Showing NP-Card for Marinomycin D (NP0006201)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 03:14:16 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:54:07 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0006201 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Marinomycin D | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Marinomycin D is found in Marinispora sp. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0006201 (Marinomycin D)
Mrv1652307012119033D
151153 0 0 0 0 999 V2000
-9.3831 1.0905 -1.1073 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3295 0.4196 -1.9532 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.9802 0.6526 -1.2335 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.9099 2.0734 -1.2251 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0714 0.0867 0.1160 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.8933 0.1407 1.0280 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6521 -0.5729 0.5279 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9061 -1.6274 -0.4973 C 0 0 1 0 0 0 0 0 0 0 0 0
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-4.4870 -3.9323 -1.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9382 -5.1311 -1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3426 -5.5744 0.1752 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5879 -6.9648 0.2623 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8488 -5.3883 0.2364 C 0 0 2 0 0 0 0 0 0 0 0 0
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6.2929 -3.0588 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.5085 -2.0351 -0.7434 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9968 -0.7604 -0.4546 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2875 -0.4769 -1.1525 C 0 0 1 0 0 0 0 0 0 0 0 0
9.4208 -1.3818 -0.8264 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2307 -2.8196 -1.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6259 -0.9379 -1.3937 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9906 0.3505 -0.8012 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7927 1.2338 0.3771 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6706 0.8797 1.3882 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0637 2.6968 0.0521 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1693 3.1482 -1.0306 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0226 3.7490 -0.8214 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4858 4.0474 0.5248 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7322 5.3619 0.9107 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.7507 0.4794 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1747 4.8872 -0.0366 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7804 5.6193 -1.0250 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2013 4.3805 -0.4217 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4931 4.6932 -1.8616 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5166 4.1938 -2.8735 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5595 5.3537 -2.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6182 5.8860 -1.4537 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7161 5.2796 -1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1369 3.9289 -1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8094 2.8300 -0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9162 2.7056 0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0886 3.2840 1.7169 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1921 4.1344 2.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8531 5.4929 2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7844 6.4303 2.6544 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0926 6.0671 2.8215 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4704 4.7391 2.6443 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8152 4.4296 2.8279 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5064 3.7797 2.2939 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0284 2.3742 2.2984 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0469 2.3054 3.1491 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5866 1.3318 1.5968 O 0 0 0 0 0 0 0 0 0 0 0 0
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-4.4999 -7.1462 0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5003 -5.6281 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6338 -4.3397 0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.1280 -7.3179 -1.9852 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.9178 -6.1211 -0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1956 -4.2232 -2.4927 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.9262 -3.9778 2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9977 -4.9997 2.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6879 -5.6806 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.6748 -1.7108 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3031 -0.6539 0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9965 -1.6166 3.1407 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1751 -2.5294 5.0572 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3292 -3.6860 4.7035 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0231 -4.2219 1.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2234 -0.7413 0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1245 -0.5243 -2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5736 0.5999 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6165 -1.3480 0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1326 -3.1885 -1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0
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11.3555 -1.3321 -0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4294 0.9247 -1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0753 -0.0917 -1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7741 1.1978 0.8153 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2665 0.8854 2.2797 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1225 2.7700 -0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9647 3.2658 0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4830 2.9693 -2.0718 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4299 4.0464 -1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0007 3.4020 1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4179 5.7932 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8014 2.8477 -0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7138 3.4525 1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0222 5.5873 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5346 6.5782 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9775 4.7570 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1751 3.2804 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0728 3.8983 -3.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0169 3.2836 -2.5343 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1911 5.0064 -3.2007 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5502 5.5125 -3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5556 6.9786 -1.1916 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4415 5.9249 -0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8968 3.7121 -2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2451 1.8743 -0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.8237 5.8382 2.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.8479 6.8201 3.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4571 5.1579 3.0783 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
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38 43 1 0 0 0 0
