0 0 0 0
31110 1 6 0 0 0
33111 1 6 0 0 0
34112 1 0 0 0 0
34113 1 0 0 0 0
35114 1 1 0 0 0
36115 1 0 0 0 0
37116 1 6 0 0 0
38117 1 0 0 0 0
39118 1 6 0 0 0
40119 1 0 0 0 0
40120 1 0 0 0 0
40121 1 0 0 0 0
42122 1 1 0 0 0
43123 1 0 0 0 0
44124 1 1 0 0 0
45125 1 0 0 0 0
45126 1 0 0 0 0
45127 1 0 0 0 0
48128 1 0 0 0 0
48129 1 0 0 0 0
48130 1 0 0 0 0
50131 1 0 0 0 0
56132 1 0 0 0 0
56133 1 0 0 0 0
57134 1 6 0 0 0
58135 1 0 0 0 0
58136 1 0 0 0 0
58137 1 0 0 0 0
60138 1 0 0 0 0
60139 1 0 0 0 0
60140 1 0 0 0 0
61141 1 0 0 0 0
62142 1 1 0 0 0
63143 1 0 0 0 0
65144 1 0 0 0 0
65145 1 0 0 0 0
65146 1 0 0 0 0
68147 1 0 0 0 0
68148 1 0 0 0 0
70149 1 0 0 0 0
70150 1 0 0 0 0
70151 1 0 0 0 0
M CHG 2 71 1 73 -1
M END
3D MOL for NP0010292 (Lobophorin F)
RDKit 3D
151158 0 0 0 0 0 0 0 0999 V2000
-7.7305 5.5647 -3.3269 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0092 4.7559 -2.1677 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9976 4.0392 -1.5623 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8423 4.1166 -2.0427 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2896 3.2404 -0.4231 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2921 2.4769 0.2466 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.5409 1.0257 0.4276 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.9211 0.6128 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1995 0.5317 1.6967 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8747 0.8555 1.9698 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.0974 0.1029 1.1337 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2504 -0.8124 1.6745 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7871 -0.5958 1.3003 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5297 0.6794 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6523 0.8565 -0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9329 1.9292 -1.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 0.0059 -0.3384 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2381 0.0869 1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2889 -0.5734 1.3374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7657 -1.4827 0.1946 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4972 -2.1237 -0.2044 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5061 -3.5512 -0.5061 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3785 -4.3141 0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7065 -4.2639 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9965 -3.5661 0.0398 C 0 0 1 0 0 0 0 0 0 0 0 0
4.4914 -3.4161 -1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8481 -2.2946 0.8135 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9787 -1.4954 0.7635 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5754 -1.1155 1.8990 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4327 0.4141 1.9589 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7863 1.0790 1.9428 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5956 2.4427 1.9565 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1483 2.9868 0.8256 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2519 3.9515 1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1474 4.1366 0.0747 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9858 3.0172 0.0045 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2780 4.1704 -1.1426 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2976 3.0071 -1.8924 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8428 4.5403 -0.8679 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6292 6.0000 -0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2429 3.7648 0.1169 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4821 0.5589 3.2048 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6941 0.9061 4.2916 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5721 -0.9399 3.0710 C 0 0 2 0 0 0 0 0 0 0 0 0
9.0632 -1.2431 2.8257 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8970 -1.4965 2.0379 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7721 -1.1339 -1.1702 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9710 -0.6632 -2.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0992 -1.9428 -2.0877 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8555 -2.5059 -3.1741 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1868 -2.3293 -2.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6263 -3.7315 -2.4292 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8879 -4.7673 -2.6475 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9985 -3.7194 -2.3958 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3979 -2.5286 -1.8960 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.4260 -2.0962 -3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2651 -3.3260 -3.2396 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.3568 -2.9025 -4.2094 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8989 -3.6558 -1.9484 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1657 -4.4948 -1.9956 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3993 -3.2549 -0.8119 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1716 -2.4421 -0.6515 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5105 -2.9373 0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5361 -2.2343 1.6477 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8655 -2.9966 2.9218 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2601 -1.4928 -1.9957 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9018 -0.4150 -1.8677 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7414 2.2996 2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0031 3.0601 1.6132 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.1597 2.8875 2.5237 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6474 4.4602 1.5329 N 0 0 0 0 0 4 0 0 0 0 0 0
-6.2887 5.3507 2.1093 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5565 4.8131 0.7891 O 0 0 0 0 0 1 0 0 0 0 0 0
