Showing NP-Card for Quartromicin A1 (NP0004748)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 02:10:07 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:50:03 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0004748 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Quartromicin A1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Quartromicin A1 is found in Amycolatopsis and Amycolatopsis orientalis Q427-8 (ATCC 53884). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0004748 (Quartromicin A1)
Mrv1652307012117543D
205215 0 0 0 0 999 V2000
-5.1323 -4.4936 -1.1623 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9090 -3.6945 -0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4124 -2.9658 -1.8759 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7230 -1.7140 -1.6706 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2943 -0.7630 -0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7013 -0.3424 -1.1670 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.3273 -0.9460 -2.3827 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5871 -0.5414 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6702 0.2281 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5906 0.0501 1.2432 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.8819 -0.2859 0.8002 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7791 -0.4484 1.8256 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.8085 0.5074 1.7708 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.2907 0.4812 0.4568 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.1054 1.7084 0.1340 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.5619 1.6526 -1.1633 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.1823 -0.7245 0.3507 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.3447 -0.5714 1.0981 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.4138 -1.9649 0.6908 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.3439 -2.9529 1.0161 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.4560 -1.7921 1.8511 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.5854 -2.8552 1.8938 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0531 1.2804 -0.8839 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.7220 2.4084 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9413 1.7663 -1.7302 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6023 1.1733 -1.4125 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.7587 1.4580 -2.4544 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6512 2.1516 -1.9914 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3400 3.1401 -2.8979 O 0 5 0 0 0 1 0 0 0 0 0 0
-2.8409 2.5497 -0.5909 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0763 1.8201 -0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5677 1.7614 0.9009 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9597 4.0369 -0.3092 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2632 4.2166 0.2337 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8888 4.8825 -1.4882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8527 5.6387 -1.6908 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1790 6.3721 -0.6450 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0268 7.7975 -1.2677 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8778 6.6472 0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2417 7.0134 1.6909 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9841 7.2768 2.9064 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2263 7.1528 2.9012 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2401 7.1800 1.7467 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5208 8.5707 2.2885 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8920 7.0937 0.3880 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2831 5.9878 -0.4422 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8824 5.9976 -1.6784 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5262 4.8091 -1.8923 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2720 4.3713 -3.2098 O 0 5 0 0 0 1 0 0 0 0 0 0
0.9051 3.7984 -0.9775 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5038 4.6808 0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3808 4.4012 1.3450 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8454 2.7020 -0.5640 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5876 1.6198 -1.4066 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2667 3.1346 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7771 4.0080 0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0675 2.7424 -1.5714 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0339 1.4145 -2.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0071 0.3040 -1.4401 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6340 0.2359 -0.1191 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8743 1.1034 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9381 0.6725 -0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1426 1.5333 -0.7855 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2702 0.9298 -0.2457 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3725 1.7596 -0.2589 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9364 2.0034 0.9680 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3725 0.8878 1.6321 C 0 0 2 0 0 0 0 0 0 0 0 0
12.6470 1.2580 2.3805 C 0 0 1 0 0 0 0 0 0 0 0 0
13.6342 1.6940 1.5065 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5589 -0.3316 0.7943 C 0 0 2 0 0 0 0 0 0 0 0 0
12.4964 -1.1490 1.4223 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0765 -0.0409 -0.5981 C 0 0 2 0 0 0 0 0 0 0 0 0
13.4582 0.0547 -0.5419 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4281 1.1971 -1.1819 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9380 0.9156 -2.4379 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8018 -0.6218 -1.4650 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1018 -1.1758 -1.9917 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3394 -1.6035 -0.3801 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0907 -1.1110 0.3218 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4010 -1.0148 1.6746 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9359 -2.1145 2.3418 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9064 -1.7528 3.1960 O 0 5 0 0 0 1 0 0 0 0 0 0
4.5173 -3.1247 1.2984 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1015 -2.2017 0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1727 -2.4021 -0.5113 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3949 -4.0221 1.8031 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7907 -5.2904 1.4525 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1467 -3.5409 1.2175 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3746 -4.3203 0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1210 -5.7215 0.9005 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2401 -6.0454 2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7563 -6.7036 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3199 -7.9646 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9902 -8.8618 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6970 -10.0666 -1.1353 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1742 -8.3624 0.8131 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4652 -9.5899 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8516 -7.2665 0.9599 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3882 -5.9064 0.5720 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4827 -5.6540 -0.7680 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5502 -4.7978 -1.0005 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6074 -5.5723 -1.4194 O 0 5 0 0 0 1 0 0 0 0 0 0
-1.8008 -4.0243 0.2608 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1999 -4.9010 1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3729 -4.7730 2.4754 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2553 -3.7231 0.4612 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9371 -4.6149 1.2395 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1847 -5.4085 -0.5024 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0696 -3.9379 -0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1583 -4.7499 -2.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5387 -3.3908 -2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7163 -1.5302 -2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7006 -0.2565 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6156 -1.0982 -3.2177 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8982 -1.8922 -2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1128 -0.2581 -2.