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44 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
52 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
55 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
63 64 1 0 0 0 0
64 65 2 0 0 0 0
65 66 1 0 0 0 0
66 67 2 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
68 70 2 0 0 0 0
70 71 1 0 0 0 0
71 72 2 0 0 0 0
71 73 1 0 0 0 0
73 6 1 0 0 0 0
34 28 1 0 0 0 0
70 64 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
2 77 1 0 0 0 0
2 78 1 0 0 0 0
3 79 1 6 0 0 0
4 80 1 0 0 0 0
5 81 1 0 0 0 0
5 82 1 0 0 0 0
6 83 1 1 0 0 0
7 84 1 0 0 0 0
7 85 1 0 0 0 0
8 86 1 6 0 0 0
9 87 1 0 0 0 0
10 88 1 0 0 0 0
10 89 1 0 0 0 0
11 90 1 0 0 0 0
12 91 1 0 0 0 0
13 92 1 1 0 0 0
14 93 1 0 0 0 0
15 94 1 0 0 0 0
15 95 1 0 0 0 0
16 96 1 1 0 0 0
17 97 1 0 0 0 0
18 98 1 0 0 0 0
18 99 1 0 0 0 0
20100 1 0 0 0 0
20101 1 0 0 0 0
20102 1 0 0 0 0
21103 1 0 0 0 0
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69151 1 0 0 0 0
M END
3D MOL for NP0006201 (Marinomycin D)
RDKit 3D
151153 0 0 0 0 0 0 0 0999 V2000
-9.3831 1.0905 -1.1073 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3295 0.4196 -1.9532 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9802 0.6526 -1.2335 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.9099 2.0734 -1.2251 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0714 0.0867 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8933 0.1407 1.0280 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6521 -0.5729 0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9061 -1.6274 -0.4973 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.1415 -1.4347 -1.6584 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5059 -3.0373 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4870 -3.9323 -1.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9382 -5.1311 -1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3426 -5.5744 0.1752 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5879 -6.9648 0.2623 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8488 -5.3883 0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0933 -6.2690 -0.7296 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7169 -6.4251 -1.9533 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3209 -5.6922 -0.9414 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1884 -4.1938 -0.8555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5253 -3.4822 -1.9804 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6663 -3.4710 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3818 -4.0370 1.2569 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5764 -4.5926 1.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3482 -4.7137 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6490 -3.6609 -0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2806 -2.3034 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6415 -1.6873 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4502 -2.2545 1.6684 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9414 -2.1349 2.9679 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5960 -2.6384 4.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7796 -3.2731 3.8607 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3255 -3.4159 2.5955 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5301 -4.0712 2.4694 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6483 -2.8963 1.4833 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2929 -3.0588 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6446 -4.2792 -0.0770 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5085 -2.0351 -0.7434 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9968 -0.7604 -0.4546 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2875 -0.4769 -1.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4208 -1.3818 -0.8264 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2307 -2.8196 -1.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6259 -0.9379 -1.3937 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9906 0.3505 -0.8012 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7927 1.2338 0.3771 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6706 0.8797 1.3882 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0637 2.6968 0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1693 3.1482 -1.0306 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0226 3.7490 -0.8214 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4858 4.0474 0.5248 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7322 5.3619 0.9107 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.7507 0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1747 4.8872 -0.0366 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7804 5.6193 -1.0250 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2013 4.3805 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4931 4.6932 -1.8616 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5166 4.1938 -2.8735 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5595 5.3537 -2.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6182 5.8860 -1.4537 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7161 5.2796 -1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1369 3.9289 -1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8094 2.8300 -0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9162 2.7056 0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0886 3.2840 1.7169 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1921 4.1344 2.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8531 5.4929 2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7844 6.4303 2.6544 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0926 6.0671 2.8215 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4704 4.7391 2.6443 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8152 4.4296 2.8279 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5064 3.7797 2.2939 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0284 2.3742 2.2984 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0469 2.3054 3.1491 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5866 1.3318 1.5968 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.3053 1.3161 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7623 0.3798 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0377 1.9863 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2666 0.8333 -2.9722 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5704 -0.6637 -1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1934 0.3345 -1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0931 2.3876 -0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5488 -0.9215 0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8715 0.7143 0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2171 -0.5889 1.8801 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8036 0.0730 0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2586 -1.1581 1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9718 -1.7046 -0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7651 -1.5590 -2.4236 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5177 -2.9470 0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2149 -3.3686 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9354 -3.5823 -2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9496 -5.7609 -1.9922 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8543 -5.1502 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4999 -7.1462 0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5003 -5.6281 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6338 -4.3397 0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0190 -7.2702 -0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1280 -7.3179 -1.9852 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7379 -5.9820 -1.9114 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9178 -6.1211 -0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1956 -4.2232 -2.4927 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0910 -2.6159 -1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2091 -3.1565 -2.7457 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4661 -2.3768 0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9262 -3.9778 2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9977 -4.9997 2.