Showing NP-Card for Microviridin L (NP0009099)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 06:33:08 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:02:18 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0009099 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Microviridin L | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | (2S)-2-({[(1S,4S,10S,13S,19R,22S,25S,29S,30S,33S,43S)-33-benzyl-2,11,21,24,31,34,41,45,47-nonahydroxy-30-({1-hydroxy-2-[(1-hydroxy-2-{[(2S)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-(4-hydroxyphenyl)propylidene]amino}ethylidene)amino]ethylidene}amino)-4-[(4-hydroxyphenyl)methyl]-22-[(1H-indol-3-yl)methyl]-29-methyl-5,16,27-trioxo-15,28-dioxa-3,6,12,20,23,32,35,40,44,46-decaazatetracyclo[17.16.10.2¹³,²⁵.0⁶,¹⁰]Heptatetraconta-2,11,20,23,31,34,40,44,46-nonaen-43-yl](hydroxy)methylidene}amino)-3-(4-hydroxyphenyl)propanoic acid belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Microviridin L is found in Microcystis. Microviridin L was first documented in 2010 (PMID: 20363789). Based on a literature review very few articles have been published on (2S)-2-({[(1S,4S,10S,13S,19R,22S,25S,29S,30S,33S,43S)-33-benzyl-2,11,21,24,31,34,41,45,47-nonahydroxy-30-({1-hydroxy-2-[(1-hydroxy-2-{[(2S)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-(4-hydroxyphenyl)propylidene]amino}ethylidene)amino]ethylidene}amino)-4-[(4-hydroxyphenyl)methyl]-22-[(1H-indol-3-yl)methyl]-29-methyl-5,16,27-trioxo-15,28-dioxa-3,6,12,20,23,32,35,40,44,46-decaazatetracyclo[17.16.10.2¹³,²⁵.0⁶,¹⁰]Heptatetraconta-2,11,20,23,31,34,40,44,46-nonaen-43-yl](hydroxy)methylidene}amino)-3-(4-hydroxyphenyl)propanoic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0009099 (Microviridin L)
Mrv1652307012120313D
222231 0 0 0 0 999 V2000
14.2843 5.3357 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0727 3.9090 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0021 3.1982 -0.6423 O 0 0 0 0 0 0 0 0 0 0 0 0
12.8129 3.3046 0.0723 N 0 0 0 0 0 0 0 0 0 0 0 0
12.5669 1.9039 -0.1450 C 0 0 1 0 0 0 0 0 0 0 0 0
12.0838 1.2336 1.1459 C 0 0 1 0 0 0 0 0 0 0 0 0
13.1964 1.4659 2.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2082 0.5205 2.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2369 0.7505 3.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2931 1.8790 3.8688 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3725 2.0284 4.7283 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2683 2.7822 3.7886 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2209 2.5614 2.9028 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5497 1.7305 -1.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9803 2.7098 -1.7578 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2234 0.3837 -1.5897 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2438 0.1071 -2.6072 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9171 0.5668 -2.1819 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9389 0.4870 -3.0111 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6823 1.0894 -0.8917 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3344 1.5346 -0.5895 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3302 0.4144 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7986 -0.7216 -0.9741 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9917 0.7659 -0.5800 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8063 -0.0686 -0.6672 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1096 -1.4948 -1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6204 -1.6230 -2.1883 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9001 -2.6320 -0.2377 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9562 -2.8706 0.8329 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5875 -2.4352 2.1062 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8156 -2.5705 3.3481 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0280 -1.5507 3.8554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3209 -1.6262 5.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3712 -2.7900 5.7737 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1448 -3.8203 5.2957 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8605 -3.7370 4.1125 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5913 -2.4249 0.5454 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4341 -1.8440 -0.6092 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4442 -2.5485 1.3540 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3064 -3.7191 1.6955 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1323 -3.4553 2.9661 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7850 -2.1307 3.0113 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2749 -2.1900 3.4039 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7693 -0.7631 3.1556 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.2077 -0.6962 3.0166 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.8823 0.3569 2.3653 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0906 0.1926 2.0515 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2892 1.6719 2.0068 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.3270 2.7761 2.0619 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2870 3.3972 3.4476 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4134 4.2752 3.7249 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2475 2.9585 4.3828 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2904 3.4614 5.7416 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.1606 4.7292 5.8316 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5565 4.4754 5.4022 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9044 4.6137 4.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2088 4.4004 3.6626 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1835 4.0520 4.5616 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.5090 3.8399 4.1336 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.8610 3.9133 5.8729 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5455 4.1271 6.2835 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7545 2.5223 6.7439 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1197 1.3232 6.4491 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8332 2.8453 8.0704 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1184 3.8109 1.0761 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2857 3.8420 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3675 4.7726 -0.0558 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2385 2.9971 -1.2338 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4637 2.1266 -1.3420 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.1667 1.1366 -2.4532 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.6973 -0.2087 -2.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9604 -0.3305 -2.0555 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8323 -1.2808 -2.2214 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0464 -1.6261 -3.3206 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6388 -2.1025 -2.9144 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8127 -3.3748 -2.1986 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4438 -4.6415 -2.6257 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9402 -5.6914 -2.0547 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5168 -4.9036 -3.6991 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8828 -6.1386 -4.5120 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5779 -6.4463 -5.2112 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6445 -5.3088 -4.8251 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1296 -5.1207 -3.4163 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4327 -5.1300 -2.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5995 -4.3510 -2.1740 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6683 -5.8746 -0.9586 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9967 -7.3296 -1.1878 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.2554 -8.1110 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5535 -8.3019 0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8214 -9.0158 1.6336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7957 -9.5722 2.3882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0698 -10.2847 3.5455 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5223 -9.3834 1.9375 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2502 -8.6797 0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5388 -5.2362 -0.0064 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3498 -4.0453 0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1415 -3.0606 0.4416 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0483 -1.1412 -1.9405 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8552 -0.9283 -0.9450 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8253 -0.4928 -1.9637 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3571 0.6369 -2.7213 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1763 0.6174 -2.8944 C 0 0 2 0 0 0 0 0 0 0 0 0
0.7933 1.5545 -1.9052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1233 2.5570 -1.5465 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0408 1.3907 -1.3642 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9951 0.4976 -1.8392 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9279 1.2869 -2.7751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9952 0.9328 -3.9852 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0613 0.0452 -4.8743 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5826 2.1909 -4.3438 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9386 3.2246 -3.4051 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0821 4.4265 -3.5987 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1727 5.0558 -4.9323 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2940 4.7855 -5.9854 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6769 5.5144 -7.0379 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7542 6.2434 -6.7295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5272 7.1565 -7.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6071 7.8154 -6.8836 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9052 7.5252 -5.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1702 6.6304 -4.8539 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0892 5.9716 -5.3984 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3718 3.5625 -3.5286 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8782 3.5785 -4.6992 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1903 3.8649 -2.4105 N 0 0 0 0 0 0 0 0 0 0 0 0