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3734 -1.2951 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2337 -0.7568 1.9241 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6921 0.9617 1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2798 -0.2937 2.8022 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4459 0.3597 -0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4485 2.6106 0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9503 1.8504 0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3921 2.5153 -1.6481 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5112 -0.8346 -0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1449 -0.8616 0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8672 -2.2896 -0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8639 -3.7763 1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1064 -1.7881 2.7731 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8485 -3.4462 2.6407 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8507 0.8529 -1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1938 2.6464 0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7110 3.2951 -0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7868 2.1743 0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8326 2.8705 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1691 1.7475 -2.8377 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7999 1.4066 -2.0894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0268 2.0755 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2930 4.2459 0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2721 4.0909 1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7534 4.8352 -2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4724 5.7269 -2.7307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0019 8.5670 -0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9633 8.0163 -1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1857 7.8036 -1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9470 6.5575 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4984 7.5759 3.8136 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6767 6.4677 2.4511 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6565 8.5664 3.3881 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4540 8.9923 1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2998 9.2760 1.9754 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9184 8.0542 -0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9616 6.8394 0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6304 4.8546 -1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0144 3.4127 -1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6143 2.4103 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3919 1.9196 -2.3184 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7117 4.5138 0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0513 4.7499 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0791 3.3450 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7789 3.4757 -1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0362 1.2890 -3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5046 -0.5412 -1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9256 0.6262 0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8657 2.0372 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3238 1.8722 -1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9882 2.4691 -0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0464 2.7191 -0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6394 0.6200 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4387 2.0384 3.1292 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0720 0.3892 2.9208 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5164 2.6784 1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6192 -0.9502 0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4282 -0.8339 1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8290 -0.9135 -1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7799 0.7018 -1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2254 1.9724 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4374 0.1416 -2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0958 -0.6283 -2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8253 -2.1365 -2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8125 -1.4613 -1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5399 -0.5388 -2.7882 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2076 -1.6902 0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2034 -2.5694 -0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7671 -2.5072 2.9711 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4381 -3.6876 1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4359 -3.8670 2.9248 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3709 -5.3116 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8340 -2.4956 1.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9010 -3.9096 -0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4295 -5.1059 2.9026 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9300 -6.8765 2.5989 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2618 -6.4046 2.7912 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5582 -6.4097 -0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8015 -8.4937 -1.5815 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5972 -8.6928 1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0964 -10.5022 0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5301 -9.5354 -0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5081 -9.7307 0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 -7.3389 1.9554 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6830 -7.5211 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2261 -4.1623 -1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 -3.0729 0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3390 -2.7219 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7189 -5.5531 1.1330 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
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 6 0 0 0
6 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
14 17 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
9 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 6 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
30 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 1 6 0 0 0
37 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
40 43 1 0 0 0 0
43 44 1 0 0 0 0
43 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 6 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
50 53 1 0 0 0 0
53 54 1 0 0 0 0
53 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 1 0 0 0 0
61 62 2 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
67 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 1 0 0 0 0
74 75 1 0 0 0 0
62 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 1 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
81 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 2 0 0 0 0
83 86 1 0 0 0 0
86 87 1 0 0 0 0
86 88 1 0 0 0 0
88 89 2 0 0 0 0
89 90 1 0 0 0 0
90 91 1 1 0 0 0
90 92 1 0 0 0 0
92 93 2 0 0 0 0
93 94 1 0 0 0 0
94 95 2 0 0 0 0
93 96 1 0 0 0 0
96 97 1 0 0 0 0
96 98 1 0 0 0 0
98 99 1 0 0 0 0
99100 1 6 0 0 0
100101 1 0 0 0 0
101102 1 0 0 0 0
101103 1 0 0 0 0
103104 1 0 0 0 0
104105 2 0 0 0 0
103106 1 0 0 0 0
106107 1 0 0 0 0
106 2 1 0 0 0 0
26 6 1 0 0 0 0
46 37 1 0 0 0 0
79 60 1 0 0 0 0
99 90 1 0 0 0 0
21 12 1 0 0 0 0
31 26 1 0 0 0 0
51 46 1 0 0 0 0
74 65 1 0 0 0 0
84 79 1 0 0 0 0
104 99 1 0 0 0 0
1108 1 0 0 0 0
1109 1 0 0 0 0
1110 1 0 0 0 0
3111 1 0 0 0 0
4112 1 0 0 0 0
5113 1 0 0 0 0
7114 1 0 0 0 0
7115 1 0 0 0 0
7116 1 0 0 0 0
8117 1 0 0 0 0
10118 1 0 0 0 0
10119 1 0 0 0 0
12120 1 1 0 0 0
14121 1 6 0 0 0
15122 1 0 0 0 0
15123 1 0 0 0 0
16124 1 0 0 0 0
17125 1 6 0 0 0
18126 1 0 0 0 0
19127 1 6 0 0 0
20128 1 0 0 0 0
21129 1 1 0 0 0
22130 1 0 0 0 0
23131 1 6 0 0 0
24132 1 0 0 0 0
24133 1 0 0 0 0
24134 1 0 0 0 0
25135 1 0 0 0 0
25136 1 0 0 0 0
28137 1 1 0 0 0
30138 1 1 0 0 0
33139 1 1 0 0 0
34140 1 0 0 0 0
35141 1 0 0 0 0
36142 1 0 0 0 0
38143 1 0 0 0 0
38144 1 0 0 0 0
38145 1 0 0 0 0
39146 1 0 0 0 0
41147 1 0 0 0 0
43148 1 1 0 0 0
44149 1 0 0 0 0
44150 1 0 0 0 0
44151 1 0 0 0 0
45152 1 0 0 0 0
45153 1 0 0 0 0
48154 1 1 0 0 0
50155 1 6 0 0 0
53156 1 1 0 0 0
54157 1 0 0 0 0
56158 1 0 0 0 0
56159 1 0 0 0 0
56160 1 0 0 0 0
57161 1 0 0 0 0
58162 1 0 0 0 0
59163 1 0 0 0 0
60164 1 1 0 0 0
61165 1 0 0 0 0
63166 1 0 0 0 0
63167 1 0 0 0 0
65168 1 6 0 0 0
67169 1 1 0 0 0
68170 1 0 0 0 0
68171 1 0 0 0 0
69172 1 0 0 0 0
70173 1 6 0 0 0
71174 1 0 0 0 0
72175 1 6 0 0 0
73176 1 0 0 0 0
74177 1 6 0 0 0
75178 1 0 0 0 0
76179 1 6 0 0 0
77180 1 0 0 0 0
77181 1 0 0 0 0
77182 1 0 0 0 0
78183 1 0 0 0 0
78184 1 0 0 0 0
81185 1 1 0 0 0
83186 1 6 0 0 0
86187 1 1 0 0 0
87188 1 0 0 0 0
88189 1 0 0 0 0
89190 1 0 0 0 0
91191 1 0 0 0 0
91192 1 0 0 0 0
91193 1 0 0 0 0
92194 1 0 0 0 0
94195 1 0 0 0 0
96196 1 1 0 0 0
97197 1 0 0 0 0
97198 1 0 0 0 0
97199 1 0 0 0 0
98200 1 0 0 0 0
98201 1 0 0 0 0
101202 1 6 0 0 0
103203 1 6 0 0 0
106204 1 1 0 0 0
107205 1 0 0 0 0
M CHG 4 29 -1 49 -1 82 -1 102 -1
M END
3D MOL for NP0004748 (Quartromicin A1)
RDKit 3D
205215 0 0 0 0 0 0 0 0999 V2000