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6879 -5.6806 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2210 -3.8676 -1.7274 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6748 -1.7108 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3031 -0.6539 0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9965 -1.6166 3.1407 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1751 -2.5294 5.0572 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3292 -3.6860 4.7035 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0231 -4.2219 1.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2234 -0.7413 0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1245 -0.5243 -2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5736 0.5999 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6165 -1.3480 0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1326 -3.1885 -1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3426 -2.9950 -1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2153 -3.4749 -0.2818 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3555 -1.3321 -0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4294 0.9247 -1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0753 -0.0917 -1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7741 1.1978 0.8153 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2665 0.8854 2.2797 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1225 2.7700 -0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9647 3.2658 0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4830 2.9693 -2.0718 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4299 4.0464 -1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0007 3.4020 1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4179 5.7932 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8014 2.8477 -0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7138 3.4525 1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0222 5.5873 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5346 6.5782 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9775 4.7570 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1751 3.2804 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0728 3.8983 -3.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0169 3.2836 -2.5343 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1911 5.0064 -3.2007 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5502 5.5125 -3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5556 6.9786 -1.1916 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4415 5.9249 -0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8968 3.7121 -2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2451 1.8743 -0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0063 2.0529 0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2605 3.1295 2.4607 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8237 5.8382 2.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4810 7.4681 2.7949 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8479 6.8201 3.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4571 5.1579 3.0783 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
8 10 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 1 0
13 15 1 0
15 16 1 0
16 17 1 0
16 18 1 0
18 19 1 0
19 20 1 0
19 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 28 1 0
28 29 2 0
29 30 1 0
30 31 2 0
31 32 1 0
32 33 1 0
32 34 2 0
34 35 1 0
35 36 2 0
35 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
40 42 1 0
38 43 1 0
43 44 1 0
44 45 1 0
44 46 1 0
46 47 1 0
47 48 2 0
48 49 1 0
49 50 1 0
49 51 1 0
51 52 1 0
52 53 1 0
52 54 1 0
54 55 1 0
55 56 1 0
55 57 2 0
57 58 1 0
58 59 2 0
59 60 1 0
60 61 2 0
61 62 1 0
62 63 2 0
63 64 1 0
64 65 2 0
65 66 1 0
66 67 2 0
67 68 1 0
68 69 1 0
68 70 2 0
70 71 1 0
71 72 2 0
71 73 1 0
73 6 1 0
34 28 1 0
70 64 1 0
1 74 1 0
1 75 1 0
1 76 1 0
2 77 1 0
2 78 1 0
3 79 1 6
4 80 1 0
5 81 1 0
5 82 1 0
6 83 1 1
7 84 1 0
7 85 1 0
8 86 1 6
9 87 1 0
10 88 1 0
10 89 1 0
11 90 1 0
12 91 1 0
13 92 1 1
14 93 1 0
15 94 1 0
15 95 1 0
16 96 1 1
17 97 1 0
18 98 1 0
18 99 1 0
20100 1 0
20101 1 0
20102 1 0
21103 1 0
22104 1 0
23105 1 0
24106 1 0
25107 1 0
26108 1 0
27109 1 0
29110 1 0
30111 1 0
31112 1 0
33113 1 0
38114 1 1
39115 1 0
39116 1 0
40117 1 1
41118 1 0
41119 1 0
41120 1 0
42121 1 0
43122 1 0
43123 1 0
44124 1 1
45125 1 0
46126 1 0
46127 1 0
47128 1 0
48129 1 0
49130 1 1
50131 1 0
51132 1 0
51133 1 0
52134 1 1
53135 1 0
54136 1 0
54137 1 0
56138 1 0
56139 1 0
56140 1 0
57141 1 0
58142 1 0
59143 1 0
60144 1 0
61145 1 0
62146 1 0
63147 1 0
65148 1 0
66149 1 0
67150 1 0
69151 1 0
M END
3D SDF for NP0006201 (Marinomycin D)
Mrv1652307012119033D
151153 0 0 0 0 999 V2000
-9.3831 1.0905 -1.1073 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3295 0.4196 -1.9532 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.9802 0.6526 -1.2335 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.9099 2.0734 -1.2251 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0714 0.0867 0.1160 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.8933 0.1407 1.0280 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6521 -0.5729 0.5279 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.9061 -1.6274 -0.4973 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.1415 -1.4347 -1.6584 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5059 -3.0373 -0.0213 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.4870 -3.9323 -1.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9382 -5.1311 -1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3426 -5.5744 0.1752 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5879 -6.9648 0.2623 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8488 -5.3883 0.2364 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0933 -6.2690 -0.7296 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7169 -6.4251 -1.9533 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3209 -5.6922 -0.9414 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1884 -4.1938 -0.8555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5253 -3.4822 -1.9804 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6663 -3.4710 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3818 -4.0370 1.2569 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5764 -4.5926 1.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3482 -4.7137 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6490 -3.6609 -0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2806 -2.3034 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6415 -1.6873 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4502 -2.2545 1.6684 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9414 -2.1349 2.9679 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5960 -2.6384 4.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7796 -3.2731 3.8607 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3255 -3.4159 2.5955 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5301 -4.0712 2.4694 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6483 -2.8963 1.4833 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2929 -3.0588 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6446 -4.2792 -0.0770 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5085 -2.0351 -0.7434 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9968 -0.7604 -0.4546 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2875 -0.4769 -1.1525 C 0 0 1 0 0 0 0 0 0 0 0 0