-8.2152 6.5436 -3.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6292 5.6910 -3.4391 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1734 5.0766 -4.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2687 3.2230 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3170 2.6455 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8463 0.5001 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1799 -0.3974 0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9951 0.5820 -1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7230 1.2919 0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6682 0.4311 3.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3889 -0.5579 2.7934 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2680 -0.7595 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4599 -1.4873 0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0758 1.5531 1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4752 1.6694 -2.2991 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9798 2.1990 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3937 2.8672 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2289 0.8584 -0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8320 0.7488 1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7608 -0.5054 2.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2655 -0.8571 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7622 -2.0610 0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5969 -3.8994 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1455 -5.2710 -0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5009 -3.6598 0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6630 -4.5195 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7111 -5.3252 -0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4914 -4.3821 1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7452 -4.2630 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6157 -3.5938 -2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2474 -4.1573 -1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8192 -2.3602 -1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5782 -2.5612 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0371 -1.5052 2.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8350 0.8100 1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8930 0.7311 2.8882 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3268 0.7190 1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6066 2.1996 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8047 4.8843 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7632 3.4250 2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7920 5.0303 0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9370 3.2411 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6779 4.9867 -1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2052 2.6680 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2851 4.3161 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5961 6.4652 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3307 6.5832 -1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8025 6.1751 0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4691 1.0615 3.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2491 1.1417 5.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3466 -1.4000 4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3046 -2.2857 3.0395 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6171 -0.5748 3.5227 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3447 -0.9082 1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6565 -1.4458 -2.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4016 0.2636 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4821 -0.3639 -3.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6631 -3.3531 -3.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8280 -1.8749 -3.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0053 -1.2535 -2.6229 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6625 -4.1642 -3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1902 -2.4988 -3.5923 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7510 -3.7620 -4.7504 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0132 -2.0661 -4.8566 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9244 -5.3937 -2.5803 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9971 -3.8953 -2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4327 -4.8562 -0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9182 -3.5244 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5543 -1.4094 -0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0096 -3.9235 0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5605 -4.0575 2.8532 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2363 -2.5705 3.7550 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9153 -2.8884 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6893 2.5932 3.1691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9065 2.8237 1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1409 2.0026 3.1844 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1029 2.9601 1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1501 3.7597 3.2462 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
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 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
14 15 2 0
15 16 1 0
15 17 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
22 24 1 0
24 25 1 0
25 26 1 0
25 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
35 37 1 0
37 38 1 0
37 39 1 0
39 40 1 0
39 41 1 0
31 42 1 0
42 43 1 0
42 44 1 0
44 45 1 0
44 46 1 0
21 47 1 0
47 48 1 6
47 49 1 0
49 50 1 0
49 51 2 0
51 52 1 0
52 53 2 0
52 54 1 0
55 54 1 6
55 56 1 0
56 57 1 0
57 58 1 0
57 59 1 0
59 60 1 0
59 61 2 0
61 62 1 0
62 63 1 0
63 64 2 0
64 65 1 0
55 66 1 0
66 67 2 0
10 68 1 0
68 69 1 0
69 70 1 0
69 71 1 6
71 72 2 0
71 73 1 0
69 6 1 0
64 12 1 0
47 17 1 0
66 51 1 0
27 20 1 0
46 29 1 0
62 55 1 0
41 33 1 0
1 74 1 0
1 75 1 0
1 76 1 0
5 77 1 0
6 78 1 6
7 79 1 6
8 80 1 0
8 81 1 0
8 82 1 0
10 83 1 1
12 84 1 1
13 85 1 0
13 86 1 0
14 87 1 0
16 88 1 0
16 89 1 0
16 90 1 0
17 91 1 6
18 92 1 0
19 93 1 0
20 94 1 6
21 95 1 1
22 96 1 6
23 97 1 0
23 98 1 0
23 99 1 0
24100 1 0
24101 1 0
25102 1 1
26103 1 0
26104 1 0
26105 1 0
27106 1 1
29107 1 1
30108 1 0
30109 1 0
31110 1 6
33111 1 6
34112 1 0
34113 1 0
35114 1 1
36115 1 0
37116 1 6
38117 1 0
39118 1 6
40119 1 0
40120 1 0
40121 1 0
42122 1 1
43123 1 0
44124 1 1
45125 1 0
45126 1 0
45127 1 0
48128 1 0
48129 1 0
48130 1 0
50131 1 0
56132 1 0
56133 1 0
57134 1 6
58135 1 0
58136 1 0
58137 1 0
60138 1 0
60139 1 0
60140 1 0
61141 1 0
62142 1 1
63143 1 0
65144 1 0
65145 1 0
65146 1 0
68147 1 0
68148 1 0
70149 1 0
70150 1 0
70151 1 0
M CHG 2 71 1 73 -1
M END
3D SDF for NP0010292 (Lobophorin F)
Mrv1652307012121313D
151158 0 0 0 0 999 V2000