-5.1323 -4.4936 -1.1623 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9090 -3.6945 -0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4124 -2.9658 -1.8759 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7230 -1.7140 -1.6706 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2943 -0.7630 -0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7013 -0.3424 -1.1670 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.3273 -0.9460 -2.3827 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5871 -0.5414 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6702 0.2281 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5906 0.0501 1.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8819 -0.2859 0.8002 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7791 -0.4484 1.8256 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.8085 0.5074 1.7708 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.2907 0.4812 0.4568 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.1054 1.7084 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.5619 1.6526 -1.1633 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.1823 -0.7245 0.3507 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.3447 -0.5714 1.0981 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.4138 -1.9649 0.6908 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.3439 -2.9529 1.0161 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.4560 -1.7921 1.8511 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.5854 -2.8552 1.8938 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0531 1.2804 -0.8839 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.7220 2.4084 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9413 1.7663 -1.7302 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6023 1.1733 -1.4125 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.7587 1.4580 -2.4544 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6512 2.1516 -1.9914 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3400 3.1401 -2.8979 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.8409 2.5497 -0.5909 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0763 1.8201 -0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5677 1.7614 0.9009 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9597 4.0369 -0.3092 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2632 4.2166 0.2337 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8888 4.8825 -1.4882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8527 5.6387 -1.6908 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1790 6.3721 -0.6450 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0268 7.7975 -1.2677 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8778 6.6472 0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2417 7.0134 1.6909 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9841 7.2768 2.9064 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2263 7.1528 2.9012 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2401 7.1800 1.7467 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5208 8.5707 2.2885 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8920 7.0937 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2831 5.9878 -0.4422 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8824 5.9976 -1.6784 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5262 4.8091 -1.8923 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2720 4.3713 -3.2098 O 0 0 0 0 0 1 0 0 0 0 0 0
0.9051 3.7984 -0.9775 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5038 4.6808 0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3808 4.4012 1.3450 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8454 2.7020 -0.5640 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5876 1.6198 -1.4066 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2667 3.1346 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7771 4.0080 0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0675 2.7424 -1.5714 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0339 1.4145 -2.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0071 0.3040 -1.4401 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6340 0.2359 -0.1191 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8743 1.1034 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9381 0.6725 -0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1426 1.5333 -0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2702 0.9298 -0.2457 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3725 1.7596 -0.2589 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9364 2.0034 0.9680 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3725 0.8878 1.6321 C 0 0 2 0 0 0 0 0 0 0 0 0
12.6470 1.2580 2.3805 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6342 1.6940 1.5065 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5589 -0.3316 0.7943 C 0 0 2 0 0 0 0 0 0 0 0 0
12.4964 -1.1490 1.4223 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0765 -0.0409 -0.5981 C 0 0 2 0 0 0 0 0 0 0 0 0
13.4582 0.0547 -0.5419 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4281 1.1971 -1.1819 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9380 0.9156 -2.4379 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8018 -0.6218 -1.4650 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1018 -1.1758 -1.9917 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3394 -1.6035 -0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0907 -1.1110 0.3218 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4010 -1.0148 1.6746 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9359 -2.1145 2.3418 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9064 -1.7528 3.1960 O 0 0 0 0 0 1 0 0 0 0 0 0
4.5173 -3.1247 1.2984 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1015 -2.2017 0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1727 -2.4021 -0.5113 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3949 -4.0221 1.8031 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7907 -5.2904 1.4525 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1467 -3.5409 1.2175 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3746 -4.3203 0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1210 -5.7215 0.9005 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2401 -6.0454 2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7563 -6.7036 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3199 -7.9646 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9902 -8.8618 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6970 -10.0666 -1.1353 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1742 -8.3624 0.8131 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4652 -9.5899 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8516 -7.2665 0.9599 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3882 -5.9064 0.5720 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4827 -5.6540 -0.7680 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5502 -4.7978 -1.0005 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6074 -5.5723 -1.4194 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.8008 -4.0243 0.2608 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1999 -4.9010 1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3729 -4.7730 2.4754 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2553 -3.7231 0.4612 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9371 -4.6149 1.2395 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1847 -5.4085 -0.5024 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0696 -3.9379 -0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1583 -4.7499 -2.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5387 -3.3908 -2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7163 -1.5302 -2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7006 -0.2565 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6156 -1.0982 -3.2177 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8982 -1.8922 -2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1128 -0.2581 -2.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3734 -1.2951 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2337 -0.7568 1.9241 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6921 0.9617 1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2798 -0.2937 2.8022 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4459 0.3597 -0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4485 2.6106 0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9503 1.8504 0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3921 2.5153 -1.6481 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5112 -0.8346 -0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1449 -0.8616 0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8672 -2.2896 -0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8639 -3.7763 1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1064 -1.7881 2.7731 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8485 -3.4462 2.6407 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8507 0.8529 -1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1938 2.6464 0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7110 3.2951 -0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7868 2.1743 0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8326 2.8705 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1691 1.7475 -2.8377 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7999 1.4066 -2.0894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0268 2.0755 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2930 4.2459 0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2721 4.0909 1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7534 4.8352 -2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4724 5.7269 -2.7307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0019 8.5670 -0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9633 8.0163 -1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1857 7.8036 -1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9470 6.5575 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4984 7.5759 3.8136 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6767 6.4677 2.4511 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6565 8.5664 3.3881 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4540 8.9923 1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2998 9.2760 1.9754 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9184 8.0542 -0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9616 6.8394 0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6304 4.8546 -1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0144 3.4127 -1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6143 2.4103 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3919 1.9196 -2.3184 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7117 4.5138 0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0513 4.7499 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0791 3.3450 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7789 3.4757 -1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0362 1.2890 -3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5046 -0.5412 -1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9256 0.6262 0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8657 2.0372 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3238 1.8722 -1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9882 2.4691 -0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0464 2.7191 -0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6394 0.6200 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4387 2.0384 3.1292 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0720 0.3892 2.9208 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5164 2.6784 1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6192 -0.9502 0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4282 -0.8339 1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8290 -0.9135 -1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7799 0.7018 -1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2254 1.9724 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4374 0.1416 -2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0958 -0.6283 -2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8253 -2.1365 -2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8125 -1.4613 -1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5399 -0.5388 -2.7882 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2076 -1.6902 0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2034 -2.5694 -0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7671 -2.5072 2.9711 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4381 -3.6876 1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4359 -3.8670 2.9248 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3709 -5.3116 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8340 -2.4956 1.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9010 -3.9096 -0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4295 -5.1059 2.9026 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9300 -6.8765 2.5989 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2618 -6.4046 2.7912 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5582 -6.4097 -0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8015 -8.4937 -1.5815 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5972 -8.6928 1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0964 -10.5022 0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5301 -9.5354 -0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5081 -9.7307 0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 -7.3389 1.9554 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6830 -7.5211 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2261 -4.1623 -1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 -3.0729 0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3390 -2.7219 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7189 -5.5531 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 1 6
6 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
14 17 1 0
17 18 1 0
17 19 1 0
19 20 1 0
19 21 1 0
21 22 1 0
9 23 1 0
23 24 1 0
23 25 1 0
25 26 1 0
26 27 1 6
27 28 1 0
28 29 1 0
28 30 1 0
30 31 1 0
31 32 2 0
30 33 1 0
33 34 1 0
33 35 1 0
35 36 2 0
36 37 1 0
37 38 1 6
37 39 1 0
39 40 2 0
40 41 1 0
41 42 2 0
40 43 1 0
43 44 1 0
43 45 1 0
45 46 1 0
46 47 1 6
47 48 1 0
48 49 1 0
48 50 1 0
50 51 1 0
51 52 2 0
50 53 1 0
53 54 1 0
53 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 1 0
61 62 2 0
62 63 1 0
63 64 1 0
64 65 1 0
65 66 1 0
66 67 1 0
67 68 1 0
68 69 1 0
67 70 1 0
70 71 1 0
70 72 1 0
72 73 1 0
72 74 1 0
74 75 1 0
62 76 1 0
76 77 1 0
76 78 1 0
78 79 1 0
79 80 1 1
80 81 1 0
81 82 1 0
81 83 1 0
83 84 1 0
84 85 2 0
83 86 1 0
86 87 1 0
86 88 1 0
88 89 2 0
89 90 1 0
90 91 1 1
90 92 1 0
92 93 2 0
93 94 1 0
94 95 2 0
93 96 1 0
96 97 1 0
96 98 1 0
98 99 1 0
99100 1 6
100101 1 0
101102 1 0
101103 1 0
103104 1 0
104105 2 0
103106 1 0
106107 1 0
106 2 1 0
26 6 1 0
46 37 1 0
79 60 1 0
99 90 1 0
21 12 1 0
31 26 1 0
51 46 1 0
74 65 1 0
84 79 1 0
104 99 1 0
1108 1 0
1109 1 0
1110 1 0
3111 1 0
4112 1 0
5113 1 0
7114 1 0
7115 1 0
7116 1 0
8117 1 0
10118 1 0
10119 1 0
12120 1 1
14121 1 6
15122 1 0
15123 1 0
16124 1 0
17125 1 6
18126 1 0
19127 1 6
20128 1 0
21129 1 1
22130 1 0
23131 1 6
24132 1 0
24133 1 0
24134 1 0
25135 1 0
25136 1 0
28137 1 1
30138 1 1
33139 1 1
34140 1 0
35141 1 0
36142 1 0
38143 1 0
38144 1 0
38145 1 0
39146 1 0
41147 1 0
43148 1 1
44149 1 0
44150 1 0
44151 1 0
45152 1 0
45153 1 0
48154 1 1
50155 1 6
53156 1 1
54157 1 0
56158 1 0
56159 1 0
56160 1 0
57161 1 0
58162 1 0
59163 1 0
60164 1 1
61165 1 0
63166 1 0
63167 1 0
65168 1 6
67169 1 1
68170 1 0
68171 1 0
69172 1 0
70173 1 6
71174 1 0
72175 1 6
73176 1 0
74177 1 6
75178 1 0
76179 1 6
77180 1 0
77181 1 0
77182 1 0
78183 1 0
78184 1 0
81185 1 1
83186 1 6
86187 1 1
87188 1 0
88189 1 0
89190 1 0
91191 1 0
91192 1 0
91193 1 0
92194 1 0
94195 1 0
96196 1 1
97197 1 0
97198 1 0
97199 1 0
98200 1 0
98201 1 0
101202 1 6
103203 1 6
106204 1 1
107205 1 0
M CHG 4 29 -1 49 -1 82 -1 102 -1
M END
3D SDF for NP0004748 (Quartromicin A1)
Mrv1652307012117543D
205215 0 0 0 0 999 V2000
-5.1323 -4.4936 -1.1623 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9090 -3.6945 -0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4124 -2.9658 -1.8759 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7230 -1.7140 -1.6706 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2943 -0.7630 -0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7013 -0.3424 -1.1670 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.3273 -0.9460 -2.3827 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5871 -0.5414 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6702 0.2281 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5906 0.0501 1.2432 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.8819 -0.2859 0.8002 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7791 -0.4484 1.8256 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.8085 0.5074 1.7708 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.2907 0.4812 0.4568 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.1054 1.7084 0.1340 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.5619 1.6526 -1.1633 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.1823 -0.7245 0.3507 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.3447 -0.5714 1.0981 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.4138 -1.9649 0.6908 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.3439 -2.9529 1.0161 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.4560 -1.7921 1.8511 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.5854 -2.8552 1.8938 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0531 1.2804 -0.8839 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.7220 2.4084 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9413 1.7663 -1.7302 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6023 1.1733 -1.4125 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.7587 1.4580 -2.4544 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6512 2.1516 -1.9914 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3400 3.1401 -2.8979 O 0 5 0 0 0 1 0 0 0 0 0 0
-2.8409 2.5497 -0.5909 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0763 1.8201 -0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5677 1.7614 0.9009 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9597 4.0369 -0.3092 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2632 4.2166 0.2337 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8888 4.8825 -1.4882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8527 5.6387 -1.6908 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1790 6.3721 -0.6450 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0268 7.7975 -1.2677 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8778 6.6472 0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2417 7.0134 1.6909 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9841 7.2768 2.9064 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2263 7.1528 2.9012 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2401 7.1800 1.7467 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5208 8.5707 2.2885 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8920 7.0937 0.3880 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2831 5.9878 -0.4422 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8824 5.9976 -1.6784 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5262 4.8091 -1.8923 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2720 4.3713 -3.2098 O 0 5 0 0 0 1 0 0 0 0 0 0