9.4208 -1.3818 -0.8264 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2307 -2.8196 -1.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6259 -0.9379 -1.3937 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9906 0.3505 -0.8012 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7927 1.2338 0.3771 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6706 0.8797 1.3882 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0637 2.6968 0.0521 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1693 3.1482 -1.0306 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0226 3.7490 -0.8214 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4858 4.0474 0.5248 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7322 5.3619 0.9107 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.7507 0.4794 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1747 4.8872 -0.0366 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7804 5.6193 -1.0250 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2013 4.3805 -0.4217 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4931 4.6932 -1.8616 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5166 4.1938 -2.8735 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5595 5.3537 -2.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6182 5.8860 -1.4537 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7161 5.2796 -1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1369 3.9289 -1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8094 2.8300 -0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9162 2.7056 0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0886 3.2840 1.7169 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1921 4.1344 2.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8531 5.4929 2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7844 6.4303 2.6544 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0926 6.0671 2.8215 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4704 4.7391 2.6443 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8152 4.4296 2.8279 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5064 3.7797 2.2939 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0284 2.3742 2.2984 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0469 2.3054 3.1491 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5866 1.3318 1.5968 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.3053 1.3161 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7623 0.3798 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0377 1.9863 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2666 0.8333 -2.9722 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5704 -0.6637 -1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1934 0.3345 -1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0931 2.3876 -0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5488 -0.9215 0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8715 0.7143 0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2171 -0.5889 1.8801 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8036 0.0730 0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2586 -1.1581 1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9718 -1.7046 -0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7651 -1.5590 -2.4236 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5177 -2.9470 0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2149 -3.3686 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9354 -3.5823 -2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9496 -5.7609 -1.9922 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8543 -5.1502 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4999 -7.1462 0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5003 -5.6281 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6338 -4.3397 0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0190 -7.2702 -0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1280 -7.3179 -1.9852 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7379 -5.9820 -1.9114 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9178 -6.1211 -0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1956 -4.2232 -2.4927 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0910 -2.6159 -1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2091 -3.1565 -2.7457 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4661 -2.3768 0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9262 -3.9778 2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9977 -4.9997 2.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6879 -5.6806 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2210 -3.8676 -1.7274 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6748 -1.7108 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3031 -0.6539 0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9965 -1.6166 3.1407 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1751 -2.5294 5.0572 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3292 -3.6860 4.7035 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0231 -4.2219 1.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2234 -0.7413 0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1245 -0.5243 -2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5736 0.5999 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6165 -1.3480 0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1326 -3.1885 -1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3426 -2.9950 -1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2153 -3.4749 -0.2818 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3555 -1.3321 -0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4294 0.9247 -1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0753 -0.0917 -1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7741 1.1978 0.8153 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2665 0.8854 2.2797 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1225 2.7700 -0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9647 3.2658 0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4830 2.9693 -2.0718 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4299 4.0464 -1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0007 3.4020 1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4179 5.7932 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8014 2.8477 -0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7138 3.4525 1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0222 5.5873 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5346 6.5782 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9775 4.7570 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1751 3.2804 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0728 3.8983 -3.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0169 3.2836 -2.5343 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1911 5.0064 -3.2007 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5502 5.5125 -3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5556 6.9786 -1.1916 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4415 5.9249 -0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8968 3.7121 -2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2451 1.8743 -0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0063 2.0529 0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2605 3.1295 2.4607 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8237 5.8382 2.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4810 7.4681 2.7949 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8479 6.8201 3.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4571 5.1579 3.0783 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 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