-7.7305 5.5647 -3.3269 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0092 4.7559 -2.1677 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9976 4.0392 -1.5623 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8423 4.1166 -2.0427 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2896 3.2404 -0.4231 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2921 2.4769 0.2466 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.5409 1.0257 0.4276 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.9211 0.6128 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1995 0.5317 1.6967 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8747 0.8555 1.9698 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.0974 0.1029 1.1337 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2504 -0.8124 1.6745 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7871 -0.5958 1.3003 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5297 0.6794 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6523 0.8565 -0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9329 1.9292 -1.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 0.0059 -0.3384 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2381 0.0869 1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2889 -0.5734 1.3374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7657 -1.4827 0.1946 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4972 -2.1237 -0.2044 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5061 -3.5512 -0.5061 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3785 -4.3141 0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7065 -4.2639 0.1582 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9965 -3.5661 0.0398 C 0 0 1 0 0 0 0 0 0 0 0 0
4.4914 -3.4161 -1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8481 -2.2946 0.8135 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9787 -1.4954 0.7635 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5754 -1.1155 1.8990 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4327 0.4141 1.9589 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7863 1.0790 1.9428 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5956 2.4427 1.9565 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1483 2.9868 0.8256 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2519 3.9515 1.2801 C 0 0 1 0 0 0 0 0 0 0 0 0
9.1474 4.1366 0.0747 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9858 3.0172 0.0045 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2780 4.1704 -1.1426 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2976 3.0071 -1.8924 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8428 4.5403 -0.8679 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6292 6.0000 -0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2429 3.7648 0.1169 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4821 0.5589 3.2048 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6941 0.9061 4.2916 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5721 -0.9399 3.0710 C 0 0 2 0 0 0 0 0 0 0 0 0
9.0632 -1.2431 2.8257 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8970 -1.4965 2.0379 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7721 -1.1339 -1.1702 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9710 -0.6632 -2.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0992 -1.9428 -2.0877 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8555 -2.5059 -3.1741 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1868 -2.3293 -2.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6263 -3.7315 -2.4292 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8879 -4.7673 -2.6475 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9985 -3.7194 -2.3958 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3979 -2.5286 -1.8960 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.4260 -2.0962 -3.0080 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2651 -3.3260 -3.2396 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.3568 -2.9025 -4.2094 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8989 -3.6558 -1.9484 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1657 -4.4948 -1.9956 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3993 -3.2549 -0.8119 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1716 -2.4421 -0.6515 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5105 -2.9373 0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5361 -2.2343 1.6477 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8655 -2.9966 2.9218 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2601 -1.4928 -1.9957 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9018 -0.4150 -1.8677 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7414 2.2996 2.0720 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.0031 3.0601 1.6132 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.1597 2.8875 2.5237 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6474 4.4602 1.5329 N 0 3 0 0 0 4 0 0 0 0 0 0
-6.2887 5.3507 2.1093 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5565 4.8131 0.7891 O 0 5 0 0 0 1 0 0 0 0 0 0
-8.2152 6.5436 -3.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6292 5.6910 -3.4391 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1734 5.0766 -4.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2687 3.2230 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3170 2.6455 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8463 0.5001 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1799 -0.3974 0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9951 0.5820 -1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7230 1.2919 0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6682 0.4311 3.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3889 -0.5579 2.7934 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2680 -0.7595 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4599 -1.4873 0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0758 1.5531 1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4752 1.6694 -2.2991 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9798 2.1990 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3937 2.8672 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2289 0.8584 -0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8320 0.7488 1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7608 -0.5054 2.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2655 -0.8571 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7622 -2.0610 0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5969 -3.8994 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1455 -5.2710 -0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5009 -3.6598 0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6630 -4.5195 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7111 -5.3252 -0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4914 -4.3821 1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7452 -4.2630 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6157 -3.5938 -2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2474 -4.1573 -1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8192 -2.3602 -1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5782 -2.5612 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0371 -1.5052 2.