0.9051 3.7984 -0.9775 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5038 4.6808 0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3808 4.4012 1.3450 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8454 2.7020 -0.5640 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5876 1.6198 -1.4066 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2667 3.1346 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7771 4.0080 0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0675 2.7424 -1.5714 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0339 1.4145 -2.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0071 0.3040 -1.4401 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6340 0.2359 -0.1191 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8743 1.1034 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9381 0.6725 -0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1426 1.5333 -0.7855 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2702 0.9298 -0.2457 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3725 1.7596 -0.2589 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9364 2.0034 0.9680 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3725 0.8878 1.6321 C 0 0 2 0 0 0 0 0 0 0 0 0
12.6470 1.2580 2.3805 C 0 0 1 0 0 0 0 0 0 0 0 0
13.6342 1.6940 1.5065 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5589 -0.3316 0.7943 C 0 0 2 0 0 0 0 0 0 0 0 0
12.4964 -1.1490 1.4223 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0765 -0.0409 -0.5981 C 0 0 2 0 0 0 0 0 0 0 0 0
13.4582 0.0547 -0.5419 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4281 1.1971 -1.1819 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9380 0.9156 -2.4379 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8018 -0.6218 -1.4650 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1018 -1.1758 -1.9917 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3394 -1.6035 -0.3801 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0907 -1.1110 0.3218 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4010 -1.0148 1.6746 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9359 -2.1145 2.3418 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9064 -1.7528 3.1960 O 0 5 0 0 0 1 0 0 0 0 0 0
4.5173 -3.1247 1.2984 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1015 -2.2017 0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1727 -2.4021 -0.5113 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3949 -4.0221 1.8031 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7907 -5.2904 1.4525 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1467 -3.5409 1.2175 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3746 -4.3203 0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1210 -5.7215 0.9005 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2401 -6.0454 2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7563 -6.7036 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3199 -7.9646 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9902 -8.8618 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6970 -10.0666 -1.1353 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1742 -8.3624 0.8131 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4652 -9.5899 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8516 -7.2665 0.9599 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3882 -5.9064 0.5720 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4827 -5.6540 -0.7680 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5502 -4.7978 -1.0005 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6074 -5.5723 -1.4194 O 0 5 0 0 0 1 0 0 0 0 0 0
-1.8008 -4.0243 0.2608 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1999 -4.9010 1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3729 -4.7730 2.4754 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2553 -3.7231 0.4612 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9371 -4.6149 1.2395 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1847 -5.4085 -0.5024 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0696 -3.9379 -0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1583 -4.7499 -2.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5387 -3.3908 -2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7163 -1.5302 -2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7006 -0.2565 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6156 -1.0982 -3.2177 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8982 -1.8922 -2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1128 -0.2581 -2.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3734 -1.2951 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2337 -0.7568 1.9241 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6921 0.9617 1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2798 -0.2937 2.8022 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4459 0.3597 -0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4485 2.6106 0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9503 1.8504 0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3921 2.5153 -1.6481 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5112 -0.8346 -0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1449 -0.8616 0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8672 -2.2896 -0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8639 -3.7763 1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1064 -1.7881 2.7731 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8485 -3.4462 2.6407 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8507 0.8529 -1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1938 2.6464 0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7110 3.2951 -0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7868 2.1743 0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8326 2.8705 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1691 1.7475 -2.8377 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7999 1.4066 -2.0894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0268 2.0755 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2930 4.2459 0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2721 4.0909 1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7534 4.8352 -2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4724 5.7269 -2.7307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0019 8.5670 -0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9633 8.0163 -1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1857 7.8036 -1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9470 6.5575 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4984 7.5759 3.8136 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6767 6.4677 2.4511 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6565 8.5664 3.3881 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4540 8.9923 1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2998 9.2760 1.9754 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9184 8.0542 -0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9616 6.8394 0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6304 4.8546 -1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0144 3.4127 -1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6143 2.4103 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3919 1.9196 -2.3184 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7117 4.5138 0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0513 4.7499 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0791 3.3450 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7789 3.4757 -1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0362 1.2890 -3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5046 -0.5412 -1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9256 0.6262 0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8657 2.0372 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3238 1.8722 -1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9882 2.4691 -0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0464 2.7191 -0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6394 0.6200 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4387 2.0384 3.1292 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0720 0.3892 2.9208 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5164 2.6784 1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6192 -0.9502 0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4282 -0.8339 1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8290 -0.9135 -1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7799 0.7018 -1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2254 1.9724 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4374 0.1416 -2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0958 -0.6283 -2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8253 -2.1365 -2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8125 -1.4613 -1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5399 -0.5388 -2.7882 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2076 -1.6902 0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2034 -2.5694 -0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7671 -2.5072 2.9711 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4381 -3.6876 1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4359 -3.8670 2.9248 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3709 -5.3116 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8340 -2.4956 1.