13 14 1 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 1 0 0 0 0
38 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
44 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
52 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
55 57 2 0 0 0 0
57 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
63 64 1 0 0 0 0
64 65 2 0 0 0 0
65 66 1 0 0 0 0
66 67 2 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
68 70 2 0 0 0 0
70 71 1 0 0 0 0
71 72 2 0 0 0 0
71 73 1 0 0 0 0
73 6 1 0 0 0 0
34 28 1 0 0 0 0
70 64 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
2 77 1 0 0 0 0
2 78 1 0 0 0 0
3 79 1 6 0 0 0
4 80 1 0 0 0 0
5 81 1 0 0 0 0
5 82 1 0 0 0 0
6 83 1 1 0 0 0
7 84 1 0 0 0 0
7 85 1 0 0 0 0
8 86 1 6 0 0 0
9 87 1 0 0 0 0
10 88 1 0 0 0 0
10 89 1 0 0 0 0
11 90 1 0 0 0 0
12 91 1 0 0 0 0
13 92 1 1 0 0 0
14 93 1 0 0 0 0
15 94 1 0 0 0 0
15 95 1 0 0 0 0
16 96 1 1 0 0 0
17 97 1 0 0 0 0
18 98 1 0 0 0 0
18 99 1 0 0 0 0
20100 1 0 0 0 0
20101 1 0 0 0 0
20102 1 0 0 0 0
21103 1 0 0 0 0
22104 1 0 0 0 0
23105 1 0 0 0 0
24106 1 0 0 0 0
25107 1 0 0 0 0
26108 1 0 0 0 0
27109 1 0 0 0 0
29110 1 0 0 0 0
30111 1 0 0 0 0
31112 1 0 0 0 0
33113 1 0 0 0 0
38114 1 1 0 0 0
39115 1 0 0 0 0
39116 1 0 0 0 0
40117 1 1 0 0 0
41118 1 0 0 0 0
41119 1 0 0 0 0
41120 1 0 0 0 0
42121 1 0 0 0 0
43122 1 0 0 0 0
43123 1 0 0 0 0
44124 1 1 0 0 0
45125 1 0 0 0 0
46126 1 0 0 0 0
46127 1 0 0 0 0
47128 1 0 0 0 0
48129 1 0 0 0 0
49130 1 1 0 0 0
50131 1 0 0 0 0
51132 1 0 0 0 0
51133 1 0 0 0 0
52134 1 1 0 0 0
53135 1 0 0 0 0
54136 1 0 0 0 0
54137 1 0 0 0 0
56138 1 0 0 0 0
56139 1 0 0 0 0
56140 1 0 0 0 0
57141 1 0 0 0 0
58142 1 0 0 0 0
59143 1 0 0 0 0
60144 1 0 0 0 0
61145 1 0 0 0 0
62146 1 0 0 0 0
63147 1 0 0 0 0
65148 1 0 0 0 0
66149 1 0 0 0 0
67150 1 0 0 0 0
69151 1 0 0 0 0
M END
> <DATABASE_ID>
NP0006201
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C2C(=C([H])C([H])=C1[H])\C([H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C(C([H])([H])[H])\C([H])([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])\C([H])=C([H])/C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(OC(=O)C1=C(O[H])C([H])=C([H])C([H])=C1\C([H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C(C([H])([H])[H])\C([H])([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])\C([H])=C([H])/C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(OC2=O)C([H])([H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C59H78O14/c1-5-45(61)37-53-39-49(65)29-19-27-47(63)36-51(67)33-41(3)20-12-8-6-10-14-22-43-24-16-30-54(68)56(43)58(70)72-52(34-42(4)60)38-48(64)28-18-26-46(62)35-50(66)32-40(2)21-13-9-7-11-15-23-44-25-17-31-55(69)57(44)59(71)73-53/h6-27,30-31,42,45-53,60-69H,5,28-29,32-39H2,1-4H3/b10-6-,11-7-,12-8-,13-9-,22-14-,23-15-,26-18-,27-19-,40-21-,41-20-/t42-,45-,46-,47-,48+,49+,50+,51+,52+,53+/m1/s1
> <INCHI_KEY>
VKKOVWWTIIRQQA-XVCSODCXSA-N
> <FORMULA>
C59H78O14
> <MOLECULAR_WEIGHT>
1011.259
> <EXACT_MASS>
1010.539157192
> <JCHEM_ACCEPTOR_COUNT>
12
> <JCHEM_ATOM_COUNT>
151
> <JCHEM_AVERAGE_POLARIZABILITY>
110.50692556021303
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
10
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(4S,6S,8Z,10S,12S,14Z,16Z,18Z,20Z,30S,32S,34Z,36S,38S,40Z,42Z,44Z,46Z)-6,10,12,26,32,36,38,52-octahydroxy-4-[(2R)-2-hydroxybutyl]-30-[(2R)-2-hydroxypropyl]-14,40-dimethyl-3,29-dioxatricyclo[46.4.0.0^{22,27}]dopentaconta-1(52),8,14,16,18,20,22,24,26,34,40,42,44,46,48,50-hexadecaene-2,28-dione
> <ALOGPS_LOGP>
5.55
> <JCHEM_LOGP>
7.900444958333334
> <ALOGPS_LOGS>
-5.61
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
3
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
9.971213213862983
> <JCHEM_PKA_STRONGEST_ACIDIC>
9.36916567518817
> <JCHEM_PKA_STRONGEST_BASIC>
-2.7457195046769174
> <JCHEM_POLAR_SURFACE_AREA>
254.89999999999995
> <JCHEM_REFRACTIVITY>
298.2616
> <JCHEM_ROTATABLE_BOND_COUNT>
5
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
2.47e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(4S,6S,8Z,10S,12S,14Z,16Z,18Z,20Z,30S,32S,34Z,36S,38S,40Z,42Z,44Z,46Z)-6,10,12,26,32,36,38,52-octahydroxy-4-[(2R)-2-hydroxybutyl]-30-[(2R)-2-hydroxypropyl]-14,40-dimethyl-3,29-dioxatricyclo[46.4.0.0^{22,27}]dopentaconta-1(52),8,14,16,18,20,22,24,26,34,40,42,44,46,48,50-hexadecaene-2,28-dione
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0006201 (Marinomycin D)
RDKit 3D
151153 0 0 0 0 0 0 0 0999 V2000
-9.3831 1.0905 -1.1073 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3295 0.4196 -1.9532 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9802 0.6526 -1.2335 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.9099 2.0734 -1.2251 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0714 0.0867 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8933 0.1407 1.0280 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6521 -0.5729 0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9061 -1.6274 -0.4973 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.1415 -1.4347 -1.6584 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5059 -3.0373 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4870 -3.9323 -1.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9382 -5.1311 -1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3426 -5.5744 0.1752 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5879 -6.9648 0.2623 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8488 -5.3883 0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0933 -6.2690 -0.7296 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7169 -6.4251 -1.9533 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3209 -5.6922 -0.9414 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1884 -4.1938 -0.8555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5253 -3.4822 -1.9804 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6663 -3.4710 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3818 -4.0370 1.2569 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5764 -4.5926 1.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3482 -4.7137 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6490 -3.6609 -0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2806 -2.3034 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6415 -1.6873 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4502 -2.2545 1.6684 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9414 -2.1349 2.9679 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5960 -2.6384 4.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7796 -3.2731 3.8607 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3255 -3.4159 2.5955 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5301 -4.0712 2.4694 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6483 -2.8963 1.4833 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2929 -3.0588 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6446 -4.2792 -0.0770 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5085 -2.0351 -0.7434 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9968 -0.7604 -0.4546 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2875 -0.4769 -1.