13.7810 5.6930 0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8912 5.9152 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3758 5.4987 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0081 3.8912 0.4551 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5023 1.4310 -0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1882 1.7242 1.5218 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9359 0.1677 0.9893 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1880 -0.3660 1.5232 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0518 0.0532 3.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3033 1.6369 5.6515 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2631 3.6608 4.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4397 3.3185 2.8927 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7191 -0.3864 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5316 0.6102 -3.5689 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2359 -0.9994 -2.7929 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4528 1.1281 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3323 1.8031 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0784 2.4073 -1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7481 1.7852 -0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2403 -0.0158 0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5517 -3.4600 -0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8604 -4.0039 0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9287 -1.3843 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5121 -3.0954 2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0012 -0.6383 3.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7195 -0.7849 5.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7993 -2.8206 6.6840 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1592 -4.7238 5.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4457 -4.5842 3.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0900 -1.6159 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3526 -4.5997 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4679 -3.6898 3.8211 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8827 -4.3072 2.9837 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3203 -1.5183 3.8341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7892 -1.5342 2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8106 -2.9266 2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3205 -2.4531 4.4795 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4989 -0.2048 4.0772 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2609 -0.3507 2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7346 -1.5102 3.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5215 1.8927 2.7791 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8790 1.5994 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3143 2.3205 1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9506 2.2561 4.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2371 3.7941 6.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6638 5.5163 5.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1729 5.0132 6.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1280 4.8873 3.3343 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5040 4.5056 2.6075 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.7687 2.9007 3.8505 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6510 3.6284 6.5605 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3439 4.0050 7.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6762 2.8407 8.6030 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7001 4.7158 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3067 2.3883 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7433 1.5717 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3637 2.7524 -1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0552 1.0626 -2.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6047 1.5386 -3.3949 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5247 -2.5556 -3.7592 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0113 -0.9100 -4.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0743 -2.2285 -3.8381 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2812 -3.2890 -1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5202 -4.0740 -4.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2042 -6.9114 -3.8075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6858 -5.8498 -5.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7555 -6.4996 -6.3005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2027 -7.4147 -4.7954 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9422 -4.4396 -5.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4044 -5.5274 -4.8929 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3246 -5.9494 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1061 -7.7612 -1.7136 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8194 -7.3974 -1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3968 -7.9047 -0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8421 -9.1476 1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2238 -11.2804 3.5042 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2791 -9.8445 2.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7625 -8.5426 0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4484 -5.7729 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0332 -0.8548 -1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5058 1.5458 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4277 1.0059 -3.9062 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5821 -0.3860 -2.7981 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5965 -0.3103 -2.4939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7150 0.6376 -3.1969 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3262 2.1969 -2.2913 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3224 1.6382 -3.6298 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7626 2.3695 -5.3606 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7430 2.8924 -2.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0012 4.2196 -3.4033 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4540 5.2193 -2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4397 4.0922 -5.9348 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2000 5.5149 -7.9792 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2534 7.3573 -8.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1678 8.5228 -7.4858 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7606 8.0461 -5.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4022 6.4031 -3.8277 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7687 4.7307 -2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
12 13 2 0 0 0 0
5 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 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
26 27 2 0 0 0 0
26 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 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
29 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
50 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
58 60 1 0 0 0 0
60 61 2 0 0 0 0
53 62 1 0 0 0 0
62 63 2 0 0 0 0
62 64 1 0 0 0 0
49 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 2 0 0 0 0
66 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 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 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
77 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 2 0 0 0 0
84 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
88 89 2 0 0 0 0
89 90 1 0 0 0 0
90 91 2 0 0 0 0
91 92 1 0 0 0 0
91 93 1 0 0 0 0
93 94 2 0 0 0 0
86 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 2 0 0 0 0
75 98 1 0 0 0 0
98 99 2 0 0 0 0
98100 1 0 0 0 0
100101 1 0 0 0 0
101102 1 0 0 0 0
102103 1 0 0 0 0
103104 2 0 0 0 0
103105 1 0 0 0 0
105106 1 0 0 0 0
106107 1 0 0 0 0
101108 1 0 0 0 0
108109 2 0 0 0 0
108110 1 0 0 0 0
110111 1 0 0 0 0
111112 1 0 0 0 0
112113 1 0 0 0 0
113114 2 0 0 0 0
114115 1 0 0 0 0
115116 1 0 0 0 0
116117 2 0 0 0 0
117118 1 0 0 0 0
118119 2 0 0 0 0
119120 1 0 0 0 0
120121 2 0 0 0 0
111122 1 0 0 0 0
122123 2 0 0 0 0
122124 1 0 0 0 0
13 7 1 0 0 0 0
106 25 1 0 0 0 0
121113 1 0 0 0 0
36 31 1 0 0 0 0
96 40 1 0 0 0 0
121116 1 0 0 0 0
61 55 1 0 0 0 0
124 68 1 0 0 0 0
83 79 1 0 0 0 0
94 88 1 0 0 0 0
1125 1 0 0 0 0
1126 1 0 0 0 0
1127 1 0 0 0 0
4128 1 0 0 0 0
5129 1 6 0 0 0
6130 1 0 0 0 0
6131 1 0 0 0 0
8132 1 0 0 0 0
9133 1 0 0 0 0
11134 1 0 0 0 0
12135 1 0 0 0 0
13136 1 0 0 0 0
16137 1 0 0 0 0
17138 1 0 0 0 0
17139 1 0 0 0 0
20140 1 0 0 0 0
21141 1 0 0 0 0
21142 1 0 0 0 0
24143 1 0 0 0 0
25144 1 1 0 0 0
28145 1 0 0 0 0
29146 1 1 0 0 0
30147 1 0 0 0 0
30148 1 0 0 0 0
32149 1 0 0 0 0
33150 1 0 0 0 0
34151 1 0 0 0 0
35152 1 0 0 0 0
36153 1 0 0 0 0
39154 1 0 0 0 0
40155 1 1 0 0 0
41156 1 0 0 0 0
41157 1 0 0 0 0
42158 1 0 0 0 0
42159 1 0 0 0 0
43160 1 0 0 0 0
43161 1 0 0 0 0
44162 1 0 0 0 0
44163 1 0 0 0 0
45164 1 0 0 0 0
48165 1 0 0 0 0
48166 1 0 0 0 0
49167 1 6 0 0 0
52168 1 0 0 0 0
53169 1 1 0 0 0
54170 1 0 0 0 0
54171 1 0 0 0 0
56172 1 0 0 0 0
57173 1 0 0 0 0
59174 1 0 0 0 0
60175 1 0 0 0 0
61176 1 0 0 0 0
64177 1 0 0 0 0
65178 1 0 0 0 0
68179 1 1 0 0 0
69180 1 0 0 0 0
69181 1 0 0 0 0
70182 1 0 0 0 0
70183 1 0 0 0 0
74184 1 0 0 0 0
74185 1 0 0 0 0
75186 1 6 0 0 0
76187 1 0 0 0 0
79188 1 6 0 0 0
80189 1 0 0 0 0
80190 1 0 0 0 0
81191 1 0 0 0 0
81192 1 0 0 0 0
82193 1 0 0 0 0
82194 1 0 0 0 0
86195 1 1 0 0 0
87196 1 0 0 0 0
87197 1 0 0 0 0
89198 1 0 0 0 0
90199 1 0 0 0 0
92200 1 0 0 0 0
93201 1 0 0 0 0
94202 1 0 0 0 0
95203 1 0 0 0 0
100204 1 0 0 0 0
101205 1 1 0 0 0
102206 1 0 0 0 0
102207 1 0 0 0 0
106208 1 6 0 0 0
107209 1 0 0 0 0
107210 1 0 0 0 0
107211 1 0 0 0 0
110212 1 0 0 0 0
111213 1 1 0 0 0
112214 1 0 0 0 0
112215 1 0 0 0 0
114216 1 0 0 0 0
115217 1 0 0 0 0
117218 1 0 0 0 0
118219 1 0 0 0 0
119220 1 0 0 0 0
120221 1 0 0 0 0
124222 1 0 0 0 0
M END
3D MOL for NP0009099 (Microviridin L)
RDKit 3D
222231 0 0 0 0 0 0 0 0999 V2000
14.2843 5.3357 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0727 3.9090 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0021 3.1982 -0.6423 O 0 0 0 0 0 0 0 0 0 0 0 0
12.8129 3.3046 0.0723 N 0 0 0 0 0 0 0 0 0 0 0 0
12.5669 1.9039 -0.1450 C 0 0 1 0 0 0 0 0 0 0 0 0
12.0838 1.2336 1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1964 1.4659 2.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2082 0.5205 2.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2369 0.7505 3.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2931 1.8790 3.8688 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3725 2.0284 4.7283 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2683 2.7822 3.7886 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2209 2.5614 2.9028 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5497 1.7305 -1.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9803 2.7098 -1.7578 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2234 0.3837 -1.5897 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2438 0.1071 -2.6072 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9171 0.5668 -2.1819 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9389 0.4870 -3.0111 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6823 1.0894 -0.8917 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3344 1.5346 -0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3302 0.4144 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7986 -0.7216 -0.9741 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9917 0.7659 -0.5800 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8063 -0.0686 -0.6672 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1096 -1.4948 -1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6204 -1.6230 -2.1883 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9001 -2.6320 -0.2377 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9562 -2.8706 0.8329 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5875 -2.4352 2.1062 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8156 -2.5705 3.3481 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0280 -1.5507 3.8554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3209 -1.6262 5.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3712 -2.7900 5.7737 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1448 -3.8203 5.2957 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8605 -3.7370 4.1125 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5913 -2.4249 0.5454 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4341 -1.8440 -0.6092 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4442 -2.5485 1.3540 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3064 -3.7191 1.6955 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1323 -3.4553 2.9661 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7850 -2.1307 3.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2749 -2.1900 3.4039 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7693 -0.7631 3.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2077 -0.6962 3.0166 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.8823 0.3569 2.3653 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0906 0.1926 2.0515 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2892 1.6719 2.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3270 2.7761 2.0619 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2870 3.3972 3.4476 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4134 4.2752 3.7249 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2475 2.9585 4.3828 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2904 3.4614 5.7416 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.1606 4.7292 5.8316 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5565 4.4754 5.4022 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9044 4.6137 4.