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8350 0.8100 1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8930 0.7311 2.8882 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3268 0.7190 1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6066 2.1996 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8047 4.8843 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7632 3.4250 2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7920 5.0303 0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9370 3.2411 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6779 4.9867 -1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2052 2.6680 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2851 4.3161 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5961 6.4652 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3307 6.5832 -1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8025 6.1751 0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4691 1.0615 3.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2491 1.1417 5.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3466 -1.4000 4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3046 -2.2857 3.0395 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6171 -0.5748 3.5227 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3447 -0.9082 1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6565 -1.4458 -2.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4016 0.2636 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4821 -0.3639 -3.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6631 -3.3531 -3.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8280 -1.8749 -3.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0053 -1.2535 -2.6229 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6625 -4.1642 -3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1902 -2.4988 -3.5923 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7510 -3.7620 -4.7504 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0132 -2.0661 -4.8566 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9244 -5.3937 -2.5803 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9971 -3.8953 -2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4327 -4.8562 -0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9182 -3.5244 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5543 -1.4094 -0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0096 -3.9235 0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5605 -4.0575 2.8532 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2363 -2.5705 3.7550 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9153 -2.8884 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6893 2.5932 3.1691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9065 2.8237 1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1409 2.0026 3.1844 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1029 2.9601 1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1501 3.7597 3.2462 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
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 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
14 15 2 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 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
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 1 0 0 0 0
31 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 1 0 0 0 0
44 45 1 0 0 0 0
44 46 1 0 0 0 0
21 47 1 0 0 0 0
47 48 1 6 0 0 0
47 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 2 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
55 54 1 6 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
59 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 2 0 0 0 0
64 65 1 0 0 0 0
55 66 1 0 0 0 0
66 67 2 0 0 0 0
10 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 1 6 0 0 0
71 72 2 0 0 0 0
71 73 1 0 0 0 0
69 6 1 0 0 0 0
64 12 1 0 0 0 0
47 17 1 0 0 0 0
66 51 1 0 0 0 0
27 20 1 0 0 0 0
46 29 1 0 0 0 0
62 55 1 0 0 0 0
41 33 1 0 0 0 0
1 74 1 0 0 0 0
1 75 1 0 0 0 0
1 76 1 0 0 0 0
5 77 1 0 0 0 0
6 78 1 6 0 0 0
7 79 1 6 0 0 0
8 80 1 0 0 0 0
8 81 1 0 0 0 0
8 82 1 0 0 0 0
10 83 1 1 0 0 0
12 84 1 1 0 0 0
13 85 1 0 0 0 0
13 86 1 0 0 0 0
14 87 1 0 0 0 0
16 88 1 0 0 0 0
16 89 1 0 0 0 0
16 90 1 0 0 0 0
17 91 1 6 0 0 0
18 92 1 0 0 0 0
19 93 1 0 0 0 0
20 94 1 6 0 0 0
21 95 1 1 0 0 0
22 96 1 6 0 0 0
23 97 1 0 0 0 0
23 98 1 0 0 0 0
23 99 1 0 0 0 0
24100 1 0 0 0 0
24101 1 0 0 0 0
25102 1 1 0 0 0
26103 1 0 0 0 0
26104 1 0 0 0 0
26105 1 0 0 0 0
27106 1 1 0 0 0
29107 1 1 0 0 0
30108 1 0 0 0 0
30109 1 0 0 0 0
31110 1 6 0 0 0
33111 1 6 0 0 0
34112 1 0 0 0 0
34113 1 0 0 0 0
35114 1 1 0 0 0
36115 1 0 0 0 0
37116 1 6 0 0 0
38117 1 0 0 0 0
39118 1 6 0 0 0
40119 1 0 0 0 0
40120 1 0 0 0 0
40121 1 0 0 0 0
42122 1 1 0 0 0
43123 1 0 0 0 0
44124 1 1 0 0 0
45125 1 0 0 0 0
45126 1 0 0 0 0
45127 1 0 0 0 0
48128 1 0 0 0 0
48129 1 0 0 0 0
48130 1 0 0 0 0
50131 1 0 0 0 0
56132 1 0 0 0 0
56133 1 0 0 0 0
57134 1 6 0 0 0
58135 1 0 0 0 0
58136 1 0 0 0 0
58137 1 0 0 0 0
60138 1 0 0 0 0
60139 1 0 0 0 0
60140 1 0 0 0 0
61141 1 0 0 0 0
62142 1 1 0 0 0
63143 1 0 0 0 0
65144 1 0 0 0 0
65145 1 0 0 0 0
65146 1 0 0 0 0
68147 1 0 0 0 0
68148 1 0 0 0 0
70149 1 0 0 0 0
70150 1 0 0 0 0
70151 1 0 0 0 0
M CHG 2 71 1 73 -1
M END
> <DATABASE_ID>
NP0010292
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]O\C1=C2/C(=O)O[C@@]3(C2=O)C([H])([H])[C@@]([H])(C(=C([H])[C@@]3([H])\C([H])=C(C([H])([H])[H])/[C@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(N([H])C(=O)OC([H])([H])[H])[C@@]([N+]([O-])=O)(C([H])([H])[H])C2([H])[H])C([H])([H])\C([H])=C(C([H])([H])[H])/[C@@]2([H])C([H])=C([H])[C@@]3([H])[C@]([H])(O[C@@]4([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[C@@]5([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])C5([H])[H])C4([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]3([H])[C@@]12C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C54H78N2O17/c1-24-13-16-37(70-41-23-52(10,56(64)65)47(32(9)69-41)55-51(63)66-12)26(3)19-33-18-25(2)29(6)22-54(33)49(61)42(50(62)73-54)48(60)53(11)35(24)15-14-34-43(53)27(4)17-28(5)46(34)72-40-21-38(45(59)31(8)68-40)71-39-20-36(57)44(58)30(7)67-39/h13-15,18-19,27-41,43-47,57-60H,16-17,20-23H2,1-12H3,(H,55,63)/b24-13-,26-19-,48-42-/t27-,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-,41+,43+,44+,45+,46-,47-,52-,53+,54+/m1/s1
> <INCHI_KEY>
MVMHAFZCUXRAAA-ONHUXMMOSA-N
> <FORMULA>
C54H78N2O17
> <MOLECULAR_WEIGHT>
1027.215
> <EXACT_MASS>
1026.53004906
> <JCHEM_ACCEPTOR_COUNT>
15
> <JCHEM_ATOM_COUNT>
151
> <JCHEM_AVERAGE_POLARIZABILITY>
110.19350121602548
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