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9010 -3.9096 -0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4295 -5.1059 2.9026 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9300 -6.8765 2.5989 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2618 -6.4046 2.7912 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5582 -6.4097 -0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8015 -8.4937 -1.5815 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5972 -8.6928 1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0964 -10.5022 0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5301 -9.5354 -0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5081 -9.7307 0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 -7.3389 1.9554 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6830 -7.5211 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2261 -4.1623 -1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 -3.0729 0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3390 -2.7219 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7189 -5.5531 1.1330 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
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 6 0 0 0
6 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
14 17 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
9 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 6 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
30 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 1 6 0 0 0
37 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
40 43 1 0 0 0 0
43 44 1 0 0 0 0
43 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 6 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
50 53 1 0 0 0 0
53 54 1 0 0 0 0
53 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 1 0 0 0 0
61 62 2 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
67 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 1 0 0 0 0
74 75 1 0 0 0 0
62 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 1 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
81 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 2 0 0 0 0
83 86 1 0 0 0 0
86 87 1 0 0 0 0
86 88 1 0 0 0 0
88 89 2 0 0 0 0
89 90 1 0 0 0 0
90 91 1 1 0 0 0
90 92 1 0 0 0 0
92 93 2 0 0 0 0
93 94 1 0 0 0 0
94 95 2 0 0 0 0
93 96 1 0 0 0 0
96 97 1 0 0 0 0
96 98 1 0 0 0 0
98 99 1 0 0 0 0
99100 1 6 0 0 0
100101 1 0 0 0 0
101102 1 0 0 0 0
101103 1 0 0 0 0
103104 1 0 0 0 0
104105 2 0 0 0 0
103106 1 0 0 0 0
106107 1 0 0 0 0
106 2 1 0 0 0 0
26 6 1 0 0 0 0
46 37 1 0 0 0 0
79 60 1 0 0 0 0
99 90 1 0 0 0 0
21 12 1 0 0 0 0
31 26 1 0 0 0 0
51 46 1 0 0 0 0
74 65 1 0 0 0 0
84 79 1 0 0 0 0
104 99 1 0 0 0 0
1108 1 0 0 0 0
1109 1 0 0 0 0
1110 1 0 0 0 0
3111 1 0 0 0 0
4112 1 0 0 0 0
5113 1 0 0 0 0
7114 1 0 0 0 0
7115 1 0 0 0 0
7116 1 0 0 0 0
8117 1 0 0 0 0
10118 1 0 0 0 0
10119 1 0 0 0 0
12120 1 1 0 0 0
14121 1 6 0 0 0
15122 1 0 0 0 0
15123 1 0 0 0 0
16124 1 0 0 0 0
17125 1 6 0 0 0
18126 1 0 0 0 0
19127 1 6 0 0 0
20128 1 0 0 0 0
21129 1 1 0 0 0
22130 1 0 0 0 0
23131 1 6 0 0 0
24132 1 0 0 0 0
24133 1 0 0 0 0
24134 1 0 0 0 0
25135 1 0 0 0 0
25136 1 0 0 0 0
28137 1 1 0 0 0
30138 1 1 0 0 0
33139 1 1 0 0 0
34140 1 0 0 0 0
35141 1 0 0 0 0
36142 1 0 0 0 0
38143 1 0 0 0 0
38144 1 0 0 0 0
38145 1 0 0 0 0
39146 1 0 0 0 0
41147 1 0 0 0 0
43148 1 1 0 0 0
44149 1 0 0 0 0
44150 1 0 0 0 0
44151 1 0 0 0 0
45152 1 0 0 0 0
45153 1 0 0 0 0
48154 1 1 0 0 0
50155 1 6 0 0 0
53156 1 1 0 0 0
54157 1 0 0 0 0
56158 1 0 0 0 0
56159 1 0 0 0 0
56160 1 0 0 0 0
57161 1 0 0 0 0
58162 1 0 0 0 0
59163 1 0 0 0 0
60164 1 1 0 0 0
61165 1 0 0 0 0
63166 1 0 0 0 0
63167 1 0 0 0 0
65168 1 6 0 0 0
67169 1 1 0 0 0
68170 1 0 0 0 0
68171 1 0 0 0 0
69172 1 0 0 0 0
70173 1 6 0 0 0
71174 1 0 0 0 0
72175 1 6 0 0 0
73176 1 0 0 0 0
74177 1 6 0 0 0
75178 1 0 0 0 0
76179 1 6 0 0 0
77180 1 0 0 0 0
77181 1 0 0 0 0
77182 1 0 0 0 0
78183 1 0 0 0 0
78184 1 0 0 0 0
81185 1 1 0 0 0
83186 1 6 0 0 0
86187 1 1 0 0 0
87188 1 0 0 0 0
88189 1 0 0 0 0
89190 1 0 0 0 0
91191 1 0 0 0 0
91192 1 0 0 0 0
91193 1 0 0 0 0
92194 1 0 0 0 0
94195 1 0 0 0 0
96196 1 1 0 0 0
97197 1 0 0 0 0
97198 1 0 0 0 0
97199 1 0 0 0 0
98200 1 0 0 0 0
98201 1 0 0 0 0
101202 1 6 0 0 0
103203 1 6 0 0 0
106204 1 1 0 0 0
107205 1 0 0 0 0
M CHG 4 29 -1 49 -1 82 -1 102 -1
M END
> <DATABASE_ID>
NP0004748
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OC([H])([H])C2=C([H])[C@@]3([H])\C([H])=C(\[H])/C(/[H])=C(C([H])([H])[H])\[C@]([H])(O[H])[C@@]4([H])C(=O)[C@]5(O[C@]4([H])[O-])C([H])([H])[C@]([H])(C(C([H])=O)=C([H])[C@@]5(\C([H])=C([H])/[C@@]([H])(O[H])[C@@]4([H])C(=O)[C@]5(O[C@@]4([H])[O-])C([H])([H])[C@@]([H])(C(=C([H])[C@@]5(\C([H])=C(\[H])/C(/[H])=C(C([H])([H])[H])\[C@@]([H])(O[H])[C@@]4([H])C(=O)[C@]5(O[C@@]4([H])[O-])C([H])([H])[C@]([H])(C(C([H])=O)=C([H])[C@]5(\C([H])=C([H])/[C@@]([H])(O[H])[C@@]4([H])C(=O)[C@@]3(O[C@@]4([H])[O-])C([H])([H])[C@]2([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
> <INCHI_IDENTIFIER>
InChI=1S/C77H98O30/c1-34-12-10-14-44-20-40(32-100-69-59(90)57(88)55(86)47(30-80)102-69)36(3)21-74(44)61(92)49(65(96)104-74)45(82)15-18-72(8)25-41(28-78)38(5)23-77(72)64(95)52(68(99)107-77)54(85)35(2)13-11-17-71(7)27-43(33-101-70-60(91)58(89)56(87)48(31-81)103-70)39(6)24-75(71)62(93)50(66(97)105-75)46(83)16-19-73(9)26-42(29-79)37(4)22-76(73)63(94)51(53(34)84)67(98)106-76/h10-20,25-29,36-39,44-60,65-70,80-91H,21-24,30-33H2,1-9H3/q-4/b14-10-,17-11-,18-15-,19-16-,34-12-,35-13-/t36-,37+,38+,39-,44+,45+,46+,47+,48+,49-,50-,51-,52-,53-,54+,55-,56-,57-,58-,59+,60+,65+,66+,67-,68+,69-,70-,71-,72+,73-,74+,75+,76+,77+/m0/s1
> <INCHI_KEY>
JJNPIRKBXBBKHB-UVFZGITFSA-N
> <FORMULA>
C77H98O30
> <MOLECULAR_WEIGHT>
1503.603
> <EXACT_MASS>
1502.616486075
> <JCHEM_ACCEPTOR_COUNT>
30
> <JCHEM_ATOM_COUNT>
205
> <JCHEM_AVERAGE_POLARIZABILITY>
153.95749383297624
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
12
> <JCHEM_FORMAL_CHARGE>
-4
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(1S,3R,6S,7Z,9R,10R,11R,13S,15S,18S,19Z,21Z,23S,24R,25R,27S,29R,32R,33Z,35R,36R,37R,39R,41S,44R,45Z,47Z,49R,50R,51S)-4,30-diformyl-9,23,35,49-tetrahydroxy-3,6,15,18,22,29,32,41,48-nonamethyl-53,54,55,56-tetraoxo-16,42-bis({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-12,26,38,52-tetraoxanonacyclo[48.2.1.1^{10,13}.1^{24,27}.1^{36,39}.0^{1,6}.0^{13,18}.0^{27,32}.0^{39,44}]hexapentaconta-4,7,16,19,21,30,33,42,45,47-decaene-11,25,37,51-tetrakis(olate)
> <ALOGPS_LOGP>
1.72
> <JCHEM_LOGP>
-0.7453881566666679
> <ALOGPS_LOGS>
-4.10
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
11
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
11.599467565910729
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.209086665584953
> <JCHEM_PKA_STRONGEST_BASIC>
-3.6786198722573475
> <JCHEM_POLAR_SURFACE_AREA>
511.2600000000001
> <JCHEM_REFRACTIVITY>
423.1266999999998
> <JCHEM_ROTATABLE_BOND_COUNT>
10
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.24e-01 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(1S,3R,6S,7Z,9R,10R,11R,13S,15S,18S,19Z,21Z,23S,24R,25R,27S,29R,32R,33Z,35R,36R,37R,39R,41S,44R,45Z,47Z,49R,50R,51S)-4,30-diformyl-9,23,35,49-tetrahydroxy-3,6,15,18,22,29,32,41,48-nonamethyl-53,54,55,56-tetraoxo-16,42-bis({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-12,26,38,52-tetraoxanonacyclo[48.2.1.1^{10,13}.1^{24,27}.1^{36,39}.0^{1,6}.0^{13,18}.0^{27,32}.0^{39,44}]hexapentaconta-4,7,16,19,21,30,33,42,45,47-decaene-11,25,37,51-tetrakis(olate)
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0004748 (Quartromicin A1)
RDKit 3D
205215 0 0 0 0 0 0 0 0999 V2000