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4208 -1.3818 -0.8264 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2307 -2.8196 -1.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6259 -0.9379 -1.3937 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9906 0.3505 -0.8012 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7927 1.2338 0.3771 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6706 0.8797 1.3882 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0637 2.6968 0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1693 3.1482 -1.0306 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0226 3.7490 -0.8214 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4858 4.0474 0.5248 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7322 5.3619 0.9107 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.7507 0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1747 4.8872 -0.0366 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7804 5.6193 -1.0250 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2013 4.3805 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4931 4.6932 -1.8616 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5166 4.1938 -2.8735 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5595 5.3537 -2.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6182 5.8860 -1.4537 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7161 5.2796 -1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1369 3.9289 -1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8094 2.8300 -0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9162 2.7056 0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0886 3.2840 1.7169 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1921 4.1344 2.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8531 5.4929 2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7844 6.4303 2.6544 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0926 6.0671 2.8215 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4704 4.7391 2.6443 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8152 4.4296 2.8279 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5064 3.7797 2.2939 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0284 2.3742 2.2984 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0469 2.3054 3.1491 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5866 1.3318 1.5968 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.3053 1.3161 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7623 0.3798 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0377 1.9863 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2666 0.8333 -2.9722 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5704 -0.6637 -1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1934 0.3345 -1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0931 2.3876 -0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5488 -0.9215 0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8715 0.7143 0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2171 -0.5889 1.8801 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8036 0.0730 0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2586 -1.1581 1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9718 -1.7046 -0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7651 -1.5590 -2.4236 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5177 -2.9470 0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2149 -3.3686 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9354 -3.5823 -2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9496 -5.7609 -1.9922 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8543 -5.1502 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4999 -7.1462 0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5003 -5.6281 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6338 -4.3397 0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0190 -7.2702 -0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1280 -7.3179 -1.9852 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7379 -5.9820 -1.9114 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9178 -6.1211 -0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1956 -4.2232 -2.4927 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0910 -2.6159 -1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2091 -3.1565 -2.7457 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4661 -2.3768 0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9262 -3.9778 2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9977 -4.9997 2.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6879 -5.6806 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2210 -3.8676 -1.7274 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6748 -1.7108 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3031 -0.6539 0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9965 -1.6166 3.1407 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1751 -2.5294 5.0572 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3292 -3.6860 4.7035 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0231 -4.2219 1.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2234 -0.7413 0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1245 -0.5243 -2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5736 0.5999 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6165 -1.3480 0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1326 -3.1885 -1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3426 -2.9950 -1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2153 -3.4749 -0.2818 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3555 -1.3321 -0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4294 0.9247 -1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0753 -0.0917 -1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7741 1.1978 0.8153 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2665 0.8854 2.2797 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1225 2.7700 -0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9647 3.2658 0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4830 2.9693 -2.0718 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4299 4.0464 -1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0007 3.4020 1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4179 5.7932 0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8014 2.8477 -0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7138 3.4525 1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0222 5.5873 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5346 6.5782 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9775 4.7570 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1751 3.2804 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0728 3.8983 -3.7859 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0169 3.2836 -2.5343 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1911 5.0064 -3.2007 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5502 5.5125 -3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5556 6.9786 -1.1916 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4415 5.9249 -0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8968 3.7121 -2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2451 1.8743 -0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0063 2.0529 0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2605 3.1295 2.4607 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8237 5.8382 2.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4810 7.4681 2.7949 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8479 6.8201 3.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4571 5.1579 3.0783 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