5
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
{[(2S,3S,4R,6R)-6-{[(1S,3S,6S,7Z,9R,11Z,16R,17R,18R,20R,21S,22R,23Z)-17-{[(2S,4R,5S,6S)-4-{[(2R,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-23-hydroxy-3,4,8,12,18,20,22-heptamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy}-3-[(methoxycarbonyl)amino]-2,4-dimethyloxan-4-yl]nitro}-lambda1-oxidanyl
> <ALOGPS_LOGP>
3.79
> <JCHEM_LOGP>
6.512397183333337
> <ALOGPS_LOGS>
-5.25
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
8
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
12.746619082422466
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.547658602753522
> <JCHEM_PKA_STRONGEST_BASIC>
-3.252559405521149
> <JCHEM_POLAR_SURFACE_AREA>
261.13999999999993
> <JCHEM_REFRACTIVITY>
264.24220000000014
> <JCHEM_ROTATABLE_BOND_COUNT>
9
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
5.79e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
[(2S,3S,4R,6R)-6-{[(1S,3S,6S,7Z,9R,11Z,16R,17R,18R,20R,21S,22R,23Z)-17-{[(2S,4R,5S,6S)-4-{[(2R,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-23-hydroxy-3,4,8,12,18,20,22-heptamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy}-3-[(methoxycarbonyl)amino]-2,4-dimethyloxan-4-ylnitro]-lambda1-oxidanyl
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0010292 (Lobophorin F)
RDKit 3D
151158 0 0 0 0 0 0 0 0999 V2000
-7.7305 5.5647 -3.3269 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0092 4.7559 -2.1677 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9976 4.0392 -1.5623 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8423 4.1166 -2.0427 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2896 3.2404 -0.4231 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2921 2.4769 0.2466 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.5409 1.0257 0.4276 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.9211 0.6128 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1995 0.5317 1.6967 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8747 0.8555 1.9698 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.0974 0.1029 1.1337 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2504 -0.8124 1.6745 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7871 -0.5958 1.3003 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5297 0.6794 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6523 0.8565 -0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9329 1.9292 -1.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 0.0059 -0.3384 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2381 0.0869 1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2889 -0.5734 1.3374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7657 -1.4827 0.1946 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4972 -2.1237 -0.2044 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5061 -3.5512 -0.5061 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3785 -4.3141 0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7065 -4.2639 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9965 -3.5661 0.0398 C 0 0 1 0 0 0 0 0 0 0 0 0
4.4914 -3.4161 -1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8481 -2.2946 0.8135 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9787 -1.4954 0.7635 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5754 -1.1155 1.8990 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4327 0.4141 1.9589 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7863 1.0790 1.9428 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5956 2.4427 1.9565 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1483 2.9868 0.8256 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2519 3.9515 1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1474 4.1366 0.0747 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9858 3.0172 0.0045 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2780 4.1704 -1.1426 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2976 3.0071 -1.8924 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8428 4.5403 -0.8679 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6292 6.0000 -0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2429 3.7648 0.1169 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4821 0.5589 3.2048 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6941 0.9061 4.2916 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5721 -0.9399 3.0710 C 0 0 2 0 0 0 0 0 0 0 0 0
9.0632 -1.2431 2.8257 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8970 -1.4965 2.0379 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7721 -1.1339 -1.1702 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9710 -0.6632 -2.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0992 -1.9428 -2.0877 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8555 -2.5059 -3.1741 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1868 -2.3293 -2.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6263 -3.7315 -2.4292 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8879 -4.7673 -2.6475 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9985 -3.7194 -2.3958 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3979 -2.5286 -1.8960 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.4260 -2.0962 -3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2651 -3.3260 -3.2396 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.3568 -2.9025 -4.2094 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8989 -3.6558 -1.9484 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1657 -4.4948 -1.9956 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3993 -3.2549 -0.8119 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1716 -2.4421 -0.6515 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5105 -2.9373 0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5361 -2.2343 1.6477 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8655 -2.9966 2.9218 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2601 -1.4928 -1.9957 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9018 -0.4150 -1.8677 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7414 2.2996 2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0031 3.0601 1.6132 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.1597 2.8875 2.5237 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6474 4.4602 1.5329 N 0 0 0 0 0 4 0 0 0 0 0 0
-6.2887 5.3507 2.1093 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5565 4.8131 0.7891 O 0 0 0 0 0 1 0 0 0 0 0 0