-5.1323 -4.4936 -1.1623 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9090 -3.6945 -0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4124 -2.9658 -1.8759 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7230 -1.7140 -1.6706 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2943 -0.7630 -0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7013 -0.3424 -1.1670 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.3273 -0.9460 -2.3827 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5871 -0.5414 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6702 0.2281 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5906 0.0501 1.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8819 -0.2859 0.8002 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7791 -0.4484 1.8256 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.8085 0.5074 1.7708 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.2907 0.4812 0.4568 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.1054 1.7084 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.5619 1.6526 -1.1633 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.1823 -0.7245 0.3507 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.3447 -0.5714 1.0981 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.4138 -1.9649 0.6908 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.3439 -2.9529 1.0161 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.4560 -1.7921 1.8511 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.5854 -2.8552 1.8938 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0531 1.2804 -0.8839 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.7220 2.4084 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9413 1.7663 -1.7302 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6023 1.1733 -1.4125 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.7587 1.4580 -2.4544 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6512 2.1516 -1.9914 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3400 3.1401 -2.8979 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.8409 2.5497 -0.5909 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0763 1.8201 -0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5677 1.7614 0.9009 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9597 4.0369 -0.3092 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2632 4.2166 0.2337 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8888 4.8825 -1.4882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8527 5.6387 -1.6908 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1790 6.3721 -0.6450 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0268 7.7975 -1.2677 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8778 6.6472 0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2417 7.0134 1.6909 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9841 7.2768 2.9064 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2263 7.1528 2.9012 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2401 7.1800 1.7467 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5208 8.5707 2.2885 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8920 7.0937 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2831 5.9878 -0.4422 C 0 0 2 0 0 0 0 0 0 0 0 0
0.8824 5.9976 -1.6784 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5262 4.8091 -1.8923 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2720 4.3713 -3.2098 O 0 0 0 0 0 1 0 0 0 0 0 0
0.9051 3.7984 -0.9775 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5038 4.6808 0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3808 4.4012 1.3450 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8454 2.7020 -0.5640 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5876 1.6198 -1.4066 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2667 3.1346 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7771 4.0080 0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0675 2.7424 -1.5714 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0339 1.4145 -2.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0071 0.3040 -1.4401 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6340 0.2359 -0.1191 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8743 1.1034 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9381 0.6725 -0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1426 1.5333 -0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2702 0.9298 -0.2457 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3725 1.7596 -0.2589 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9364 2.0034 0.9680 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3725 0.8878 1.6321 C 0 0 2 0 0 0 0 0 0 0 0 0
12.6470 1.2580 2.3805 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6342 1.6940 1.5065 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5589 -0.3316 0.7943 C 0 0 2 0 0 0 0 0 0 0 0 0
12.4964 -1.1490 1.4223 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0765 -0.0409 -0.5981 C 0 0 2 0 0 0 0 0 0 0 0 0
13.4582 0.0547 -0.5419 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4281 1.1971 -1.1819 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9380 0.9156 -2.4379 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8018 -0.6218 -1.4650 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1018 -1.1758 -1.9917 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3394 -1.6035 -0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0907 -1.1110 0.3218 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4010 -1.0148 1.6746 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9359 -2.1145 2.3418 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9064 -1.7528 3.1960 O 0 0 0 0 0 1 0 0 0 0 0 0
4.5173 -3.1247 1.2984 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1015 -2.2017 0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1727 -2.4021 -0.5113 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3949 -4.0221 1.8031 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7907 -5.2904 1.4525 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1467 -3.5409 1.2175 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3746 -4.3203 0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1210 -5.7215 0.9005 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2401 -6.0454 2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7563 -6.7036 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3199 -7.9646 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9902 -8.8618 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6970 -10.0666 -1.1353 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1742 -8.3624 0.8131 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4652 -9.5899 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8516 -7.2665 0.9599 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3882 -5.9064 0.5720 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4827 -5.6540 -0.7680 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5502 -4.7978 -1.0005 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6074 -5.5723 -1.4194 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.8008 -4.0243 0.2608 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1999 -4.9010 1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3729 -4.7730 2.4754 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2553 -3.7231 0.4612 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9371 -4.6149 1.2395 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1847 -5.4085 -0.5024 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0696 -3.9379 -0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1583 -4.7499 -2.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5387 -3.3908 -2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7163 -1.5302 -2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7006 -0.2565 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6156 -1.0982 -3.2177 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8982 -1.8922 -2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1128 -0.2581 -2.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3734 -1.2951 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2337 -0.7568 1.9241 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6921 0.9617 1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2798 -0.2937 2.8022 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4459 0.3597 -0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4485 2.6106 0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9503 1.8504 0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3921 2.5153 -1.6481 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5112 -0.8346 -0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1449 -0.8616 0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8672 -2.2896 -0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8639 -3.7763 1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1064 -1.7881 2.7731 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8485 -3.4462 2.6407 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8507 0.8529 -1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1938 2.6464 0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7110 3.2951 -0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7868 2.1743 0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8326 2.8705 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1691 1.7475 -2.8377 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7999 1.4066 -2.0894 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0268 2.0755 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2930 4.2459 0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2721 4.0909 1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7534 4.8352 -2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4724 5.7269 -2.7307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0019 8.5670 -0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9633 8.0163 -1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1857 7.8036 -1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9470 6.5575 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4984 7.5759 3.8136 