8 10 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 1 0
13 15 1 0
15 16 1 0
16 17 1 0
16 18 1 0
18 19 1 0
19 20 1 0
19 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 28 1 0
28 29 2 0
29 30 1 0
30 31 2 0
31 32 1 0
32 33 1 0
32 34 2 0
34 35 1 0
35 36 2 0
35 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
40 42 1 0
38 43 1 0
43 44 1 0
44 45 1 0
44 46 1 0
46 47 1 0
47 48 2 0
48 49 1 0
49 50 1 0
49 51 1 0
51 52 1 0
52 53 1 0
52 54 1 0
54 55 1 0
55 56 1 0
55 57 2 0
57 58 1 0
58 59 2 0
59 60 1 0
60 61 2 0
61 62 1 0
62 63 2 0
63 64 1 0
64 65 2 0
65 66 1 0
66 67 2 0
67 68 1 0
68 69 1 0
68 70 2 0
70 71 1 0
71 72 2 0
71 73 1 0
73 6 1 0
34 28 1 0
70 64 1 0
1 74 1 0
1 75 1 0
1 76 1 0
2 77 1 0
2 78 1 0
3 79 1 6
4 80 1 0
5 81 1 0
5 82 1 0
6 83 1 1
7 84 1 0
7 85 1 0
8 86 1 6
9 87 1 0
10 88 1 0
10 89 1 0
11 90 1 0
12 91 1 0
13 92 1 1
14 93 1 0
15 94 1 0
15 95 1 0
16 96 1 1
17 97 1 0
18 98 1 0
18 99 1 0
20100 1 0
20101 1 0
20102 1 0
21103 1 0
22104 1 0
23105 1 0
24106 1 0
25107 1 0
26108 1 0
27109 1 0
29110 1 0
30111 1 0
31112 1 0
33113 1 0
38114 1 1
39115 1 0
39116 1 0
40117 1 1
41118 1 0
41119 1 0
41120 1 0
42121 1 0
43122 1 0
43123 1 0
44124 1 1
45125 1 0
46126 1 0
46127 1 0
47128 1 0
48129 1 0
49130 1 1
50131 1 0
51132 1 0
51133 1 0
52134 1 1
53135 1 0
54136 1 0
54137 1 0
56138 1 0
56139 1 0
56140 1 0
57141 1 0
58142 1 0
59143 1 0
60144 1 0
61145 1 0
62146 1 0
63147 1 0
65148 1 0
66149 1 0
67150 1 0
69151 1 0
M END
PDB for NP0006201 (Marinomycin D)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 -9.383 1.091 -1.107 0.00 0.00 C+0 HETATM 2 C UNK 0 -8.329 0.420 -1.953 0.00 0.00 C+0 HETATM 3 C UNK 0 -6.980 0.653 -1.234 0.00 0.00 C+0 HETATM 4 O UNK 0 -6.910 2.073 -1.225 0.00 0.00 O+0 HETATM 5 C UNK 0 -7.071 0.087 0.116 0.00 0.00 C+0 HETATM 6 C UNK 0 -5.893 0.141 1.028 0.00 0.00 C+0 HETATM 7 C UNK 0 -4.652 -0.573 0.528 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.906 -1.627 -0.497 0.00 0.00 C+0 HETATM 9 O UNK 0 -4.141 -1.435 -1.658 0.00 0.00 O+0 HETATM 10 C UNK 0 -4.506 -3.037 -0.021 0.00 0.00 C+0 HETATM 11 C UNK 0 -4.487 -3.932 -1.192 0.00 0.00 C+0 HETATM 12 C UNK 0 -3.938 -5.131 -1.101 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.343 -5.574 0.175 0.00 0.00 C+0 HETATM 14 O UNK 0 -3.588 -6.965 0.262 0.00 0.00 O+0 HETATM 15 C UNK 0 -1.849 -5.388 0.236 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.093 -6.269 -0.730 0.00 0.00 C+0 HETATM 17 O UNK 0 -1.717 -6.425 -1.953 0.00 0.00 O+0 HETATM 18 C UNK 0 0.321 -5.692 -0.941 0.00 0.00 C+0 HETATM 19 C UNK 0 0.188 -4.194 -0.856 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.525 -3.482 -1.980 0.00 0.00 C+0 HETATM 21 C UNK 0 0.666 -3.471 0.134 0.00 0.00 C+0 HETATM 22 C UNK 0 1.382 -4.037 1.257 0.00 0.00 C+0 HETATM 23 C UNK 0 2.576 -4.593 1.166 0.00 0.00 C+0 HETATM 24 C UNK 0 3.348 -4.714 -0.065 0.00 0.00 C+0 HETATM 25 C UNK 0 3.649 -3.661 -0.804 0.00 0.00 C+0 HETATM 26 C UNK 0 3.281 -2.303 -0.519 0.00 0.00 C+0 HETATM 27 C UNK 0 3.642 -1.687 0.587 0.00 0.00 C+0 HETATM 28 C UNK 0 4.450 -2.255 1.668 0.00 0.00 C+0 HETATM 29 C UNK 0 3.941 -2.135 2.968 0.00 0.00 C+0 HETATM 30 C UNK 0 4.596 -2.638 4.061 0.00 0.00 C+0 HETATM 31 C UNK 0 5.780 -3.273 3.861 0.00 0.00 C+0 HETATM 32 C UNK 0 6.325 -3.416 2.595 0.00 0.00 C+0 HETATM 33 O UNK 0 7.530 -4.071 2.469 0.00 0.00 O+0 HETATM 34 C UNK 0 5.648 -2.896 1.483 0.00 0.00 C+0 HETATM 35 C UNK 0 6.293 -3.059 0.160 0.00 0.00 C+0 HETATM 36 O UNK 0 6.645 -4.279 -0.077 0.00 0.00 O+0 HETATM 37 O UNK 0 6.508 -2.035 -0.743 0.00 0.00 O+0 HETATM 38 C UNK 0 6.997 -0.760 -0.455 0.00 0.00 C+0 HETATM 39 C UNK 0 8.287 -0.477 -1.153 0.00 0.00 C+0 HETATM 40 C UNK 0 9.421 -1.382 -0.826 0.00 0.00 C+0 HETATM 41 C UNK 0 9.231 -2.820 -1.176 0.00 0.00 C+0 HETATM 42 O UNK 0 10.626 -0.938 -1.394 0.00 0.00 O+0 HETATM 43 C UNK 0 5.991 0.351 -0.801 0.00 0.00 C+0 HETATM 44 C UNK 0 5.793 1.234 0.377 0.00 0.00 C+0 HETATM 45 O UNK 0 6.671 0.880 1.388 0.00 0.00 O+0 HETATM 46 C UNK 0 6.064 2.697 0.052 0.00 0.00 C+0 HETATM 47 C UNK 0 5.169 3.148 -1.031 0.00 0.00 C+0 HETATM 48 C UNK 0 4.023 3.749 -0.821 0.00 0.00 C+0 HETATM 49 C UNK 0 3.486 4.047 0.525 0.00 0.00 C+0 HETATM 50 O UNK 0 3.732 5.362 0.911 0.00 0.00 O+0 HETATM 51 C UNK 0 2.000 3.751 0.479 0.00 0.00 C+0 HETATM 52 C UNK 0 1.175 4.887 -0.037 0.00 0.00 C+0 HETATM 53 O UNK 0 1.780 5.619 -1.025 0.00 0.00 O+0 HETATM 54 C UNK 0 -0.201 4.380 -0.422 0.00 0.00 C+0 HETATM 55 C UNK 0 -0.493 4.693 -1.862 0.00 0.00 C+0 HETATM 56 C UNK 0 0.517 4.194 -2.874 0.00 0.00 C+0 HETATM 57 C UNK 0 -1.560 5.354 -2.256 0.00 0.00 C+0 HETATM 58 C UNK 0 -2.618 5.886 -1.454 0.00 0.00 C+0 HETATM 59 C UNK 0 -3.716 5.280 -1.020 0.00 0.00 C+0 HETATM 60 C UNK 0 -4.137 3.929 -1.240 0.00 0.00 C+0 HETATM 61 C UNK 0 -3.809 2.830 -0.599 0.00 0.00 C+0 HETATM 62 C UNK 0 -2.916 2.706 0.531 0.00 0.00 C+0 HETATM 63 C UNK 0 -3.089 3.284 1.717 0.00 0.00 C+0 HETATM 64 C UNK 0 -4.192 4.134 2.116 0.00 0.00 C+0 HETATM 65 C UNK 0 -3.853 5.493 2.311 0.00 0.00 C+0 HETATM 66 C UNK 0 -4.784 6.430 2.654 0.00 0.00 C+0 HETATM 67 C UNK 0 -6.093 6.067 2.821 0.00 0.00 C+0 HETATM 68 C UNK 0 -6.470 4.739 2.644 0.00 0.00 C+0 HETATM 69 O UNK 0 -7.815 4.430 2.828 0.00 0.00 O+0 HETATM 70 C UNK 0 -5.506 3.780 2.294 0.00 0.00 C+0 HETATM 71 C UNK 0 -6.028 2.374 2.298 0.00 0.00 C+0 HETATM 72 O UNK 0 -7.047 2.305 3.149 0.00 0.00 O+0 HETATM 73 O UNK 0 -5.587 1.332 1.597 0.00 0.00 O+0 HETATM 74 H UNK 0 -10.305 1.316 -1.708 0.00 0.00 H+0 HETATM 75 H UNK 0 -9.762 0.380 -0.314 0.00 0.00 H+0 HETATM 76 H UNK 0 -9.038 1.986 -0.569 0.00 0.00 H+0 HETATM 77 H UNK 0 -8.267 0.833 -2.972 0.00 0.00 H+0 HETATM 78 H UNK 0 -8.570 -0.664 -1.966 0.00 0.00 H+0 HETATM 79 H UNK 0 -6.193 0.335 -1.900 0.00 0.00 H+0 HETATM 80 H UNK 0 -7.093 2.388 -0.334 0.00 0.00 H+0 HETATM 81 H UNK 0 -7.549 -0.922 0.127 0.00 0.00 H+0 HETATM 82 H UNK 0 -7.872 0.714 0.659 0.00 0.00 H+0 HETATM 83 H UNK 0 -6.217 -0.589 1.880 0.00 0.00 H+0 HETATM 84 H UNK 0 -3.804 0.073 0.299 0.00 0.00 H+0 HETATM 85 H UNK 0 -4.259 -1.158 1.441 0.00 0.00 H+0 HETATM 86 H UNK 0 -5.972 -1.705 -0.724 0.00 0.00 H+0 HETATM 87 H UNK 0 -4.765 -1.559 -2.424 0.00 0.00 H+0 HETATM 88 H UNK 0 -3.518 -2.947 0.469 0.00 0.00 H+0 HETATM 89 H UNK 0 -5.215 -3.369 0.765 0.00 0.00 H+0 HETATM 90 H UNK 0 -4.935 -3.582 -2.129 0.00 0.00 H+0 HETATM 91 H UNK 0 -3.950 -5.761 -1.992 0.00 0.00 H+0 HETATM 92 H UNK 0 -3.854 -5.150 1.063 0.00 0.00 H+0 HETATM 93 H UNK 0 -4.500 -7.146 0.591 0.00 0.00 H+0 HETATM 94 H UNK 0 -1.500 -5.628 1.275 0.00 0.00 H+0 HETATM 95 H UNK 0 -1.634 -4.340 0.022 0.00 0.00 H+0 HETATM 96 H UNK 0 -1.019 -7.270 -0.246 0.00 0.00 H+0 HETATM 97 H UNK 0 -2.128 -7.318 -1.985 0.00 0.00 H+0 HETATM 98 H UNK 0 0.738 -5.982 -1.911 0.00 0.00 H+0 HETATM 99 H UNK 0 0.918 -6.121 -0.138 0.00 0.00 H+0 HETATM 100 H UNK 0 -1.196 -4.223 -2.493 0.00 0.00 H+0 HETATM 101 H UNK 0 -1.091 -2.616 -1.639 0.00 0.00 H+0 HETATM 102 H UNK 0 0.209 -3.156 -2.746 0.00 0.00 H+0 HETATM 103 H UNK 0 0.466 -2.377 0.086 0.00 0.00 H+0 HETATM 104 H UNK 0 0.926 -3.978 2.265 0.00 0.00 H+0 HETATM 105 H UNK 0 2.998 -5.000 2.102 0.00 0.00 H+0 HETATM 106 H UNK 0 3.688 -5.681 -0.377 0.00 0.00 H+0 HETATM 107 H UNK 0 4.221 -3.868 -1.727 0.00 0.00 H+0 HETATM 108 