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2088 4.4004 3.6626 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1835 4.0520 4.5616 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.5090 3.8399 4.1336 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.8610 3.9133 5.8729 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5455 4.1271 6.2835 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7545 2.5223 6.7439 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1197 1.3232 6.4491 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8332 2.8453 8.0704 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1184 3.8109 1.0761 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2857 3.8420 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3675 4.7726 -0.0558 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2385 2.9971 -1.2338 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4637 2.1266 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1667 1.1366 -2.4532 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6973 -0.2087 -2.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9604 -0.3305 -2.0555 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8323 -1.2808 -2.2214 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0464 -1.6261 -3.3206 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6388 -2.1025 -2.9144 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8127 -3.3748 -2.1986 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4438 -4.6415 -2.6257 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9402 -5.6914 -2.0547 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5168 -4.9036 -3.6991 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8828 -6.1386 -4.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5779 -6.4463 -5.2112 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6445 -5.3088 -4.8251 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1296 -5.1207 -3.4163 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4327 -5.1300 -2.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5995 -4.3510 -2.1740 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6683 -5.8746 -0.9586 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9967 -7.3296 -1.1878 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2554 -8.1110 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5535 -8.3019 0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8214 -9.0158 1.6336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7957 -9.5722 2.3882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0698 -10.2847 3.5455 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5223 -9.3834 1.9375 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2502 -8.6797 0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5388 -5.2362 -0.0064 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3498 -4.0453 0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1415 -3.0606 0.4416 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0483 -1.1412 -1.9405 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8552 -0.9283 -0.9450 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8253 -0.4928 -1.9637 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3571 0.6369 -2.7213 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1763 0.6174 -2.8944 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7933 1.5545 -1.9052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1233 2.5570 -1.5465 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0408 1.3907 -1.3642 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9951 0.4976 -1.8392 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9279 1.2869 -2.7751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9952 0.9328 -3.9852 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0613 0.0452 -4.8743 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5826 2.1909 -4.3438 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9386 3.2246 -3.4051 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0821 4.4265 -3.5987 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1727 5.0558 -4.9323 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2940 4.7855 -5.9854 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6769 5.5144 -7.0379 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7542 6.2434 -6.7295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5272 7.1565 -7.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6071 7.8154 -6.8836 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9052 7.5252 -5.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1702 6.6304 -4.8539 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0892 5.9716 -5.3984 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3718 3.5625 -3.5286 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8782 3.5785 -4.6992 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1903 3.8649 -2.4105 N 0 0 0 0 0 0 0 0 0 0 0 0
13.7810 5.6930 0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8912 5.9152 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3758 5.4987 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0081 3.8912 0.4551 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5023 1.4310 -0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1882 1.7242 1.5218 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9359 0.1677 0.9893 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1880 -0.3660 1.5232 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0518 0.0532 3.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3033 1.6369 5.6515 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2631 3.6608 4.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4397 3.3185 2.8927 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7191 -0.3864 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5316 0.6102 -3.5689 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2359 -0.9994 -2.7929 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4528 1.1281 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3323 1.8031 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0784 2.4073 -1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7481 1.7852 -0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2403 -0.0158 0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5517 -3.4600 -0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8604 -4.0039 0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9287 -1.3843 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5121 -3.0954 2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0012 -0.6383 3.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7195 -0.7849 5.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7993 -2.8206 6.6840 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1592 -4.7238 5.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4457 -4.5842 3.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0900 -1.6159 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3526 -4.5997 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4679 -3.6898 3.8211 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8827 -4.3072 2.9837 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3203 -1.5183 3.8341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7892 -1.5342 2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8106 -2.9266 2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3205 -2.4531 4.4795 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4989 -0.2048 4.0772 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2609 -0.3507 2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7346 -1.5102 3.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5215 1.8927 2.7791 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8790 1.5994 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3143 2.3205 1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9506 2.2561 4.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2371 3.7941 6.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6638 5.5163 5.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1729 5.0132 6.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1280 4.8873 3.3343 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5040 4.5056 2.6075 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.7687 2.9007 3.8505 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6510 3.6284 6.5605 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3439 4.0050 7.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6762 2.8407 8.6030 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7001 4.7158 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3067 2.3883 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7433 1.5717 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3637 2.7524 -1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0552 1.0626 -2.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6047 1.5386 -3.3949 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5247 -2.5556 -3.7592 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0113 -0.9100 -4.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0743 -2.2285 -3.8381 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2812 -3.2890 -1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5202 -4.0740 -4.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2042 -6.9114 -3.8075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6858 -5.8498 -5.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7555 -6.4996 -6.3005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2027 -7.4147 -4.7954 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9422 -4.4396 -5.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4044 -5.5274 -4.8929 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3246 -5.9494 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1061 -7.7612 -1.7136 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8194 -7.3974 -1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3968 -7.9047 -0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8421 -9.1476 1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2238 -11.2804 3.5042 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2791 -9.8445 2.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7625 -8.5426 0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4484 -5.7729 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0332 -0.8548 -1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5058 1.5458 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4277 1.0059 -3.9062 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5821 -0.3860 -2.7981 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5965 -0.3103 -2.4939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7150 0.6376 -3.1969 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3262 2.1969 -2.2913 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3224 1.6382 -3.6298 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7626 2.3695 -5.3606 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7430 2.8924 -2.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0012 4.2196 -3.4033 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4540 5.2193 -2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4397 4.0922 -5.9348 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2000 5.5149 -7.9792 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2534 7.3573 -8.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1678 8.5228 -7.4858 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7606 8.0461 -5.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4022 6.4031 -3.8277 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7687 4.7307 -2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
10 12 1 0
12 13 2 0
5 14 1 0
14 15 2 0
14 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 0
22 24 1 0
24 25 1 0
25 26 1 0
26 27 2 0
26 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
31 32 2 0
32 33 1 0
33 34 2 0
34 35 1 0
35 36 2 0
29 37 1 0
37 38 2 0
37 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
46 47 2 0
46 48 1 0
48 49 1 0
49 50 1 0
50 51 2 0
50 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
55 56 2 0
56 57 1 0
57 58 2 0
58 59 1 0
58 60 1 0
60 61 2 0