-8.2152 6.5436 -3.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6292 5.6910 -3.4391 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1734 5.0766 -4.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2687 3.2230 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3170 2.6455 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8463 0.5001 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1799 -0.3974 0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9951 0.5820 -1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7230 1.2919 0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6682 0.4311 3.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3889 -0.5579 2.7934 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2680 -0.7595 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4599 -1.4873 0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0758 1.5531 1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4752 1.6694 -2.2991 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9798 2.1990 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3937 2.8672 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2289 0.8584 -0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8320 0.7488 1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7608 -0.5054 2.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2655 -0.8571 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7622 -2.0610 0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5969 -3.8994 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1455 -5.2710 -0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5009 -3.6598 0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6630 -4.5195 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7111 -5.3252 -0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4914 -4.3821 1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7452 -4.2630 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6157 -3.5938 -2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2474 -4.1573 -1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8192 -2.3602 -1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5782 -2.5612 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0371 -1.5052 2.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8350 0.8100 1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8930 0.7311 2.8882 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3268 0.7190 1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6066 2.1996 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8047 4.8843 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7632 3.4250 2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7920 5.0303 0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9370 3.2411 0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6779 4.9867 -1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2052 2.6680 -2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2851 4.3161 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5961 6.4652 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3307 6.5832 -1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8025 6.1751 0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4691 1.0615 3.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2491 1.1417 5.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3466 -1.4000 4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3046 -2.2857 3.0395 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6171 -0.5748 3.5227 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3447 -0.9082 1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6565 -1.4458 -2.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4016 0.2636 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4821 -0.3639 -3.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6631 -3.3531 -3.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8280 -1.8749 -3.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0053 -1.2535 -2.6229 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6625 -4.1642 -3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1902 -2.4988 -3.5923 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7510 -3.7620 -4.7504 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0132 -2.0661 -4.8566 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9244 -5.3937 -2.5803 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9971 -3.8953 -2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4327 -4.8562 -0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9182 -3.5244 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5543 -1.4094 -0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0096 -3.9235 0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5605 -4.0575 2.8532 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2363 -2.5705 3.7550 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9153 -2.8884 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6893 2.5932 3.1691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9065 2.8237 1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1409 2.0026 3.1844 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1029 2.9601 1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1501 3.7597 3.2462 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
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 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
14 15 2 0
15 16 1 0
15 17 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
22 24 1 0
24 25 1 0
25 26 1 0
25 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
35 37 1 0
37 38 1 0
37 39 1 0
39 40 1 0
39 41 1 0
31 42 1 0
42 43 1 0
42 44 1 0
44 45 1 0
44 46 1 0
21 47 1 0
47 48 1 6
47 49 1 0
49 50 1 0
49 51 2 0
51 52 1 0
52 53 2 0
52 54 1 0
55 54 1 6
55 56 1 0
56 57 1 0
57 58 1 0
57 59 1 0
59 60 1 0
59 61 2 0
61 62 1 0
62 63 1 0
63 64 2 0
64 65 1 0
55 66 1 0
66 67 2 0
10 68 1 0
68 69 1 0
69 70 1 0
69 71 1 6
71 72 2 0
71 73 1 0
69 6 1 0
64 12 1 0
47 17 1 0
66 51 1 0
27 20 1 0
46 29 1 0
62 55 1 0
41 33 1 0
1 74 1 0
1 75 1 0
1 76 1 0
5 77 1 0
6 78 1 6
7 79 1 6
8 80 1 0
8 81 1 0
8 82 1 0
10 83 1 1
12 84 1 1
13 85 1 0
13 86 1 0
14 87 1 0
16 88 1 0
16 89 1 0
16 90 1 0
17 91 1 6
18 92 1 0
19 93 1 0
20 94 1 6
21 95 1 1
22 96 1 6
23 97 1 0
23 98 1 0
23 99 1 0
24100 1 0
24101 1 0
25102 1 1
26103 1 0
26104 1 0
26105 1 0
27106 1 1
29107 1 1
30108 1 0
30109 1 0
31110 1 6
33111 1 6
34112 1 0
34113 1 0
35114 1 1
36115 1 0
37116 1 6
38117 1 0
39118 1 6
40119 1 0
40120 1 0
40121 1 0
42122 1 1
43123 1 0
44124 1 1
45125 1 0
45126 1 0
45127 1 0
48128 1 0
48129 1 0
48130 1 0
50131 1 0
56132 1 0
56133 1 0
57134 1 6
58135 1 0
58136 1 0
58137 1 0
60138 1 0
60139 1 0
60140 1 0
61141 1 0
62142 1 1
63143 1 0
65144 1 0
65145 1 0
65146 1 0
68147 1 0
68148 1 0
70149 1 0
70150 1 0
70151 1 0
M CHG 2 71 1 73 -1
M END