H UNK 0 2.675 -1.711 -1.246 0.00 0.00 H+0 HETATM 109 H UNK 0 3.303 -0.654 0.746 0.00 0.00 H+0 HETATM 110 H UNK 0 2.997 -1.617 3.141 0.00 0.00 H+0 HETATM 111 H UNK 0 4.175 -2.529 5.057 0.00 0.00 H+0 HETATM 112 H UNK 0 6.329 -3.686 4.704 0.00 0.00 H+0 HETATM 113 H UNK 0 8.023 -4.222 1.639 0.00 0.00 H+0 HETATM 114 H UNK 0 7.223 -0.741 0.644 0.00 0.00 H+0 HETATM 115 H UNK 0 8.124 -0.524 -2.281 0.00 0.00 H+0 HETATM 116 H UNK 0 8.574 0.600 -0.966 0.00 0.00 H+0 HETATM 117 H UNK 0 9.617 -1.348 0.292 0.00 0.00 H+0 HETATM 118 H UNK 0 10.133 -3.188 -1.758 0.00 0.00 H+0 HETATM 119 H UNK 0 8.343 -2.995 -1.817 0.00 0.00 H+0 HETATM 120 H UNK 0 9.215 -3.475 -0.282 0.00 0.00 H+0 HETATM 121 H UNK 0 11.355 -1.332 -0.860 0.00 0.00 H+0 HETATM 122 H UNK 0 6.429 0.925 -1.666 0.00 0.00 H+0 HETATM 123 H UNK 0 5.075 -0.092 -1.171 0.00 0.00 H+0 HETATM 124 H UNK 0 4.774 1.198 0.815 0.00 0.00 H+0 HETATM 125 H UNK 0 6.266 0.885 2.280 0.00 0.00 H+0 HETATM 126 H UNK 0 7.122 2.770 -0.336 0.00 0.00 H+0 HETATM 127 H UNK 0 5.965 3.266 0.992 0.00 0.00 H+0 HETATM 128 H UNK 0 5.483 2.969 -2.072 0.00 0.00 H+0 HETATM 129 H UNK 0 3.430 4.046 -1.679 0.00 0.00 H+0 HETATM 130 H UNK 0 4.001 3.402 1.258 0.00 0.00 H+0 HETATM 131 H UNK 0 4.418 5.793 0.325 0.00 0.00 H+0 HETATM 132 H UNK 0 1.801 2.848 -0.162 0.00 0.00 H+0 HETATM 133 H UNK 0 1.714 3.453 1.508 0.00 0.00 H+0 HETATM 134 H UNK 0 1.022 5.587 0.827 0.00 0.00 H+0 HETATM 135 H UNK 0 1.535 6.578 -1.037 0.00 0.00 H+0 HETATM 136 H UNK 0 -0.978 4.757 0.241 0.00 0.00 H+0 HETATM 137 H UNK 0 -0.175 3.280 -0.367 0.00 0.00 H+0 HETATM 138 H UNK 0 -0.073 3.898 -3.786 0.00 0.00 H+0 HETATM 139 H UNK 0 1.017 3.284 -2.534 0.00 0.00 H+0 HETATM 140 H UNK 0 1.191 5.006 -3.201 0.00 0.00 H+0 HETATM 141 H UNK 0 -1.550 5.513 -3.373 0.00 0.00 H+0 HETATM 142 H UNK 0 -2.556 6.979 -1.192 0.00 0.00 H+0 HETATM 143 H UNK 0 -4.441 5.925 -0.441 0.00 0.00 H+0 HETATM 144 H UNK 0 -4.897 3.712 -2.061 0.00 0.00 H+0 HETATM 145 H UNK 0 -4.245 1.874 -0.982 0.00 0.00 H+0 HETATM 146 H UNK 0 -2.006 2.053 0.436 0.00 0.00 H+0 HETATM 147 H UNK 0 -2.260 3.130 2.461 0.00 0.00 H+0 HETATM 148 H UNK 0 -2.824 5.838 2.229 0.00 0.00 H+0 HETATM 149 H UNK 0 -4.481 7.468 2.795 0.00 0.00 H+0 HETATM 150 H UNK 0 -6.848 6.820 3.096 0.00 0.00 H+0 HETATM 151 H UNK 0 -8.457 5.158 3.078 0.00 0.00 H+0 CONECT 1 2 74 75 76 CONECT 2 1 3 77 78 CONECT 3 2 4 5 79 CONECT 4 3 80 CONECT 5 3 6 81 82 CONECT 6 5 7 73 83 CONECT 7 6 8 84 85 CONECT 8 7 9 10 86 CONECT 9 8 87 CONECT 10 8 11 88 89 CONECT 11 10 12 90 CONECT 12 11 13 91 CONECT 13 12 14 15 92 CONECT 14 13 93 CONECT 15 13 16 94 95 CONECT 16 15 17 18 96 CONECT 17 16 97 CONECT 18 16 19 98 99 CONECT 19 18 20 21 CONECT 20 19 100 101 102 CONECT 21 19 22 103 CONECT 22 21 23 104 CONECT 23 22 24 105 CONECT 24 23 25 106 CONECT 25 24 26 107 CONECT 26 25 27 108 CONECT 27 26 28 109 CONECT 28 27 29 34 CONECT 29 28 30 110 CONECT 30 29 31 111 CONECT 31 30 32 112 CONECT 32 31 33 34 CONECT 33 32 113 CONECT 34 32 35 28 CONECT 35 34 36 37 CONECT 36 35 CONECT 37 35 38 CONECT 38 37 39 43 114 CONECT 39 38 40 115 116 CONECT 40 39 41 42 117 CONECT 41 40 118 119 120 CONECT 42 40 121 CONECT 43 38 44 122 123 CONECT 44 43 45 46 124 CONECT 45 44 125 CONECT 46 44 47 126 127 CONECT 47 46 48 128 CONECT 48 47 49 129 CONECT 49 48 50 51 130 CONECT 50 49 131 CONECT 51 49 52 132 133 CONECT 52 51 53 54 134 CONECT 53 52 135 CONECT 54 52 55 136 137 CONECT 55 54 56 57 CONECT 56 55 138 139 140 CONECT 57 55 58 141 CONECT 58 57 59 142 CONECT 59 58 60 143 CONECT 60 59 61 144 CONECT 61 60 62 145 CONECT 62 61 63 146 CONECT 63 62 64 147 CONECT 64 63 65 70 CONECT 65 64 66 148 CONECT 66 65 67 149 CONECT 67 66 68 150 CONECT 68 67 69 70 CONECT 69 68 151 CONECT 70 68 71 64 CONECT 71 70 72 73 CONECT 72 71 CONECT 73 71 6 CONECT 74 1 CONECT 75 1 CONECT 76 1 CONECT 77 2 CONECT 78 2 CONECT 79 3 CONECT 80 4 CONECT 81 5 CONECT 82 5 CONECT 83 6 CONECT 84 7 CONECT 85 7 CONECT 86 8 CONECT 87 9 CONECT 88 10 CONECT 89 10 CONECT 90 11 CONECT 91 12 CONECT 92 13 CONECT 93 14 CONECT 94 15 CONECT 95 15 CONECT 96 16 CONECT 97 17 CONECT 98 18 CONECT 99 18 CONECT 100 20 CONECT 101 20 CONECT 102 20 CONECT 103 21 CONECT 104 22 CONECT 105 23 CONECT 106 24 CONECT 107 25 CONECT 108 26 CONECT 109 27 CONECT 110 29 CONECT 111 30 CONECT 112 31 CONECT 113 33 CONECT 114 38 CONECT 115 39 CONECT 116 39 CONECT 117 40 CONECT 118 41 CONECT 119 41 CONECT 120 41 CONECT 121 42 CONECT 122 43 CONECT 123 43 CONECT 124 44 CONECT 125 45 CONECT 126 46 CONECT 127 46 CONECT 128 47 CONECT 129 48 CONECT 130 49 CONECT 131 50 CONECT 132 51 CONECT 133 51 CONECT 134 52 CONECT 135 53 CONECT 136 54 CONECT 137 54 CONECT 138 56 CONECT 139 56 CONECT 140 56 CONECT 141 57 CONECT 142 58 CONECT 143 59 CONECT 144 60 CONECT 145 61 CONECT 146 62 CONECT 147 63 CONECT 148 65 CONECT 149 66 CONECT 150 67 CONECT 151 69 MASTER 0 0 0 0 0 0 0 0 151 0 306 0 END SMILES for NP0006201 (Marinomycin D)[H]OC1=C2C(=C([H])C([H])=C1[H])\C([H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C(C([H])([H])[H])\C([H])([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])\C([H])=C([H])/C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(OC(=O)C1=C(O[H])C([H])=C([H])C([H])=C1\C([H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C(C([H])([H])[H])\C([H])([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])\C([H])=C([H])/C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(OC2=O)C([H])([H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[H] INCHI for NP0006201 (Marinomycin D)InChI=1S/C59H78O14/c1-5-45(61)37-53-39-49(65)29-19-27-47(63)36-51(67)33-41(3)20-12-8-6-10-14-22-43-24-16-30-54(68)56(43)58(70)72-52(34-42(4)60)38-48(64)28-18-26-46(62)35-50(66)32-40(2)21-13-9-7-11-15-23-44-25-17-31-55(69)57(44)59(71)73-53/h6-27,30-31,42,45-53,60-69H,5,28-29,32-39H2,1-4H3/b10-6-,11-7-,12-8-,13-9-,22-14-,23-15-,26-18-,27-19-,40-21-,41-20-/t42-,45-,46-,47-,48+,49+,50+,51+,52+,53+/m1/s1 3D Structure for NP0006201 (Marinomycin D) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C59H78O14 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1011.2590 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1010.53916 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (4S,6S,8Z,10S,12S,14Z,16Z,18Z,20Z,30S,32S,34Z,36S,38S,40Z,42Z,44Z,46Z)-6,10,12,26,32,36,38,52-octahydroxy-4-[(2R)-2-hydroxybutyl]-30-[(2R)-2-hydroxypropyl]-14,40-dimethyl-3,29-dioxatricyclo[46.4.0.0^{22,27}]dopentaconta-1(52),8,14,16,18,20,22,24,26,34,40,42,44,46,48,50-hexadecaene-2,28-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (4S,6S,8Z,10S,12S,14Z,16Z,18Z,20Z,30S,32S,34Z,36S,38S,40Z,42Z,44Z,46Z)-6,10,12,26,32,36,38,52-octahydroxy-4-[(2R)-2-hydroxybutyl]-30-[(2R)-2-hydroxypropyl]-14,40-dimethyl-3,29-dioxatricyclo[46.4.0.0^{22,27}]dopentaconta-1(52),8,14,16,18,20,22,24,26,34,40,42,44,46,48,50-hexadecaene-2,28-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC[C@@H](O)C[C@H]1C[C@@H](O)CC=C[C@@H](O)C[C@@H](O)CC(C)=CC=CC=CC=CC2=C(C(O)=CC=C2)C(=O)O[C@@H](C[C@@H](C)O)C[C@@H](O)CC=C[C@@H](O)C[C@@H](O)CC(C)=CC=CC=CC=CC2=C(C(O)=CC=C2)C(=O)O1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C59H78O14/c1-5-45(61)37-53-39-49(65)29-19-27-47(63)36-51(67)33-41(3)20-12-8-6-10-14-22-43-24-16-30-54(68)56(43)58(70)72-52(34-42(4)60)38-48(64)28-18-26-46(62)35-50(66)32-40(2)21-13-9-7-11-15-23-44-25-17-31-55(69)57(44)59(71)73-53/h6-27,30-31,42,45-53,60-69H,5,28-29,32-39H2,1-4H3/b10-6-,11-7-,12-8-,13-9-,22-14-,23-15-,26-18-,27-19-,40-21-,41-20-/t42-,45-,46-,47-,48+,49+,50+,51+,52+,53+/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | VKKOVWWTIIRQQA-XVCSODCXSA-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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