53 62 1 0
62 63 2 0
62 64 1 0
49 65 1 0
65 66 1 0
66 67 2 0
66 68 1 0
68 69 1 0
69 70 1 0
70 71 1 0
71 72 2 0
71 73 1 0
73 74 1 0
74 75 1 0
75 76 1 0
76 77 1 0
77 78 2 0
77 79 1 0
79 80 1 0
80 81 1 0
81 82 1 0
82 83 1 0
83 84 1 0
84 85 2 0
84 86 1 0
86 87 1 0
87 88 1 0
88 89 2 0
89 90 1 0
90 91 2 0
91 92 1 0
91 93 1 0
93 94 2 0
86 95 1 0
95 96 1 0
96 97 2 0
75 98 1 0
98 99 2 0
98100 1 0
100101 1 0
101102 1 0
102103 1 0
103104 2 0
103105 1 0
105106 1 0
106107 1 0
101108 1 0
108109 2 0
108110 1 0
110111 1 0
111112 1 0
112113 1 0
113114 2 0
114115 1 0
115116 1 0
116117 2 0
117118 1 0
118119 2 0
119120 1 0
120121 2 0
111122 1 0
122123 2 0
122124 1 0
13 7 1 0
106 25 1 0
121113 1 0
36 31 1 0
96 40 1 0
121116 1 0
61 55 1 0
124 68 1 0
83 79 1 0
94 88 1 0
1125 1 0
1126 1 0
1127 1 0
4128 1 0
5129 1 6
6130 1 0
6131 1 0
8132 1 0
9133 1 0
11134 1 0
12135 1 0
13136 1 0
16137 1 0
17138 1 0
17139 1 0
20140 1 0
21141 1 0
21142 1 0
24143 1 0
25144 1 1
28145 1 0
29146 1 1
30147 1 0
30148 1 0
32149 1 0
33150 1 0
34151 1 0
35152 1 0
36153 1 0
39154 1 0
40155 1 1
41156 1 0
41157 1 0
42158 1 0
42159 1 0
43160 1 0
43161 1 0
44162 1 0
44163 1 0
45164 1 0
48165 1 0
48166 1 0
49167 1 6
52168 1 0
53169 1 1
54170 1 0
54171 1 0
56172 1 0
57173 1 0
59174 1 0
60175 1 0
61176 1 0
64177 1 0
65178 1 0
68179 1 1
69180 1 0
69181 1 0
70182 1 0
70183 1 0
74184 1 0
74185 1 0
75186 1 6
76187 1 0
79188 1 6
80189 1 0
80190 1 0
81191 1 0
81192 1 0
82193 1 0
82194 1 0
86195 1 1
87196 1 0
87197 1 0
89198 1 0
90199 1 0
92200 1 0
93201 1 0
94202 1 0
95203 1 0
100204 1 0
101205 1 1
102206 1 0
102207 1 0
106208 1 6
107209 1 0
107210 1 0
107211 1 0
110212 1 0
111213 1 1
112214 1 0
112215 1 0
114216 1 0
115217 1 0
117218 1 0
118219 1 0
119220 1 0
120221 1 0
124222 1 0
M END
3D SDF for NP0009099 (Microviridin L)
Mrv1652307012120313D
222231 0 0 0 0 999 V2000
14.2843 5.3357 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0727 3.9090 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0021 3.1982 -0.6423 O 0 0 0 0 0 0 0 0 0 0 0 0
12.8129 3.3046 0.0723 N 0 0 0 0 0 0 0 0 0 0 0 0
12.5669 1.9039 -0.1450 C 0 0 1 0 0 0 0 0 0 0 0 0
12.0838 1.2336 1.1459 C 0 0 1 0 0 0 0 0 0 0 0 0
13.1964 1.4659 2.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2082 0.5205 2.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2369 0.7505 3.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2931 1.8790 3.8688 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3725 2.0284 4.7283 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2683 2.7822 3.7886 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2209 2.5614 2.9028 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5497 1.7305 -1.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9803 2.7098 -1.7578 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2234 0.3837 -1.5897 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2438 0.1071 -2.6072 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9171 0.5668 -2.1819 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9389 0.4870 -3.0111 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6823 1.0894 -0.8917 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3344 1.5346 -0.5895 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3302 0.4144 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7986 -0.7216 -0.9741 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9917 0.7659 -0.5800 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8063 -0.0686 -0.6672 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1096 -1.4948 -1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6204 -1.6230 -2.1883 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9001 -2.6320 -0.2377 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9562 -2.8706 0.8329 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5875 -2.4352 2.1062 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8156 -2.5705 3.3481 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0280 -1.5507 3.8554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3209 -1.6262 5.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3712 -2.7900 5.7737 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1448 -3.8203 5.2957 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8605 -3.7370 4.1125 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5913 -2.4249 0.5454 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4341 -1.8440 -0.6092 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4442 -2.5485 1.3540 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3064 -3.7191 1.6955 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1323 -3.4553 2.9661 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7850 -2.1307 3.0113 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2749 -2.1900 3.4039 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7693 -0.7631 3.1556 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.2077 -0.6962 3.0166 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.8823 0.3569 2.3653 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0906 0.1926 2.0515 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2892 1.6719 2.0068 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.3270 2.7761 2.0619 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2870 3.3972 3.4476 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4134 4.2752 3.7249 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2475 2.9585 4.3828 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2904 3.4614 5.7416 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.1606 4.7292 5.8316 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.5565 4.4754 5.4022 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9044 4.6137 4.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2088 4.4004 3.6626 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1835 4.0520 4.5616 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.5090 3.8399 4.1336 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.8610 3.9133 5.8729 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5455 4.1271 6.2835 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7545 2.5223 6.7439 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1197 1.3232 6.4491 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8332 2.8453 8.0704 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1184 3.8109 1.0761 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2857 3.8420 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3675 4.7726 -0.0558 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2385 2.9971 -1.2338 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4637 2.1266 -1.3420 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.1667 1.1366 -2.4532 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.6973 -0.2087 -2.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9604 -0.3305 -2.0555 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8323 -1.2808 -2.2214 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0464 -1.6261 -3.3206 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6388 -2.1025 -2.9144 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8127 -3.3748 -2.1986 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4438 -4.6415 -2.6257 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9402 -5.6914 -2.0547 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5168 -4.9036 -3.6991 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8828 -6.1386 -4.5120 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5779 -6.4463 -5.2112 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6445 -5.3088 -4.8251 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1296 -5.1207 -3.4163 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4327 -5.1300 -2.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5995 -4.3510 -2.1740 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6683 -5.8746 -0.9586 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9967 -7.3296 -1.1878 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.2554 -8.1110 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5535 -8.3019 0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8214 -9.0158 1.6336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7957 -9.5722 2.3882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0698 -10.2847 3.5455 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5223 -9.3834 1.9375 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2502 -8.6797 0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5388 -5.2362 -0.0064 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3498 -4.0453 0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1415 -3.0606 0.4416 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0483 -1.1412 -1.9405 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8552 -0.9283 -0.9450 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8253 -0.4928 -1.9637 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3571 0.6369 -2.7213 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1763 0.6174 -2.8944 C 0 0 2 0 0 0 0 0 0 0 0 0
0.7933 1.5545 -1.9052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1233 2.5570 -1.5465 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0408 1.3907 -1.3642 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9951 0.4976 -1.8392 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9279 1.2869 -2.7751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9952 0.9328 -3.9852 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0613 0.0452 -4.8743 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5826 2.1909 -4.3438 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9386 3.2246 -3.4051 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0821 4.4265 -3.5987 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1727 5.0558 -4.9323 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2940 4.7855 -5.9854 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6769 5.5144 -7.0379 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7542 6.2434 -6.7295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5272 7.1565 -7.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6071 7.8154 -6.8836 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9052 7.5252 -5.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1702 6.6304 -4.8539 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0892 5.9716 -5.3984 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3718 3.5625 -3.5286 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8782 3.5785 -4.6992 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1903 3.8649 -2.4105 N 0 0 0 0 0 0 0 0 0 0 0 0