PDB for NP0010292 (Lobophorin F)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 -7.731 5.565 -3.327 0.00 0.00 C+0 HETATM 2 O UNK 0 -8.009 4.756 -2.168 0.00 0.00 O+0 HETATM 3 C UNK 0 -6.998 4.039 -1.562 0.00 0.00 C+0 HETATM 4 O UNK 0 -5.842 4.117 -2.043 0.00 0.00 O+0 HETATM 5 N UNK 0 -7.290 3.240 -0.423 0.00 0.00 N+0 HETATM 6 C UNK 0 -6.292 2.477 0.247 0.00 0.00 C+0 HETATM 7 C UNK 0 -6.541 1.026 0.428 0.00 0.00 C+0 HETATM 8 C UNK 0 -7.921 0.613 0.004 0.00 0.00 C+0 HETATM 9 O UNK 0 -6.199 0.532 1.697 0.00 0.00 O+0 HETATM 10 C UNK 0 -4.875 0.856 1.970 0.00 0.00 C+0 HETATM 11 O UNK 0 -4.097 0.103 1.134 0.00 0.00 O+0 HETATM 12 C UNK 0 -3.250 -0.812 1.675 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.787 -0.596 1.300 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.530 0.679 0.685 0.00 0.00 C+0 HETATM 15 C UNK 0 -0.652 0.857 -0.314 0.00 0.00 C+0 HETATM 16 C UNK 0 -0.933 1.929 -1.314 0.00 0.00 C+0 HETATM 17 C UNK 0 0.539 0.006 -0.338 0.00 0.00 C+0 HETATM 18 C UNK 0 1.238 0.087 1.001 0.00 0.00 C+0 HETATM 19 C UNK 0 2.289 -0.573 1.337 0.00 0.00 C+0 HETATM 20 C UNK 0 2.766 -1.483 0.195 0.00 0.00 C+0 HETATM 21 C UNK 0 1.497 -2.124 -0.204 0.00 0.00 C+0 HETATM 22 C UNK 0 1.506 -3.551 -0.506 0.00 0.00 C+0 HETATM 23 C UNK 0 0.379 -4.314 0.247 0.00 0.00 C+0 HETATM 24 C UNK 0 2.707 -4.264 0.158 0.00 0.00 C+0 HETATM 25 C UNK 0 3.997 -3.566 0.040 0.00 0.00 C+0 HETATM 26 C UNK 0 4.491 -3.416 -1.357 0.00 0.00 C+0 HETATM 27 C UNK 0 3.848 -2.295 0.814 0.00 0.00 C+0 HETATM 28 O UNK 0 4.979 -1.495 0.764 0.00 0.00 O+0 HETATM 29 C UNK 0 5.575 -1.115 1.899 0.00 0.00 C+0 HETATM 30 C UNK 0 5.433 0.414 1.959 0.00 0.00 C+0 HETATM 31 C UNK 0 6.786 1.079 1.943 0.00 0.00 C+0 HETATM 32 O UNK 0 6.596 2.443 1.956 0.00 0.00 O+0 HETATM 33 C UNK 0 7.148 2.987 0.826 0.00 0.00 C+0 HETATM 34 C UNK 0 8.252 3.951 1.280 0.00 0.00 C+0 HETATM 35 C UNK 0 9.147 4.137 0.075 0.00 0.00 C+0 HETATM 36 O UNK 0 9.986 3.017 0.005 0.00 0.00 O+0 HETATM 37 C UNK 0 8.278 4.170 -1.143 0.00 0.00 C+0 HETATM 38 O UNK 0 8.298 3.007 -1.892 0.00 0.00 O+0 HETATM 39 C UNK 0 6.843 4.540 -0.868 0.00 0.00 C+0 HETATM 40 C UNK 0 6.629 6.000 -0.602 0.00 0.00 C+0 HETATM 41 O UNK 0 6.243 3.765 0.117 0.00 0.00 O+0 HETATM 42 C UNK 0 7.482 0.559 3.205 0.00 0.00 C+0 HETATM 43 O UNK 0 6.694 0.906 4.292 0.00 0.00 O+0 HETATM 44 C UNK 0 7.572 -0.940 3.071 0.00 0.00 C+0 HETATM 45 C UNK 0 9.063 -1.243 2.826 0.00 0.00 C+0 HETATM 46 O UNK 0 6.897 -1.496 2.038 0.00 0.00 O+0 HETATM 47 C UNK 0 0.772 -1.134 -1.170 0.00 0.00 C+0 HETATM 48 C UNK 0 1.971 -0.663 -2.105 0.00 0.00 C+0 HETATM 49 C UNK 0 0.099 -1.943 -2.088 0.00 0.00 C+0 HETATM 50 O UNK 0 0.856 -2.506 -3.174 0.00 0.00 O+0 HETATM 51 C UNK 0 -1.187 -2.329 -2.170 0.00 0.00 C+0 HETATM 52 C UNK 0 -1.626 -3.732 -2.429 0.00 0.00 C+0 HETATM 53 O UNK 0 -0.888 -4.767 -2.648 0.00 0.00 O+0 HETATM 54 O UNK 0 -2.999 -3.719 -2.396 0.00 0.00 O+0 HETATM 55 C UNK 0 -3.398 -2.529 -1.896 0.00 0.00 C+0 HETATM 56 C UNK 0 -4.426 -2.096 -3.008 0.00 0.00 C+0 HETATM 57 C UNK 0 -5.265 -3.326 -3.240 0.00 0.00 C+0 HETATM 58 C UNK 0 -6.357 -2.902 -4.209 0.00 0.00 C+0 HETATM 59 C UNK 0 -5.899 -3.656 -1.948 0.00 0.00 C+0 HETATM 60 C UNK 0 -7.166 -4.495 -1.996 0.00 0.00 C+0 HETATM 61 C UNK 0 -5.399 -3.255 -0.812 0.00 0.00 C+0 HETATM 62 C UNK 0 -4.172 -2.442 -0.652 0.00 0.00 C+0 HETATM 63 C UNK 0 -3.510 -2.937 0.553 0.00 0.00 C+0 HETATM 64 C UNK 0 -3.536 -2.234 1.648 0.00 0.00 C+0 HETATM 65 C UNK 0 -3.865 -2.997 2.922 0.00 0.00 C+0 HETATM 66 C UNK 0 -2.260 -1.493 -1.996 0.00 0.00 C+0 HETATM 67 O UNK 0 -2.902 -0.415 -1.868 0.00 0.00 O+0 HETATM 68 C UNK 0 -4.741 2.300 2.072 0.00 0.00 C+0 HETATM 69 C UNK 0 -6.003 3.060 1.613 0.00 0.00 C+0 HETATM 70 C UNK 0 -7.160 2.888 2.524 0.00 0.00 C+0 HETATM 71 N UNK 0 -5.647 4.460 1.533 0.00 0.00 N+1 HETATM 72 O UNK 0 -6.289 5.351 2.109 0.00 0.00 O+0 HETATM 73 O UNK 0 -4.556 4.813 0.789 0.00 0.00 O-1 HETATM 74 H UNK 0 -8.215 6.544 -3.220 0.00 0.00 H+0 HETATM 75 H UNK 0 -6.629 5.691 -3.439 0.00 0.00 H+0 HETATM 76 H UNK 0 -8.173 5.077 -4.234 0.00 0.00 H+0 HETATM 77 H UNK 0 -8.269 3.223 -0.080 0.00 0.00 H+0 HETATM 78 H UNK 0 -5.317 2.646 -0.326 0.00 0.00 H+0 HETATM 79 H UNK 0 -5.846 0.500 -0.300 0.00 0.00 H+0 HETATM 80 H UNK 0 -8.180 -0.397 0.380 0.00 0.00 H+0 HETATM 81 H UNK 0 -7.995 0.582 -1.123 0.00 0.00 H+0 HETATM 82 H UNK 0 -8.723 1.292 0.341 0.00 0.00 H+0 HETATM 83 H UNK 0 -4.668 0.431 3.013 0.00 0.00 H+0 HETATM 84 H UNK 0 -3.389 -0.558 2.793 0.00 0.00 H+0 HETATM 85 H UNK 0 -1.268 -0.760 2.295 0.00 0.00 H+0 HETATM 86 H UNK 0 -1.460 -1.487 0.723 0.00 0.00 H+0 HETATM 87 H UNK 0 -2.076 1.553 1.052 0.00 0.00 H+0 HETATM 88 H UNK 0 -0.475 1.669 -2.299 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.980 2.199 -1.420 0.00 0.00 H+0 HETATM 90 H UNK 0 -0.394 2.867 -0.991 0.00 0.00 H+0 HETATM 91 H UNK 0 1.229 0.858 -0.777 0.00 0.00 H+0 HETATM 92 H UNK 0 0.832 0.749 1.729 0.00 0.00 H+0 HETATM 93 H UNK 0 2.761 -0.505 2.277 0.00 0.00 H+0 HETATM 94 H UNK 0 3.265 -0.857 -0.565 0.00 0.00 H+0 HETATM 95 H UNK 0 0.762 -2.061 0.694 0.00 0.00 H+0 HETATM 96 H UNK 0 1.597 -3.899 -1.526 0.00 0.00 H+0 HETATM 97 H UNK 0 0.146 -5.271 -0.194 0.00 0.00 H+0 HETATM 98 H UNK 0 -0.501 -3.660 0.221 0.00 0.00 H+0 HETATM 99 H UNK 0 0.663 -4.519 1.303 0.00 0.00 H+0 HETATM 100 H UNK 0 2.711 -5.325 -0.217 0.00 0.00 H+0 HETATM 101 H UNK 0 2.491 -4.382 1.259 0.00 0.00 H+0 HETATM 102 H UNK 0 4.745 -4.263 0.539 0.00 0.00 H+0 HETATM 103 H UNK 0 3.616 -3.594 -2.026 0.00 0.00 H+0 HETATM 104 H UNK 0 5.247 -4.157 -1.612 0.00 0.00 H+0 HETATM 105 H UNK 0 4.819 -2.360 -1.585 0.00 0.00 H+0 HETATM 106 H UNK 0 3.578 -2.561 1.865 0.00 0.00 H+0 HETATM 107 H UNK 0 5.037 -1.505 2.784 0.00 0.00 H+0 HETATM 108 H UNK 0 4.835 0.810 1.115 0.00 0.00 H+0 HETATM 109 H UNK 0 4.893 0.731 2.888 0.00 0.00 H+0 HETATM 110 H UNK 0 7.327 0.719 1.042 0.00 0.00 H+0 HETATM 111 H UNK 0 7.607 2.200 0.189 0.00 0.00 H+0 HETATM 112 H UNK 0 7.805 4.884 1.644 0.00 0.00 H+0 HETATM 113 H UNK 0 8.763 3.425 2.119 0.00 0.00 H+0 HETATM 114 H UNK 0 9.792 5.030 0.181 0.00 0.00 H+0 HETATM 115 H UNK 0 10.937 3.241 0.121 0.00 0.00 H+0 HETATM 116 H UNK 0 8.678 4.987 -1.803 0.00 0.00 H+0 HETATM 117 H UNK 0 9.205 2.668 -2.056 0.00 0.00 H+0 HETATM 118 H UNK 0 6.285 4.316 -1.822 0.00 0.00 H+0 HETATM 119 H UNK 0 7.596 6.465 -0.250 0.00 0.00 H+0 HETATM 120 H UNK 0 6.331 6.583 -1.499 0.00 0.00 H+0 HETATM 121 H UNK 0 5.803 6.175 0.143 0.00 0.00 H+0 HETATM 122 H UNK 0 8.469 1.062 3.217 0.00 0.00 H+0 HETATM 123 H UNK 0 7.249 1.142 5.063 0.00 0.00 H+0 HETATM 124 H UNK 0 7.347 -1.400 4.033 0.00 0.00 H+0 HETATM 125 H UNK 0 9.305 -2.286 3.039 0.00 0.00 H+0 HETATM 126 H UNK 0 9.617 -0.575 3.523 0.00 0.00 H+0 HETATM 127 H UNK 0 9.345 -0.908 1.798 0.00 0.00 H+0 HETATM 128 H UNK 0 2.656 -1.446 -2.314 0.00 0.00 H+0 HETATM 129 H UNK 0 2.402 0.264 -1.783 0.00 0.00 H+0 HETATM 130 H UNK 0 1.482 -0.364 -3.100 0.00 0.00 H+0 HETATM 131 H UNK 0 0.663 -3.353 -3.605 0.00 0.00 H+0 HETATM 132 H UNK 0 -3.828 -1.875 -3.905 0.00 0.00 H+0 HETATM 133 H UNK 0 -5.005 -1.254 -2.623 0.00 0.00 H+0 HETATM 134 H UNK 0 -4.662 -4.164 -3.650 0.00 0.00 H+0 HETATM 135 H UNK 0 -7.190 -2.499 -3.592 0.00 0.00 H+0 HETATM 136 H UNK 0 -6.751 -3.762 -4.750 0.00 0.00 H+0 HETATM 137 H UNK 0 -6.013 -2.066 -4.857 0.00 0.00 H+0 HETATM 138 H UNK 0 -6.924 -5.394 -2.580 0.00 0.00 H+0 HETATM 139 H UNK 0 -7.997 -3.895 -2.357 0.00 0.00 H+0 HETATM 140 H UNK 0 -7.433 -4.856 -0.974 0.00 0.00 H+0 HETATM 141 H UNK 0 -5.918 -3.524 0.143 0.00 0.00 H+0 HETATM 142 H UNK 0 -4.554 -1.409 -0.580 0.00 0.00 H+0 HETATM 143 H UNK 0 -3.010 -3.924 0.476 0.00 0.00 H+0 HETATM 144 H UNK 0 -3.561 -4.058 2.853 0.00 0.00 H+0 HETATM 145 H UNK 0 -3.236 -2.571 3.755 0.00 0.00 H+0 HETATM 146 H UNK 0 -4.915 -2.888 3.186 0.00 0.00 H+0 HETATM 147 H UNK 0 -4.689 2.593 3.169 0.00 0.00 H+0 HETATM 148 H UNK 0 -3.906 2.824 1.623 0.00 0.00 H+0 HETATM 149 H UNK 0 -7.141 2.003 3.184 0.00 0.00 H+0 HETATM 150 H UNK 0 -8.103 2.960 1.936 0.00 0.00 H+0 HETATM 151 H UNK 0 -7.150 3.760 3.246 0.00 0.00 H+0 CONECT 1 2 74 75 76 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 77 CONECT 6 5 7 69 78 CONECT 7 6 8 9 79 CONECT 8 7 80 81 82 CONECT 9 7 10 CONECT 10 9 11 68 83 CONECT 11 10 12 CONECT 12 11 13 64 84 CONECT 13 12 14 85 86 CONECT 14 13 15 87 CONECT 15 14 16 17 CONECT 16 15 88 89 90 CONECT 17 15 18 47 91 CONECT 18 17 19 92 CONECT 19 18 20 93 CONECT 20 19 21 27 94 CONECT 21 20 22 47 95 CONECT 22 21 23 24 96 CONECT 23 22 97 98 99 CONECT 24 22 25 100 101 CONECT 25 24 26 27 102 CONECT 26 25 103 104 105 CONECT 27 25 28 20 106 CONECT 28 27 29 CONECT 29 28 30 46 107 CONECT 30 29 31 108 109 CONECT 31 30 32 42 110 CONECT 32 31 33 CONECT 33 32 34 41 111 CONECT 34 33 35 112 113 CONECT 35 34 36 37 114 CONECT 36 35 115 CONECT 37 35 38 39 116 CONECT 38 37 117 CONECT 39 37 40 41 118 CONECT 40 39 119 120 121 CONECT 41 39 33 CONECT 42 31 43 44 122 CONECT 43 42 123 CONECT 44 42 45 46 124 CONECT 45 44 125 126 127 CONECT 46 44 29 CONECT 47 21 48 49 17 CONECT 48 47 128 129 130 CONECT 49 47 50 51 CONECT 50 49 131 CONECT 51 49 52 66 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 CONECT 55 54 56 66 62 CONECT 56 55 57 132 133 CONECT 57 56 58 59 134 CONECT 58 57 135 136 137 CONECT 59 57 60 61 CONECT 60 59 138 139 140 CONECT 61 59 62 141 CONECT 62 61 63 55 142 CONECT 63 62 64 143 CONECT 64 63 65 12 CONECT 65 64 144 145 146 CONECT 66 55 67 51 CONECT 67 66 CONECT 68 10 69 147 148 CONECT 69 68 70 71 6 CONECT 70 69 149 150 151 CONECT 71 69 72 73 CONECT 72 71 CONECT 73 71 CONECT 74 1 CONECT 75 1 CONECT 76 1 CONECT 77 5 CONECT 78 6 CONECT 79 7 CONECT 80 8 CONECT 81 8 CONECT 82 8 CONECT 83 10 CONECT 84 12 CONECT 85 13 CONECT 86 13 CONECT 87 14 CONECT 88 16 CONECT 89 16 CONECT 90 16 CONECT 91 17 CONECT 92 18 CONECT 93 19 CONECT 94 20 CONECT 95 21 CONECT 96 22 CONECT 97 23 CONECT 98 23 CONECT 99 23 CONECT 100 24 CONECT 101 24 CONECT 102 25 CONECT 103 26 CONECT 104 26 CONECT 105 26 CONECT 106 27 CONECT 107 29 CONECT 108 30 CONECT 109 30 CONECT 110 31 CONECT 111 33 CONECT 112 34 CONECT 113 34 CONECT 114 35 CONECT 115 36 CONECT 116 37 CONECT 117 38 CONECT 118 39 CONECT 119 40 CONECT 120 40 CONECT 121 40 CONECT 122 42 CONECT 123 43 CONECT 124 44 CONECT 125 45 CONECT 126 45 CONECT 127 45 CONECT 128 48 CONECT 129 48 CONECT 130 48 CONECT 131 50 CONECT 132 56 CONECT 133 56 CONECT 134 57 CONECT 135 58 CONECT 136 58 CONECT 137 58 CONECT 138 60 CONECT 139 60 CONECT 140 60 CONECT 141 61 CONECT 142 62 CONECT 143 63 CONECT 144 65 CONECT 145 65 CONECT 146 65 CONECT 147 68 CONECT 148 68 CONECT 149 70 CONECT 150 70 CONECT 151 70 MASTER 0 0 0 0 0 0 0 0 151 0 316 0 END SMILES for NP0010292 (Lobophorin F)[H]O\C1=C2/C(=O)O[C@@]3(C2=O)C([H])([H])[C@@]([H])(C(=C([H])[C@@]3([H])\C([H])=C(C([H])([H])[H])/[C@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(N([H])C(=O)OC([H])([H])[H])[C@@]([N+]([O-])=O)(C([H])([H])[H])C2([H])[H])C([H])([H])\C([H])=C(C([H])([H])[H])/[C@@]2([H])C([H])=C([H])[C@@]3([H])[C@]([H])(O[C@@]4([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[C@@]5([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])C5([H])[H])C4([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]3([H])[C@@]12C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0010292 (Lobophorin F)InChI=1S/C54H78N2O17/c1-24-13-16-37(70-41-23-52(10,56(64)65)47(32(9)69-41)55-51(63)66-12)26(3)19-33-18-25(2)29(6)22-54(33)49(61)42(50(62)73-54)48(60)53(11)35(24)15-14-34-43(53)27(4)17-28(5)46(34)72-40-21-38(45(59)31(8)68-40)71-39-20-36(57)44(58)30(7)67-39/h13-15,18-19,27-41,43-47,57-60H,16-17,20-23H2,1-12H3,(H,55,63)/b24-13-,26-19-,48-42-/t27-,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-,41+,43+,44+,45+,46-,47-,52-,53+,54+/m1/s1 3D Structure for NP0010292 (Lobophorin F) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C54H78N2O17 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1027.2150 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1026.53005 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | {[(2S,3S,4R,6R)-6-{[(1S,3S,6S,7Z,9R,11Z,16R,17R,18R,20R,21S,22R,23Z)-17-{[(2S,4R,5S,6S)-4-{[(2R,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-23-hydroxy-3,4,8,12,18,20,22-heptamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy}-3-[(methoxycarbonyl)amino]-2,4-dimethyloxan-4-yl]nitro}-lambda1-oxidanyl | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | [(2S,3S,4R,6R)-6-{[(1S,3S,6S,7Z,9R,11Z,16R,17R,18R,20R,21S,22R,23Z)-17-{[(2S,4R,5S,6S)-4-{[(2R,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-23-hydroxy-3,4,8,12,18,20,22-heptamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy}-3-[(methoxycarbonyl)amino]-2,4-dimethyloxan-4-ylnitro]-lambda1-oxidanyl | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | COC(=O)N[C@@H]1[C@H](C)O[C@H](C[C@@]1(C)[N+]([O-])=O)OC1C\C=C(C)/[C@H]2C=C[C@H]3[C@H](O[C@@H]4C[C@@H](O[C@@H]5C[C@@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](C)O4)[C@H](C)C[C@@H](C)[C@@H]3[C@@]2(C)\C(O)=C2\C(=O)OC3(C[C@H](C)C(C)=C[C@H]3\C=C1\C)C2=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C54H78N2O17/c1-24-13-16-37(70-41-23-52(10,56(64)65)47(32(9)69-41)55-51(63)66-12)26(3)19-33-18-25(2)29(6)22-54(33)49(61)42(50(62)73-54)48(60)53(11)35(24)15-14-34-43(53)27(4)17-28(5)46(34)72-40-21-38(45(59)31(8)68-40)71-39-20-36(57)44(58)30(7)67-39/h13-15,18-19,27-41,43-47,57-60H,16-17,20-23H2,1-12H3,(H,55,63)/b24-13-,26-19-,48-42-/t27-,28-,29+,30+,31+,32+,33+,34-,35-,36-,37?,38-,39-,40-,41+,43+,44+,45+,46-,47-,52-,53+,54?/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | MVMHAFZCUXRAAA-ONHUXMMOSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