13.7810 5.6930 0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8912 5.9152 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3758 5.4987 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0081 3.8912 0.4551 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5023 1.4310 -0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1882 1.7242 1.5218 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9359 0.1677 0.9893 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1880 -0.3660 1.5232 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0518 0.0532 3.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3033 1.6369 5.6515 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2631 3.6608 4.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4397 3.3185 2.8927 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7191 -0.3864 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5316 0.6102 -3.5689 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2359 -0.9994 -2.7929 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4528 1.1281 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3323 1.8031 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0784 2.4073 -1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7481 1.7852 -0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2403 -0.0158 0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5517 -3.4600 -0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8604 -4.0039 0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9287 -1.3843 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5121 -3.0954 2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0012 -0.6383 3.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7195 -0.7849 5.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7993 -2.8206 6.6840 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1592 -4.7238 5.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4457 -4.5842 3.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0900 -1.6159 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3526 -4.5997 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4679 -3.6898 3.8211 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8827 -4.3072 2.9837 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3203 -1.5183 3.8341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7892 -1.5342 2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8106 -2.9266 2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3205 -2.4531 4.4795 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4989 -0.2048 4.0772 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2609 -0.3507 2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7346 -1.5102 3.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5215 1.8927 2.7791 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8790 1.5994 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3143 2.3205 1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9506 2.2561 4.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2371 3.7941 6.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6638 5.5163 5.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1729 5.0132 6.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1280 4.8873 3.3343 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5040 4.5056 2.6075 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.7687 2.9007 3.8505 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6510 3.6284 6.5605 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3439 4.0050 7.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6762 2.8407 8.6030 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7001 4.7158 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3067 2.3883 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7433 1.5717 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3637 2.7524 -1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0552 1.0626 -2.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6047 1.5386 -3.3949 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5247 -2.5556 -3.7592 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0113 -0.9100 -4.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0743 -2.2285 -3.8381 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2812 -3.2890 -1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5202 -4.0740 -4.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2042 -6.9114 -3.8075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6858 -5.8498 -5.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7555 -6.4996 -6.3005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2027 -7.4147 -4.7954 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9422 -4.4396 -5.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4044 -5.5274 -4.8929 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3246 -5.9494 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1061 -7.7612 -1.7136 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8194 -7.3974 -1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3968 -7.9047 -0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8421 -9.1476 1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2238 -11.2804 3.5042 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2791 -9.8445 2.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7625 -8.5426 0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4484 -5.7729 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0332 -0.8548 -1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5058 1.5458 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4277 1.0059 -3.9062 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5821 -0.3860 -2.7981 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5965 -0.3103 -2.4939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7150 0.6376 -3.1969 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3262 2.1969 -2.2913 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3224 1.6382 -3.6298 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7626 2.3695 -5.3606 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7430 2.8924 -2.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0012 4.2196 -3.4033 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4540 5.2193 -2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4397 4.0922 -5.9348 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2000 5.5149 -7.9792 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2534 7.3573 -8.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1678 8.5228 -7.4858 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7606 8.0461 -5.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4022 6.4031 -3.8277 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7687 4.7307 -2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
12 13 2 0 0 0 0
5 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 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
26 27 2 0 0 0 0
26 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 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
29 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
50 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
58 60 1 0 0 0 0
60 61 2 0 0 0 0
53 62 1 0 0 0 0
62 63 2 0 0 0 0
62 64 1 0 0 0 0
49 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 2 0 0 0 0
66 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 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 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
77 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 2 0 0 0 0
84 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
88 89 2 0 0 0 0
89 90 1 0 0 0 0
90 91 2 0 0 0 0
91 92 1 0 0 0 0
91 93 1 0 0 0 0
93 94 2 0 0 0 0
86 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 2 0 0 0 0
75 98 1 0 0 0 0
98 99 2 0 0 0 0
98100 1 0 0 0 0
100101 1 0 0 0 0
101102 1 0 0 0 0
102103 1 0 0 0 0
103104 2 0 0 0 0
103105 1 0 0 0 0
105106 1 0 0 0 0
106107 1 0 0 0 0
101108 1 0 0 0 0
108109 2 0 0 0 0
108110 1 0 0 0 0
110111 1 0 0 0 0
111112 1 0 0 0 0
112113 1 0 0 0 0
113114 2 0 0 0 0
114115 1 0 0 0 0
115116 1 0 0 0 0
116117 2 0 0 0 0
117118 1 0 0 0 0
118119 2 0 0 0 0
119120 1 0 0 0 0
120121 2 0 0 0 0
111122 1 0 0 0 0
122123 2 0 0 0 0
122124 1 0 0 0 0
13 7 1 0 0 0 0
106 25 1 0 0 0 0
121113 1 0 0 0 0
36 31 1 0 0 0 0
96 40 1 0 0 0 0
121116 1 0 0 0 0
61 55 1 0 0 0 0
124 68 1 0 0 0 0
83 79 1 0 0 0 0
94 88 1 0 0 0 0
1125 1 0 0 0 0
1126 1 0 0 0 0
1127 1 0 0 0 0
4128 1 0 0 0 0
5129 1 6 0 0 0
6130 1 0 0 0 0
6131 1 0 0 0 0
8132 1 0 0 0 0
9133 1 0 0 0 0
11134 1 0 0 0 0
12135 1 0 0 0 0
13136 1 0 0 0 0
16137 1 0 0 0 0
17138 1 0 0 0 0
17139 1 0 0 0 0
20140 1 0 0 0 0
21141 1 0 0 0 0
21142 1 0 0 0 0
24143 1 0 0 0 0
25144 1 1 0 0 0
28145 1 0 0 0 0
29146 1 1 0 0 0
30147 1 0 0 0 0
30148 1 0 0 0 0
32149 1 0 0 0 0
33150 1 0 0 0 0
34151 1 0 0 0 0
35152 1 0 0 0 0
36153 1 0 0 0 0
39154 1 0 0 0 0
40155 1 1 0 0 0
41156 1 0 0 0 0
41157 1 0 0 0 0
42158 1 0 0 0 0
42159 1 0 0 0 0
43160 1 0 0 0 0
43161 1 0 0 0 0
44162 1 0 0 0 0
44163 1 0 0 0 0
45164 1 0 0 0 0
48165 1 0 0 0 0
48166 1 0 0 0 0
49167 1 6 0 0 0
52168 1 0 0 0 0
53169 1 1 0 0 0
54170 1 0 0 0 0
54171 1 0 0 0 0
56172 1 0 0 0 0
57173 1 0 0 0 0
59174 1 0 0 0 0
60175 1 0 0 0 0
61176 1 0 0 0 0
64177 1 0 0 0 0
65178 1 0 0 0 0
68179 1 1 0 0 0
69180 1 0 0 0 0
69181 1 0 0 0 0
70182 1 0 0 0 0
70183 1 0 0 0 0
74184 1 0 0 0 0
74185 1 0 0 0 0
75186 1 6 0 0 0
76187 1 0 0 0 0
79188 1 6 0 0 0
80189 1 0 0 0 0
80190 1 0 0 0 0
81191 1 0 0 0 0
81192 1 0 0 0 0
82193 1 0 0 0 0
82194 1 0 0 0 0
86195 1 1 0 0 0
87196 1 0 0 0 0
87197 1 0 0 0 0
89198 1 0 0 0 0
90199 1 0 0 0 0
92200 1 0 0 0 0
93201 1 0 0 0 0
94202 1 0 0 0 0
95203 1 0 0 0 0
100204 1 0 0 0 0
101205 1 1 0 0 0
102206 1 0 0 0 0
102207 1 0 0 0 0
106208 1 6 0 0 0
107209 1 0 0 0 0
107210 1 0 0 0 0
107211 1 0 0 0 0
110212 1 0 0 0 0
111213 1 1 0 0 0
112214 1 0 0 0 0
112215 1 0 0 0 0
114216 1 0 0 0 0
115217 1 0 0 0 0
117218 1 0 0 0 0
118219 1 0 0 0 0
119220 1 0 0 0 0
120221 1 0 0 0 0
124222 1 0 0 0 0
M END
> <DATABASE_ID>
NP0009099
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([H])C(=O)[C@]2([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]3([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]4([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C5=C([H])C([H])=C(O[H])C([H])=C5[H])[C@@]([H])(OC(=O)C3([H])[H])C([H])([H])[H])C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C1([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])([H])C4([H])[H])C([H])([H])OC(=O)C([H])([H])C2([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
> <INCHI_IDENTIFIER>
InChI=1S/C84H98N16O24/c1-44-72(99-69(107)42-87-68(106)41-88-73(110)58(89-45(2)101)34-47-17-23-51(102)24-18-47)82(119)95-59(33-46-11-4-3-5-12-46)76(113)90-56-15-8-9-31-85-67(105)38-61(78(115)97-64(84(121)122)36-49-21-27-53(104)28-22-49)93-75(112)57-29-30-70(108)123-43-65(98-81(118)66-16-10-32-100(66)83(120)63(96-74(56)111)35-48-19-25-52(103)26-20-48)80(117)94-62(39-71(109)124-44)79(116)92-60(77(114)91-57)37-50-40-86-55-14-7-6-13-54(50)55/h3-7,11-14,17-28,40,44,56-66,72,86,102-104H,8-10,15-16,29-39,41-43H2,1-2H3,(H,85,105)(H,87,106)(H,88,110)(H,89,101)(H,90,113)(H,91,114)(H,92,116)(H,93,112)(H,94,117)(H,95,119)(H,96,111)(H,97,115)(H,98,118)(H,99,107)(H,121,122)/t44-,56-,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-/m0/s1
> <INCHI_KEY>
WLHHUMSPNLZREI-WLNUAIIISA-N
> <FORMULA>
C84H98N16O24
> <MOLECULAR_WEIGHT>
1715.796
> <EXACT_MASS>
1714.6939881
> <JCHEM_ACCEPTOR_COUNT>
22
> <JCHEM_ATOM_COUNT>
222
> <JCHEM_AVERAGE_POLARIZABILITY>
174.90126747121917
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
19
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S)-2-{[(1S,4S,10S,13S,19R,22S,25S,29S,30S,33S,43S)-33-benzyl-30-(2-{2-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-4-[(4-hydroxyphenyl)methyl]-22-[(1H-indol-3-yl)methyl]-29-methyl-2,5,11,16,21,24,27,31,34,41,45,47-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,44,46-decaazatetracyclo[17.16.10.2^{13,25}.0^{6,10}]heptatetracontan-43-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid
> <ALOGPS_LOGP>
1.43
> <JCHEM_LOGP>
-3.204562272999997
> <ALOGPS_LOGS>
-3.89
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
10
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
9.004830025822343
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.556265728830468
> <JCHEM_PKA_STRONGEST_BASIC>
-5.958331586613775
> <JCHEM_POLAR_SURFACE_AREA>
594.0899999999999
> <JCHEM_REFRACTIVITY>
431.12810000000013
> <JCHEM_ROTATABLE_BOND_COUNT>
20
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
2.20e-01 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-{[(1S,4S,10S,13S,19R,22S,25S,29S,30S,33S,43S)-33-benzyl-30-(2-{2-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-2,5,11,16,21,24,27,31,34,41,45,47-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,44,46-decaazatetracyclo[17.16.10.2^{13,25}.0^{6,10}]heptatetracontan-43-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0009099 (Microviridin L)
RDKit 3D
222231 0 0 0 0 0 0 0 0999 V2000
14.2843 5.3357 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0727 3.9090 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0021 3.1982 -0.6423 O 0 0 0 0 0 0 0 0 0 0 0 0
12.8129 3.3046 0.0723 N 0 0 0 0 0 0 0 0 0 0 0 0
12.5669 1.9039 -0.1450 C 0 0 1 0 0 0 0 0 0 0 0 0
12.0838 1.2336 1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1964 1.4659 2.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2082 0.5205 2.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2369 0.7505 3.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2931 1.8790 3.8688 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3725 2.0284 4.7283 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2683 2.7822 3.7886 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2209 2.5614 2.9028 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5497 1.7305 -1.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9803 2.7098 -1.7578 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2234 0.3837 -1.5897 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2438 0.1071 -2.6072 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9171 0.5668 -2.1819 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9389 0.4870 -3.0111 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6823 1.0894 -0.8917 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3344 1.5346 -0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3302 0.4144 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7986 -0.7216 -0.9741 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9917 0.7659 -0.5800 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8063 -0.0686 -0.6672 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1096 -1.4948 -1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6204 -1.6230 -2.1883 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9001 -2.6320 -0.2377 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9562 -2.8706 0.8329 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5875 -2.4352 2.1062 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8156 -2.5705 3.3481 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0280 -1.5507 3.8554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3209 -1.6262 5.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3712 -2.7900 5.7737 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1448 -3.8203 5.2957 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8605 -3.7370 4.1125 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5913 -2.4249 0.5454 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4341 -1.8440 -0.6092 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4442 -2.5485 1.3540 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3064 -3.7191 1.6955 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1323 -3.4553 2.9661 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7850 -2.1307 3.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2749 -2.1900 3.4039 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7693 -0.7631 3.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2077 -0.6962 3.0166 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.8823 0.3569 2.3653 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0906 0.1926 2.0515 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2892 1.6719 2.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3270 2.7761 2.0619 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2870 3.3972 3.4476 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4134 4.2752 3.7249 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2475 2.9585 4.3828 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2904 3.4614 5.7416 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.1606 4.7292 5.8316 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5565 4.4754 5.4022 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9044 4.6137 4.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2088 4.4004 3.6626 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1835 4.0520 4.5616 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.5090 3.8399 4.1336 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.8610 3.9133 5.8729 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5455 4.1271 6.2835 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7545 2.5223 6.7439 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1197 1.3232 6.4491 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8332 2.8453 8.0704 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1184 3.8109 1.0761 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2857 3.8420 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3675 4.7726 -0.0558 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2385 2.9971 -1.2338 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4637 2.1266 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1667 1.1366 -2.4532 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6973 -0.2087 -2.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9604 -0.3305 -2.0555 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8323 -1.2808 -2.2214 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0464 -1.6261 -3.3206 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6388 -2.1025 -2.9144 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8127 -3.3748 -2.1986 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4438 -4.6415 -2.6257 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9402 -5.6914 -2.0547 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5168 -4.9036 -3.6991 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8828 -6.1386 -4.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5779 -6.4463 -5.2112 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6445 -5.3088 -4.8251 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1296 -5.1207 -3.4163 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4327 -5.1300 -2.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5995 -4.3510 -2.1740 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6683 -5.8746 -0.9586 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9967 -7.3296 -1.1878 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2554 -8.1110 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5535 -8.3019 0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8214 -9.0158 1.6336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7957 -9.5722 2.3882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0698 -10.2847 3.5455 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5223 -9.3834 1.9375 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2502 -8.6797 0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5388 -5.2362 -0.0064 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3498 -4.0453 0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1415 -3.0606 0.4416 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0483 -1.1412 -1.9405 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8552 -0.9283 -0.9450 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8253 -0.4928 -1.9637 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3571 0.6369 -2.7213 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1763 0.6174 -2.8944 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7933 1.5545 -1.9052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1233 2.5570 -1.5465 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0408 1.3907 -1.3642 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9951 0.4976 -1.8392 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9279 1.2869 -2.7751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9952 0.9328 -3.9852 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0613 0.0452 -4.8743 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5826 2.1909 -4.3438 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9386 3.2246 -3.4051 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0821 4.4265 -3.5987 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1727 5.0558 -4.9323 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2940 4.7855 -5.9854 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6769 5.5144 -7.0379 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7542 6.2434 -6.7295 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5272 7.1565 -7.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6071 7.8154 -6.8836 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9052 7.5252 -5.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1702 6.6304 -4.8539 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0892 5.9716 -5.3984 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3718 3.5625 -3.5286 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8782 3.5785 -4.6992 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1903 3.8649 -2.4105 N 0 0 0 0 0 0 0 0 0 0 0 0
13.7810 5.6930 0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8912 5.9152 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3758 5.4987 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0081 3.8912 0.4551 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5023 1.4310 -0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1882 1.7242 1.5218 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9359 0.1677 0.9893 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1880 -0.3660 1.5232 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0518 0.0532 3.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3033 1.6369 5.6515 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2631 3.6608 4.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4397 3.3185 2.8927 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7191 -0.3864 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5316 0.6102 -3.5689 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2359 -0.9994 -2.7929 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4528 1.1281 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3323 1.8031 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0784 2.4073 -1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7481 1.7852 -0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2403 -0.0158 0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5517 -3.4600 -0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8604 -4.0039 0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9287 -1.3843 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5121 -3.0954 2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0012 -0.6383 3.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7195 -0.7849 5.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7993 -2.8206 6.6840 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1592 -4.7238 5.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4457 -4.5842 3.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0900 -1.6159 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3526 -4.5997 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4679 -3.6898 3.8211 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8827 -4.3072 2.9837 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3203 -1.5183 3.8341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7892 -1.5342 2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8106 -2.9266 2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3205 -2.4531 4.4795 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4989 -0.2048 4.0772 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2609 -0.3507 2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7346 -1.5102 3.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5215 1.8927 2.7791 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8790 1.5994 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3143 2.3205 1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9506 2.2561 4.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2371 3.7941 6.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6638 5.5163 5.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1729 5.0132 6.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1280 4.8873 3.3343 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5040 4.5056 2.6075 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.7687 2.9007 3.8505 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6510 3.6284 6.5605 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3439 4.0050 7.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6762 2.8407 8.6030 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7001 4.7158 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3067 2.3883 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7433 1.5717 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3637 2.7524 -1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0552 1.0626 -2.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6047 1.5386 -3.3949 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5247 -2.5556 -3.7592 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0113 -0.9100 -4.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0743 -2.2285 -3.8381 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2812 -3.2890 -1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5202 -4.0740 -4.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2042 -6.9114 -3.8075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6858 -5.8498 -5.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7555 -6.4996 -6.3005 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2027 -7.4147 -4.7954 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9422 -4.4396 -5.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4044 -5.5274 -4.8929 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3246 -5.9494 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1061 -7.7612 -1.7136 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8194 -7.3974 -1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3968 -7.9047 -0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8421 -9.1476 1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2238 -11.2804 3.5042 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2791 -9.8445 2.5506 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7625 -8.5426 0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4484 -5.7729 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0332 -0.8548 -1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5058 1.5458 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4277 1.0059 -3.9062 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5821 -0.3860 -2.7981 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5965 -0.3103 -2.4939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7150 0.6376 -3.1969 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3262 2.1969 -2.2913 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3224 1.6382 -3.6298 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7626 2.3695 -5.3606 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7430 2.8924 -2.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0012 4.2196 -3.4033 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4540 5.2193 -2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4397 4.0922 -5.9348 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2000 5.5149 -7.9792 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2534 7.3573 -8.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1678 8.5228 -7.4858 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7606 8.0461 -5.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4022 6.4031 -3.8277 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7687 4.7307 -2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
10 12 1 0
12 13 2 0
5 14 1 0
14 15 2 0
14 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 0
22 24 1 0
24 25 1 0
25 26 1 0
26 27 2 0
26 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
31 32 2 0
32 33 1 0
33 34 2 0
34 35 1 0
35 36 2 0
29 37 1 0
37 38 2 0
37 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
46 47 2 0
46 48 1 0
48 49 1 0
49 50 1 0
50 51 2 0
50 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
55 56 2 0
56 57 1 0
57 58 2 0
58 59 1 0
58 60 1 0
60 61 2 0
53 62 1 0
62 63 2 0
62 64 1 0
49 65 1 0
65 66 1 0
66 67 2 0
66 68 1 0
68 69 1 0
69 70 1 0
70 71 1 0
71 72 2 0
71 73 1 0
73 74 1 0
74 75 1 0
75 76 1 0
76 77 1 0
77 78 2 0
77 79 1 0
79 80 1 0
80 81 1 0
81 82 1 0
82 83 1 0
83 84 1 0
84 85 2 0
84 86 1 0
86 87 1 0
87 88 1 0
88 89 2 0
89 90 1 0
90 91 2 0
91 92 1 0
91 93 1 0
93 94 2 0
86 95 1 0
95 96 1 0
96 97 2 0
75 98 1 0
98 99 2 0
98100 1 0
100101 1 0
101102 1 0
102103 1 0
103104 2 0
103105 1 0
105106 1 0
106107 1 0
101108 1 0
108109 2 0
108110 1 0
110111 1 0
111112 1 0
112113 1 0
113114 2 0
114115 1 0
115116 1 0
116117 2 0
117118 1 0
118119 2 0
119120 1 0
120121 2 0
111122 1 0
122123 2 0
122124 1 0
13 7 1 0
106 25 1 0
121113 1 0
36 31 1 0
96 40 1 0
121116 1 0
61 55 1 0
124 68 1 0
83 79 1 0
94 88 1 0
1125 1 0
1126 1 0
1127 1 0
4128 1 0
5129 1 6
6130 1 0
6131 1 0
8132 1 0
9133 1 0
11134 1 0
12135 1 0
13136 1 0
16137 1 0
17138 1 0
17139 1 0
20140 1 0
21141 1 0
21142 1 0
24143 1 0
25144 1 1
28145 1 0
29146 1 1
30147 1 0
30148 1 0
32149 1 0
33150 1 0
34151 1 0
35152 1 0
36153 1 0
39154 1 0
40155 1 1
41156 1 0
41157 1 0
42158 1 0
42159 1 0
43160 1 0
43161 1 0
44162 1 0
44163 1 0
45164 1 0
48165 1 0
48166 1 0
49167 1 6
52168 1 0
53169 1 1
54170 1 0
54171 1 0
56172 1 0
57173 1 0
59174 1 0
60175 1 0
61176 1 0
64177 1 0
65178 1 0
68179 1 1
69180 1 0
69181 1 0
70182 1 0
70183 1 0
74184 1 0
74185 1 0
75186 1 6
76187 1 0
79188 1 6
80189 1 0
80190 1 0
81191 1 0
81192 1 0
82193 1 0
82194 1 0
86195 1 1
87196 1 0
87197 1 0
89198 1 0
90199 1 0
92200 1 0
93201 1 0
94202 1 0
95203 1 0
100204 1 0
101205 1 1
102206 1 0
102207 1 0
106208 1 6
107209 1 0
107210 1 0
107211 1 0
110212 1 0
111213 1 1
112214 1 0
112215 1 0
114216 1 0
115217 1 0
117218 1 0
118219 1 0
119220 1 0
120221 1 0
124222 1 0
M END
PDB for NP0009099 (Microviridin L)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 14.284 5.336 0.053 0.00 0.00 C+0 HETATM 2 C UNK 0 14.073 3.909 -0.192 0.00 0.00 C+0 HETATM 3 O UNK 0 15.002 3.198 -0.642 0.00 0.00 O+0 HETATM 4 N UNK 0 12.813 3.305 0.072 0.00 0.00 N+0 HETATM 5 C UNK 0 12.567 1.904 -0.145 0.00 0.00 C+0 HETATM 6 C UNK 0 12.084 1.234 1.146 0.00 0.00 C+0 HETATM 7 C UNK 0 13.196 1.466 2.116 0.00 0.00 C+0 HETATM 8 C UNK 0 14.208 0.521 2.157 0.00 0.00 C+0 HETATM 9 C UNK 0 15.237 0.751 3.037 0.00 0.00 C+0 HETATM 10 C UNK 0 15.293 1.879 3.869 0.00 0.00 C+0 HETATM 11 O UNK 0 16.372 2.028 4.728 0.00 0.00 O+0 HETATM 12 C UNK 0 14.268 2.782 3.789 0.00 0.00 C+0 HETATM 13 C UNK 0 13.221 2.561 2.903 0.00 0.00 C+0 HETATM 14 C UNK 0 11.550 1.730 -1.202 0.00 0.00 C+0 HETATM 15 O UNK 0 10.980 2.710 -1.758 0.00 0.00 O+0 HETATM 16 N UNK 0 11.223 0.384 -1.590 0.00 0.00 N+0 HETATM 17 C UNK 0 10.244 0.107 -2.607 0.00 0.00 C+0 HETATM 18 C UNK 0 8.917 0.567 -2.182 0.00 0.00 C+0 HETATM 19 O UNK 0 7.939 0.487 -3.011 0.00 0.00 O+0 HETATM 20 N UNK 0 8.682 1.089 -0.892 0.00 0.00 N+0 HETATM 21 C UNK 0 7.334 1.535 -0.590 0.00 0.00 C+0 HETATM 22 C UNK 0 6.330 0.414 -0.729 0.00 0.00 C+0 HETATM 23 O UNK 0 6.799 -0.722 -0.974 0.00 0.00 O+0 HETATM 24 N UNK 0 4.992 0.766 -0.580 0.00 0.00 N+0 HETATM 25 C UNK 0 3.806 -0.069 -0.667 0.00 0.00 C+0 HETATM 26 C UNK 0 4.110 -1.495 -1.018 0.00 0.00 C+0 HETATM 27 O UNK 0 4.620 -1.623 -2.188 0.00 0.00 O+0 HETATM 28 N UNK 0 3.900 -2.632 -0.238 0.00 0.00 N+0 HETATM 29 C UNK 0 2.956 -2.871 0.833 0.00 0.00 C+0 HETATM 30 C UNK 0 3.587 -2.435 2.106 0.00 0.00 C+0 HETATM 31 C UNK 0 2.816 -2.571 3.348 0.00 0.00 C+0 HETATM 32 C UNK 0 2.028 -1.551 3.855 0.00 0.00 C+0 HETATM 33 C UNK 0 1.321 -1.626 5.020 0.00 0.00 C+0 HETATM 34 C UNK 0 1.371 -2.790 5.774 0.00 0.00 C+0 HETATM 35 C UNK 0 2.145 -3.820 5.296 0.00 0.00 C+0 HETATM 36 C UNK 0 2.861 -3.737 4.112 0.00 0.00 C+0 HETATM 37 C UNK 0 1.591 -2.425 0.545 0.00 0.00 C+0 HETATM 38 O UNK 0 1.434 -1.844 -0.609 0.00 0.00 O+0 HETATM 39 N UNK 0 0.444 -2.549 1.354 0.00 0.00 N+0 HETATM 40 C UNK 0 -0.306 -3.719 1.696 0.00 0.00 C+0 HETATM 41 C UNK 0 -1.132 -3.455 2.966 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.785 -2.131 3.011 0.00 0.00 C+0 HETATM 43 C UNK 0 -3.275 -2.190 3.404 0.00 0.00 C+0 HETATM 44 C UNK 0 -3.769 -0.763 3.156 0.00 0.00 C+0 HETATM 45 N UNK 0 -5.208 -0.696 3.017 0.00 0.00 N+0 HETATM 46 C UNK 0 -5.882 0.357 2.365 0.00 0.00 C+0 HETATM 47 O UNK 0 -7.091 0.193 2.051 0.00 0.00 O+0 HETATM 48 C UNK 0 -5.289 1.672 2.007 0.00 0.00 C+0 HETATM 49 C UNK 0 -6.327 2.776 2.062 0.00 0.00 C+0 HETATM 50 C UNK 0 -6.287 3.397 3.448 0.00 0.00 C+0 HETATM 51 O UNK 0 -5.413 4.275 3.725 0.00 0.00 O+0 HETATM 52 N UNK 0 -7.247 2.958 4.383 0.00 0.00 N+0 HETATM 53 C UNK 0 -7.290 3.461 5.742 0.00 0.00 C+0 HETATM 54 C UNK 0 -8.161 4.729 5.832 0.00 0.00 C+0 HETATM 55 C UNK 0 -9.556 4.475 5.402 0.00 0.00 C+0 HETATM 56 C UNK 0 -9.904 4.614 4.059 0.00 0.00 C+0 HETATM 57 C UNK 0 -11.209 4.400 3.663 0.00 0.00 C+0 HETATM 58 C UNK 0 -12.184 4.052 4.562 0.00 0.00 C+0 HETATM 59 O UNK 0 -13.509 3.840 4.134 0.00 0.00 O+0 HETATM 60 C UNK 0 -11.861 3.913 5.873 0.00 0.00 C+0 HETATM 61 C UNK 0 -10.546 4.127 6.284 0.00 0.00 C+0 HETATM 62 C UNK 0 -7.755 2.522 6.744 0.00 0.00 C+0 HETATM 63 O UNK 0 -8.120 1.323 6.449 0.00 0.00 O+0 HETATM 64 O UNK 0 -7.833 2.845 8.070 0.00 0.00 O+0 HETATM 65 N UNK 0 -6.118 3.811 1.076 0.00 0.00 N+0 HETATM 66 C UNK 0 -5.286 3.842 -0.033 0.00 0.00 C+0 HETATM 67 O UNK 0 -4.367 4.773 -0.056 0.00 0.00 O+0 HETATM 68 C UNK 0 -5.239 2.997 -1.234 0.00 0.00 C+0 HETATM 69 C UNK 0 -6.464 2.127 -1.342 0.00 0.00 C+0 HETATM 70 C UNK 0 -6.167 1.137 -2.453 0.00 0.00 C+0 HETATM 71 C UNK 0 -6.697 -0.209 -2.232 0.00 0.00 C+0 HETATM 72 O UNK 0 -7.960 -0.331 -2.055 0.00 0.00 O+0 HETATM 73 O UNK 0 -5.832 -1.281 -2.221 0.00 0.00 O+0 HETATM 74 C UNK 0 -5.046 -1.626 -3.321 0.00 0.00 C+0 HETATM 75 C UNK 0 -3.639 -2.103 -2.914 0.00 0.00 C+0 HETATM 76 N UNK 0 -3.813 -3.375 -2.199 0.00 0.00 N+0 HETATM 77 C UNK 0 -3.444 -4.641 -2.626 0.00 0.00 C+0 HETATM 78 O UNK 0 -3.940 -5.691 -2.055 0.00 0.00 O+0 HETATM 79 C UNK 0 -2.517 -4.904 -3.699 0.00 0.00 C+0 HETATM 80 C UNK 0 -2.883 -6.139 -4.512 0.00 0.00 C+0 HETATM 81 C UNK 0 -1.578 -6.446 -5.211 0.00 0.00 C+0 HETATM 82 C UNK 0 -0.645 -5.309 -4.825 0.00 0.00 C+0 HETATM 83 N UNK 0 -1.130 -5.121 -3.416 0.00 0.00 N+0 HETATM 84 C UNK 0 -0.433 -5.130 -2.204 0.00 0.00 C+0 HETATM 85 O UNK 0 0.600 -4.351 -2.174 0.00 0.00 O+0 HETATM 86 C UNK 0 -0.668 -5.875 -0.959 0.00 0.00 C+0 HETATM 87 C UNK 0 -0.997 -7.330 -1.188 0.00 0.00 C+0 HETATM 88 C UNK 0 -1.255 -8.111 0.023 0.00 0.00 C+0 HETATM 89 C UNK 0 -2.554 -8.302 0.476 0.00 0.00 C+0 HETATM 90 C UNK 0 -2.821 -9.016 1.634 0.00 0.00 C+0 HETATM 91 C UNK 0 -1.796 -9.572 2.388 0.00 0.00 C+0 HETATM 92 O UNK 0 -2.070 -10.285 3.546 0.00 0.00 O+0 HETATM 93 C UNK 0 -0.522 -9.383 1.938 0.00 0.00 C+0 HETATM 94 C UNK 0 -0.250 -8.680 0.798 0.00 0.00 C+0 HETATM 95 N UNK 0 -1.539 -5.236 -0.006 0.00 0.00 N+0 HETATM 96 C UNK 0 -1.350 -4.045 0.674 0.00 0.00 C+0 HETATM 97 O UNK 0 -2.142 -3.061 0.442 0.00 0.00 O+0 HETATM 98 C UNK 0 -3.048 -1.141 -1.940 0.00 0.00 C+0 HETATM 99 O UNK 0 -3.855 -0.928 -0.945 0.00 0.00 O+0 HETATM 100 N UNK 0 -1.825 -0.493 -1.964 0.00 0.00 N+0 HETATM 101 C UNK 0 -1.357 0.637 -2.721 0.00 0.00 C+0 HETATM 102 C UNK 0 0.176 0.617 -2.894 0.00 0.00 C+0 HETATM 103 C UNK 0 0.793 1.555 -1.905 0.00 0.00 C+0 HETATM 104 O UNK 0 0.123 2.557 -1.547 0.00 0.00 O+0 HETATM 105 O UNK 0 2.041 1.391 -1.364 0.00 0.00 O+0 HETATM 106 C UNK 0 2.995 0.498 -1.839 0.00 0.00 C+0 HETATM 107 C UNK 0 3.928 1.287 -2.775 0.00 0.00 C+0 HETATM 108 C UNK 0 -1.995 0.933 -3.985 0.00 0.00 C+0 HETATM 109 O UNK 0 -2.061 0.045 -4.874 0.00 0.00 O+0 HETATM 110 N UNK 0 -2.583 2.191 -4.344 0.00 0.00 N+0 HETATM 111 C UNK 0 -2.939 3.225 -3.405 0.00 0.00 C+0 HETATM 112 C UNK 0 -2.082 4.426 -3.599 0.00 0.00 C+0 HETATM 113 C UNK 0 -2.173 5.056 -4.932 0.00 0.00 C+0 HETATM 114 C UNK 0 -1.294 4.785 -5.985 0.00 0.00 C+0 HETATM 115 N UNK 0 -1.677 5.514 -7.038 0.00 0.00 N+0 HETATM 116 C UNK 0 -2.754 6.243 -6.729 0.00 0.00 C+0 HETATM 117 C UNK 0 -3.527 7.157 -7.428 0.00 0.00 C+0 HETATM 118 C UNK 0 -4.607 7.815 -6.884 0.00 0.00 C+0 HETATM 119 C UNK 0 -4.905 7.525 -5.578 0.00 0.00 C+0 HETATM 120 C UNK 0 -4.170 6.630 -4.854 0.00 0.00 C+0 HETATM 121 C UNK 0 -3.089 5.972 -5.398 0.00 0.00 C+0 HETATM 122 C UNK 0 -4.372 3.563 -3.529 0.00 0.00 C+0 HETATM 123 O UNK 0 -4.878 3.579 -4.699 0.00 0.00 O+0 HETATM 124 N UNK 0 -5.190 3.865 -2.410 0.00 0.00 N+0 HETATM 125 H UNK 0 13.781 5.693 0.983 0.00 0.00 H+0 HETATM 126 H UNK 0 13.891 5.915 -0.808 0.00 0.00 H+0 HETATM 127 H UNK 0 15.376 5.499 0.189 0.00 0.00 H+0 HETATM 128 H UNK 0 12.008 3.891 0.455 0.00 0.00 H+0 HETATM 129 H UNK 0 13.502 1.431 -0.515 0.00 0.00 H+0 HETATM 130 H UNK 0 11.188 1.724 1.522 0.00 0.00 H+0 HETATM 131 H UNK 0 11.936 0.168 0.989 0.00 0.00 H+0 HETATM 132 H UNK 0 14.188 -0.366 1.523 0.00 0.00 H+0 HETATM 133 H UNK 0 16.052 0.053 3.118 0.00 0.00 H+0 HETATM 134 H UNK 0 16.303 1.637 5.652 0.00 0.00 H+0 HETATM 135 H UNK 0 14.263 3.661 4.408 0.00 0.00 H+0 HETATM 136 H UNK 0 12.440 3.318 2.893 0.00 0.00 H+0 HETATM 137 H UNK 0 11.719 -0.386 -1.106 0.00 0.00 H+0 HETATM 138 H UNK 0 10.532 0.610 -3.569 0.00 0.00 H+0 HETATM 139 H UNK 0 10.236 -0.999 -2.793 0.00 0.00 H+0 HETATM 140 H UNK 0 9.453 1.128 -0.200 0.00 0.00 H+0 HETATM 141 H UNK 0 7.332 1.803 0.501 0.00 0.00 H+0 HETATM 142 H UNK 0 7.078 2.407 -1.193 0.00 0.00 H+0 HETATM 143 H UNK 0 4.748 1.785 -0.367 0.00 0.00 H+0 HETATM 144 H UNK 0 3.240 -0.016 0.251 0.00 0.00 H+0 HETATM 145 H UNK 0 4.552 -3.460 -0.478 0.00 0.00 H+0 HETATM 146 H UNK 0 2.860 -4.004 0.925 0.00 0.00 H+0 HETATM 147 H UNK 0 3.929 -1.384 2.011 0.00 0.00 H+0 HETATM 148 H UNK 0 4.512 -3.095 2.289 0.00 0.00 H+0 HETATM 149 H UNK 0 2.001 -0.638 3.247 0.00 0.00 H+0 HETATM 150 H UNK 0 0.720 -0.785 5.356 0.00 0.00 H+0 HETATM 151 H UNK 0 0.799 -2.821 6.684 0.00 0.00 H+0 HETATM 152 H UNK 0 2.159 -4.724 5.917 0.00 0.00 H+0 HETATM 153 H UNK 0 3.446 -4.584 3.789 0.00 0.00 H+0 HETATM 154 H UNK 0 0.090 -1.616 1.744 0.00 0.00 H+0 HETATM 155 H UNK 0 0.353 -4.600 1.913 0.00 0.00 H+0 HETATM 156 H UNK 0 -0.468 -3.690 3.821 0.00 0.00 H+0 HETATM 157 H UNK 0 -1.883 -4.307 2.984 0.00 0.00 H+0 HETATM 158 H UNK 0 -1.320 -1.518 3.834 0.00 0.00 H+0 HETATM 159 H UNK 0 -1.789 -1.534 2.083 0.00 0.00 H+0 HETATM 160 H UNK 0 -3.811 -2.927 2.812 0.00 0.00 H+0 HETATM 161 H UNK 0 -3.321 -2.453 4.479 0.00 0.00 H+0 HETATM 162 H UNK 0 -3.499 -0.205 4.077 0.00 0.00 H+0 HETATM 163 H UNK 0 -3.261 -0.351 2.251 0.00 0.00 H+0 HETATM 164 H UNK 0 -5.735 -1.510 3.452 0.00 0.00 H+0 HETATM 165 H UNK 0 -4.521 1.893 2.779 0.00 0.00 H+0 HETATM 166 H UNK 0 -4.879 1.599 1.001 0.00 0.00 H+0 HETATM 167 H UNK 0 -7.314 2.321 1.962 0.00 0.00 H+0 HETATM 168 H UNK 0 -7.951 2.256 4.101 0.00 0.00 H+0 HETATM 169 H UNK 0 -6.237 3.794 6.003 0.00 0.00 H+0 HETATM 170 H UNK 0 -7.664 5.516 5.229 0.00 0.00 H+0 HETATM 171 H UNK 0 -8.173 5.013 6.900 0.00 0.00 H+0 HETATM 172 H UNK 0 -9.128 4.887 3.334 0.00 0.00 H+0 HETATM 173 H UNK 0 -11.504 4.506 2.607 0.00 0.00 H+0 HETATM 174 H UNK 0 -13.769 2.901 3.850 0.00 0.00 H+0 HETATM 175 H UNK 0 -12.651 3.628 6.561 0.00 0.00 H+0 HETATM 176 H UNK 0 -10.344 4.005 7.348 0.00 0.00 H+0 HETATM 177 H UNK 0 -8.676 2.841 8.603 0.00 0.00 H+0 HETATM 178 H UNK 0 -6.700 4.716 1.232 0.00 0.00 H+0 HETATM 179 H UNK 0 -4.307 2.388 -1.260 0.00 0.00 H+0 HETATM 180 H UNK 0 -6.743 1.572 -0.457 0.00 0.00 H+0 HETATM 181 H UNK 0 -7.364 2.752 -1.618 0.00 0.00 H+0 HETATM 182 H UNK 0 -5.055 1.063 -2.523 0.00 0.00 H+0 HETATM 183 H UNK 0 -6.605 1.539 -3.395 0.00 0.00 H+0 HETATM 184 H UNK 0 -5.525 -2.556 -3.759 0.00 0.00 H+0 HETATM 185 H UNK 0 -5.011 -0.910 -4.137 0.00 0.00 H+0 HETATM 186 H UNK 0 -3.074 -2.228 -3.838 0.00 0.00 H+0 HETATM 187 H UNK 0 -4.281 -3.289 -1.244 0.00 0.00 H+0 HETATM 188 H UNK 0 -2.520 -4.074 -4.486 0.00 0.00 H+0 HETATM 189 H UNK 0 -3.204 -6.911 -3.808 0.00 0.00 H+0 HETATM 190 H UNK 0 -3.686 -5.850 -5.233 0.00 0.00 H+0 HETATM 191 H UNK 0 -1.756 -6.500 -6.301 0.00 0.00 H+0 HETATM 192 H UNK 0 -1.203 -7.415 -4.795 0.00 0.00 H+0 HETATM 193 H UNK 0 -0.942 -4.440 -5.419 0.00 0.00 H+0 HETATM 194 H UNK 0 0.404 -5.527 -4.893 0.00 0.00 H+0 HETATM 195 H UNK 0 0.325 -5.949 -0.363 0.00 0.00 H+0 HETATM 196 H UNK 0 -0.106 -7.761 -1.714 0.00 0.00 H+0 HETATM 197 H UNK 0 -1.819 -7.397 -1.937 0.00 0.00 H+0 HETATM 198 H UNK 0 -3.397 -7.905 -0.068 0.00 0.00 H+0 HETATM 199 H UNK 0 -3.842 -9.148 1.960 0.00 0.00 H+0 HETATM 200 H UNK 0 -2.224 -11.280 3.504 0.00 0.00 H+0 HETATM 201 H UNK 0 0.279 -9.845 2.551 0.00 0.00 H+0 HETATM 202 H UNK 0 0.763 -8.543 0.465 0.00 0.00 H+0 HETATM 203 H UNK 0 -2.448 -5.773 0.190 0.00 0.00 H+0 HETATM 204 H UNK 0 -1.033 -0.855 -1.302 0.00 0.00 H+0 HETATM 205 H UNK 0 -1.506 1.546 -2.064 0.00 0.00 H+0 HETATM 206 H UNK 0 0.428 1.006 -3.906 0.00 0.00 H+0 HETATM 207 H UNK 0 0.582 -0.386 -2.798 0.00 0.00 H+0 HETATM 208 H UNK 0 2.596 -0.310 -2.494 0.00 0.00 H+0 HETATM 209 H UNK 0 4.715 0.638 -3.197 0.00 0.00 H+0 HETATM 210 H UNK 0 4.326 2.197 -2.291 0.00 0.00 H+0 HETATM 211 H UNK 0 3.322 1.638 -3.630 0.00 0.00 H+0 HETATM 212 H UNK 0 -2.763 2.369 -5.361 0.00 0.00 H+0 HETATM 213 H UNK 0 -2.743 2.892 -2.342 0.00 0.00 H+0 HETATM 214 H UNK 0 -1.001 4.220 -3.403 0.00 0.00 H+0 HETATM 215 H UNK 0 -2.454 5.219 -2.873 0.00 0.00 H+0 HETATM 216 H UNK 0 -0.440 4.092 -5.935 0.00 0.00 H+0 HETATM 217 H UNK 0 -1.200 5.515 -7.979 0.00 0.00 H+0 HETATM 218 H UNK 0 -3.253 7.357 -8.466 0.00 0.00 H+0 HETATM 219 H UNK 0 -5.168 8.523 -7.486 0.00 0.00 H+0 HETATM 220 H UNK 0 -5.761 8.046 -5.148 0.00 0.00 H+0 HETATM 221 H UNK 0 -4.402 6.403 -3.828 0.00 0.00 H+0 HETATM 222 H UNK 0 -5.769 4.731 -2.448 0.00 0.00 H+0 CONECT 1 2 125 126 127 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 128 CONECT 5 4 6 14 129 CONECT 6 5 7 130 131 CONECT 7 6 8 13 CONECT 8 7 9 132 CONECT 9 8 10 133 CONECT 10 9 11 12 CONECT 11 10 134 CONECT 12 10 13 135 CONECT 13 12 7 136 CONECT 14 5 15 16 CONECT 15 14 CONECT 16 14 17 137 CONECT 17 16 18 138 139 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 140 CONECT 21 20 22 141 142 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 143 CONECT 25 24 26 106 144 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 145 CONECT 29 28 30 37 146 CONECT 30 29 31 147 148 CONECT 31 30 32 36 CONECT 32 31 33 149 CONECT 33 32 34 150 CONECT 34 33 35 151 CONECT 35 34 36 152 CONECT 36 35 31 153 CONECT 37 29 38 39 CONECT 38 37 CONECT 39 37 40 154 CONECT 40 39 41 96 155 CONECT 41 40 42 156 157 CONECT 42 41 43 158 159 CONECT 43 42 44 160 161 CONECT 44 43 45 162 163 CONECT 45 44 46 164 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 165 166 CONECT 49 48 50 65 167 CONECT 50 49 51 52 CONECT 51 50 CONECT 52 50 53 168 CONECT 53 52 54 62 169 CONECT 54 53 55 170 171 CONECT 55 54 56 61 CONECT 56 55 57 172 CONECT 57 56 58 173 CONECT 58 57 59 60 CONECT 59 58 174 CONECT 60 58 61 175 CONECT 61 60 55 176 CONECT 62 53 63 64 CONECT 63 62 CONECT 64 62 177 CONECT 65 49 66 178 CONECT 66 65 67 68 CONECT 67 66 CONECT 68 66 69 124 179 CONECT 69 68 70 180 181 CONECT 70 69 71 182 183 CONECT 71 70 72 73 CONECT 72 71 CONECT 73 71 74 CONECT 74 73 75 184 185 CONECT 75 74 76 98 186 CONECT 76 75 77 187 CONECT 77 76 78 79 CONECT 78 77 CONECT 79 77 80 83 188 CONECT 80 79 81 189 190 CONECT 81 80 82 191 192 CONECT 82 81 83 193 194 CONECT 83 82 84 79 CONECT 84 83 85 86 CONECT 85 84 CONECT 86 84 87 95 195 CONECT 87 86 88 196 197 CONECT 88 87 89 94 CONECT 89 88 90 198 CONECT 90 89 91 199 CONECT 91 90 92 93 CONECT 92 91 200 CONECT 93 91 94 201 CONECT 94 93 88 202 CONECT 95 86 96 203 CONECT 96 95 97 40 CONECT 97 96 CONECT 98 75 99 100 CONECT 99 98 CONECT 100 98 101 204 CONECT 101 100 102 108 205 CONECT 102 101 103 206 207 CONECT 103 102 104 105 CONECT 104 103 CONECT 105 103 106 CONECT 106 105 107 25 208 CONECT 107 106 209 210 211 CONECT 108 101 109 110 CONECT 109 108 CONECT 110 108 111 212 CONECT 111 110 112 122 213 CONECT 112 111 113 214 215 CONECT 113 112 114 121 CONECT 114 113 115 216 CONECT 115 114 116 217 CONECT 116 115 117 121 CONECT 117 116 118 218 CONECT 118 117 119 219 CONECT 119 118 120 220 CONECT 120 119 121 221 CONECT 121 120 113 116 CONECT 122 111 123 124 CONECT 123 122 CONECT 124 122 68 222 CONECT 125 1 CONECT 126 1 CONECT 127 1 CONECT 128 4 CONECT 129 5 CONECT 130 6 CONECT 131 6 CONECT 132 8 CONECT 133 9 CONECT 134 11 CONECT 135 12 CONECT 136 13 CONECT 137 16 CONECT 138 17 CONECT 139 17 CONECT 140 20 CONECT 141 21 CONECT 142 21 CONECT 143 24 CONECT 144 25 CONECT 145 28 CONECT 146 29 CONECT 147 30 CONECT 148 30 CONECT 149 32 CONECT 150 33 CONECT 151 34 CONECT 152 35 CONECT 153 36 CONECT 154 39 CONECT 155 40 CONECT 156 41 CONECT 157 41 CONECT 158 42 CONECT 159 42 CONECT 160 43 CONECT 161 43 CONECT 162 44 CONECT 163 44 CONECT 164 45 CONECT 165 48 CONECT 166 48 CONECT 167 49 CONECT 168 52 CONECT 169 53 CONECT 170 54 CONECT 171 54 CONECT 172 56 CONECT 173 57 CONECT 174 59 CONECT 175 60 CONECT 176 61 CONECT 177 64 CONECT 178 65 CONECT 179 68 CONECT 180 69 CONECT 181 69 CONECT 182 70 CONECT 183 70 CONECT 184 74 CONECT 185 74 CONECT 186 75 CONECT 187 76 CONECT 188 79 CONECT 189 80 CONECT 190 80 CONECT 191 81 CONECT 192 81 CONECT 193 82 CONECT 194 82 CONECT 195 86 CONECT 196 87 CONECT 197 87 CONECT 198 89 CONECT 199 90 CONECT 200 92 CONECT 201 93 CONECT 202 94 CONECT 203 95 CONECT 204 100 CONECT 205 101 CONECT 206 102 CONECT 207 102 CONECT 208 106 CONECT 209 107 CONECT 210 107 CONECT 211 107 CONECT 212 110 CONECT 213 111 CONECT 214 112 CONECT 215 112 CONECT 216 114 CONECT 217 115 CONECT 218 117 CONECT 219 118 CONECT 220 119 CONECT 221 120 CONECT 222 124 MASTER 0 0 0 0 0 0 0 0 222 0 462 0 END SMILES for NP0009099 (Microviridin L)[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([H])C(=O)[C@]2([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]3([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]4([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C5=C([H])C([H])=C(O[H])C([H])=C5[H])[C@@]([H])(OC(=O)C3([H])[H])C([H])([H])[H])C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C1([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])([H])C4([H])[H])C([H])([H])OC(=O)C([H])([H])C2([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H] INCHI for NP0009099 (Microviridin L)InChI=1S/C84H98N16O24/c1-44-72(99-69(107)42-87-68(106)41-88-73(110)58(89-45(2)101)34-47-17-23-51(102)24-18-47)82(119)95-59(33-46-11-4-3-5-12-46)76(113)90-56-15-8-9-31-85-67(105)38-61(78(115)97-64(84(121)122)36-49-21-27-53(104)28-22-49)93-75(112)57-29-30-70(108)123-43-65(98-81(118)66-16-10-32-100(66)83(120)63(96-74(56)111)35-48-19-25-52(103)26-20-48)80(117)94-62(39-71(109)124-44)79(116)92-60(77(114)91-57)37-50-40-86-55-14-7-6-13-54(50)55/h3-7,11-14,17-28,40,44,56-66,72,86,102-104H,8-10,15-16,29-39,41-43H2,1-2H3,(H,85,105)(H,87,106)(H,88,110)(H,89,101)(H,90,113)(H,91,114)(H,92,116)(H,93,112)(H,94,117)(H,95,119)(H,96,111)(H,97,115)(H,98,118)(H,99,107)(H,121,122)/t44-,56-,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-/m0/s1 3D Structure for NP0009099 (Microviridin L) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C84H98N16O24 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1715.7960 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1714.69399 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S)-2-{[(1S,4S,10S,13S,19R,22S,25S,29S,30S,33S,43S)-33-benzyl-30-(2-{2-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-4-[(4-hydroxyphenyl)methyl]-22-[(1H-indol-3-yl)methyl]-29-methyl-2,5,11,16,21,24,27,31,34,41,45,47-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,44,46-decaazatetracyclo[17.16.10.2^{13,25}.0^{6,10}]heptatetracontan-43-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S)-2-{[(1S,4S,10S,13S,19R,22S,25S,29S,30S,33S,43S)-33-benzyl-30-(2-{2-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-2,5,11,16,21,24,27,31,34,41,45,47-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,44,46-decaazatetracyclo[17.16.10.2^{13,25}.0^{6,10}]heptatetracontan-43-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | C[C@@H]1OC(=O)C[C@@H]2NC(=O)[C@@H]3COC(=O)CC[C@@H](NC(=O)[C@H](CC4=CNC5=CC=CC=C45)NC2=O)C(=O)N[C@@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]1NC(=O)CNC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(C)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N3)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C84H98N16O24/c1-44-72(99-69(107)42-87-68(106)41-88-73(110)58(89-45(2)101)34-47-17-23-51(102)24-18-47)82(119)95-59(33-46-11-4-3-5-12-46)76(113)90-56-15-8-9-31-85-67(105)38-61(78(115)97-64(84(121)122)36-49-21-27-53(104)28-22-49)93-75(112)57-29-30-70(108)123-43-65(98-81(118)66-16-10-32-100(66)83(120)63(96-74(56)111)35-48-19-25-52(103)26-20-48)80(117)94-62(39-71(109)124-44)79(116)92-60(77(114)91-57)37-50-40-86-55-14-7-6-13-54(50)55/h3-7,11-14,17-28,40,44,56-66,72,86,102-104H,8-10,15-16,29-39,41-43H2,1-2H3,(H,85,105)(H,87,106)(H,88,110)(H,89,101)(H,90,113)(H,91,114)(H,92,116)(H,93,112)(H,94,117)(H,95,119)(H,96,111)(H,97,115)(H,98,118)(H,99,107)(H,121,122)/t44-,56-,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | WLHHUMSPNLZREI-WLNUAIIISA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic acids and derivatives | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Peptidomimetics | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Hybrid peptides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Hybrid peptides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Substituents |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Molecular Framework | Aromatic heteropolycyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA027406 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 146683734 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