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6767 6.4677 2.4511 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6565 8.5664 3.3881 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4540 8.9923 1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2998 9.2760 1.9754 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9184 8.0542 -0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9616 6.8394 0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6304 4.8546 -1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0144 3.4127 -1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6143 2.4103 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3919 1.9196 -2.3184 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7117 4.5138 0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0513 4.7499 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0791 3.3450 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7789 3.4757 -1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0362 1.2890 -3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5046 -0.5412 -1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9256 0.6262 0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8657 2.0372 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3238 1.8722 -1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9882 2.4691 -0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0464 2.7191 -0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6394 0.6200 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4387 2.0384 3.1292 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0720 0.3892 2.9208 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5164 2.6784 1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6192 -0.9502 0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4282 -0.8339 1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8290 -0.9135 -1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7799 0.7018 -1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2254 1.9724 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4374 0.1416 -2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0958 -0.6283 -2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8253 -2.1365 -2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8125 -1.4613 -1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5399 -0.5388 -2.7882 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2076 -1.6902 0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2034 -2.5694 -0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7671 -2.5072 2.9711 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4381 -3.6876 1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4359 -3.8670 2.9248 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3709 -5.3116 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8340 -2.4956 1.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9010 -3.9096 -0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4295 -5.1059 2.9026 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9300 -6.8765 2.5989 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2618 -6.4046 2.7912 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5582 -6.4097 -0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8015 -8.4937 -1.5815 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5972 -8.6928 1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0964 -10.5022 0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5301 -9.5354 -0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5081 -9.7307 0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3271 -7.3389 1.9554 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6830 -7.5211 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2261 -4.1623 -1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 -3.0729 0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3390 -2.7219 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7189 -5.5531 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 1 6
6 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
14 17 1 0
17 18 1 0
17 19 1 0
19 20 1 0
19 21 1 0
21 22 1 0
9 23 1 0
23 24 1 0
23 25 1 0
25 26 1 0
26 27 1 6
27 28 1 0
28 29 1 0
28 30 1 0
30 31 1 0
31 32 2 0
30 33 1 0
33 34 1 0
33 35 1 0
35 36 2 0
36 37 1 0
37 38 1 6
37 39 1 0
39 40 2 0
40 41 1 0
41 42 2 0
40 43 1 0
43 44 1 0
43 45 1 0
45 46 1 0
46 47 1 6
47 48 1 0
48 49 1 0
48 50 1 0
50 51 1 0
51 52 2 0
50 53 1 0
53 54 1 0
53 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 1 0
61 62 2 0
62 63 1 0
63 64 1 0
64 65 1 0
65 66 1 0
66 67 1 0
67 68 1 0
68 69 1 0
67 70 1 0
70 71 1 0
70 72 1 0
72 73 1 0
72 74 1 0
74 75 1 0
62 76 1 0
76 77 1 0
76 78 1 0
78 79 1 0
79 80 1 1
80 81 1 0
81 82 1 0
81 83 1 0
83 84 1 0
84 85 2 0
83 86 1 0
86 87 1 0
86 88 1 0
88 89 2 0
89 90 1 0
90 91 1 1
90 92 1 0
92 93 2 0
93 94 1 0
94 95 2 0
93 96 1 0
96 97 1 0
96 98 1 0
98 99 1 0
99100 1 6
100101 1 0
101102 1 0
101103 1 0
103104 1 0
104105 2 0
103106 1 0
106107 1 0
106 2 1 0
26 6 1 0
46 37 1 0
79 60 1 0
99 90 1 0
21 12 1 0
31 26 1 0
51 46 1 0
74 65 1 0
84 79 1 0
104 99 1 0
1108 1 0
1109 1 0
1110 1 0
3111 1 0
4112 1 0
5113 1 0
7114 1 0
7115 1 0
7116 1 0
8117 1 0
10118 1 0
10119 1 0
12120 1 1
14121 1 6
15122 1 0
15123 1 0
16124 1 0
17125 1 6
18126 1 0
19127 1 6
20128 1 0
21129 1 1
22130 1 0
23131 1 6
24132 1 0
24133 1 0
24134 1 0
25135 1 0
25136 1 0
28137 1 1
30138 1 1
33139 1 1
34140 1 0
35141 1 0
36142 1 0
38143 1 0
38144 1 0
38145 1 0
39146 1 0
41147 1 0
43148 1 1
44149 1 0
44150 1 0
44151 1 0
45152 1 0
45153 1 0
48154 1 1
50155 1 6
53156 1 1
54157 1 0
56158 1 0
56159 1 0
56160 1 0
57161 1 0
58162 1 0
59163 1 0
60164 1 1
61165 1 0
63166 1 0
63167 1 0
65168 1 6
67169 1 1
68170 1 0
68171 1 0
69172 1 0
70173 1 6
71174 1 0
72175 1 6
73176 1 0
74177 1 6
75178 1 0
76179 1 6
77180 1 0
77181 1 0
77182 1 0
78183 1 0
78184 1 0
81185 1 1
83186 1 6
86187 1 1
87188 1 0
88189 1 0
89190 1 0
91191 1 0
91192 1 0
91193 1 0
92194 1 0
94195 1 0
96196 1 1
97197 1 0
97198 1 0
97199 1 0
98200 1 0
98201 1 0
101202 1 6
103203 1 6
106204 1 1
107205 1 0
M CHG 4 29 -1 49 -1 82 -1 102 -1
M END
PDB for NP0004748 (Quartromicin A1)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 -5.132 -4.494 -1.162 0.00 0.00 C+0 HETATM 2 C UNK 0 -3.909 -3.695 -0.892 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.412 -2.966 -1.876 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.723 -1.714 -1.671 0.00 0.00 C+0 HETATM 5 C UNK 0 -3.294 -0.763 -0.965 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.701 -0.342 -1.167 0.00 0.00 C+0 HETATM 7 C UNK 0 -5.327 -0.946 -2.383 0.00 0.00 C+0 HETATM 8 C UNK 0 -5.587 -0.541 -0.019 0.00 0.00 C+0 HETATM 9 C UNK 0 -6.670 0.228 0.087 0.00 0.00 C+0 HETATM 10 C UNK 0 -7.591 0.050 1.243 0.00 0.00 C+0 HETATM 11 O UNK 0 -8.882 -0.286 0.800 0.00 0.00 O+0 HETATM 12 C UNK 0 -9.779 -0.448 1.826 0.00 0.00 C+0 HETATM 13 O UNK 0 -10.809 0.507 1.771 0.00 0.00 O+0 HETATM 14 C UNK 0 -11.291 0.481 0.457 0.00 0.00 C+0 HETATM 15 C UNK 0 -12.105 1.708 0.134 0.00 0.00 C+0 HETATM 16 O UNK 0 -12.562 1.653 -1.163 0.00 0.00 O+0 HETATM 17 C UNK 0 -12.182 -0.725 0.351 0.00 0.00 C+0 HETATM 18 O UNK 0 -13.345 -0.571 1.098 0.00 0.00 O+0 HETATM 19 C UNK 0 -11.414 -1.965 0.691 0.00 0.00 C+0 HETATM 20 O UNK 0 -12.344 -2.953 1.016 0.00 0.00 O+0 HETATM 21 C UNK 0 -10.456 -1.792 1.851 0.00 0.00 C+0 HETATM 22 O UNK 0 -9.585 -2.855 1.894 0.00 0.00 O+0 HETATM 23 C UNK 0 -7.053 1.280 -0.884 0.00 0.00 C+0 HETATM 24 C UNK 0 -7.722 2.408 -0.106 0.00 0.00 C+0 HETATM 25 C UNK 0 -5.941 1.766 -1.730 0.00 0.00 C+0 HETATM 26 C UNK 0 -4.602 1.173 -1.413 0.00 0.00 C+0 HETATM 27 O UNK 0 -3.759 1.458 -2.454 0.00 0.00 O+0 HETATM 28 C UNK 0 -2.651 2.152 -1.991 0.00 0.00 C+0 HETATM 29 O UNK 0 -2.340 3.140 -2.898 0.00 0.00 O-1 HETATM 30 C UNK 0 -2.841 2.550 -0.591 0.00 0.00 C+0 HETATM 31 C UNK 0 -4.076 1.820 -0.202 0.00 0.00 C+0 HETATM 32 O UNK 0 -4.568 1.761 0.901 0.00 0.00 O+0 HETATM 33 C UNK 0 -2.960 4.037 -0.309 0.00 0.00 C+0 HETATM 34 O UNK 0 -4.263 4.217 0.234 0.00 0.00 O+0 HETATM 35 C UNK 0 -2.889 4.883 -1.488 0.00 0.00 C+0 HETATM 36 C UNK 0 -1.853 5.639 -1.691 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.179 6.372 -0.645 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.027 7.798 -1.268 0.00 0.00 C+0 HETATM 39 C UNK 0 -1.878 6.647 0.596 0.00 0.00 C+0 HETATM 40 C UNK 0 -1.242 7.013 1.691 0.00 0.00 C+0 HETATM 41 C UNK 0 -1.984 7.277 2.906 0.00 0.00 C+0 HETATM 42 O UNK 0 -3.226 7.153 2.901 0.00 0.00 O+0 HETATM 43 C UNK 0 0.240 7.180 1.747 0.00 0.00 C+0 HETATM 44 C UNK 0 0.521 8.571 2.289 0.00 0.00 C+0 HETATM 45 C UNK 0 0.892 7.094 0.388 0.00 0.00 C+0 HETATM 46 C UNK 0 0.283 5.988 -0.442 0.00 0.00 C+0 HETATM 47 O UNK 0 0.882 5.998 -1.678 0.00 0.00 O+0 HETATM 48 C UNK 0 1.526 4.809 -1.892 0.00 0.00 C+0 HETATM 49 O UNK 0 1.272 4.371 -3.210 0.00 0.00 O-1 HETATM 50 C UNK 0 0.905 3.798 -0.978 0.00 0.00 C+0 HETATM 51 C UNK 0 0.504 4.681 0.167 0.00 0.00 C+0 HETATM 52 O UNK 0 0.381 4.401 1.345 0.00 0.00 O+0 HETATM 53 C UNK 0 1.845 2.702 -0.564 0.00 0.00 C+0 HETATM 54 O UNK 0 1.588 1.620 -1.407 0.00 0.00 O+0 HETATM 55 C UNK 0 3.267 3.135 -0.600 0.00 0.00 C+0 HETATM 56 C UNK 0 3.777 4.008 0.454 0.00 0.00 C+0 HETATM 57 C UNK 0 4.067 2.742 -1.571 0.00 0.00 C+0 HETATM 58 C UNK 0 4.034 1.415 -2.158 0.00 0.00 C+0 HETATM 59 C UNK 0 4.007 0.304 -1.440 0.00 0.00 C+0 HETATM 60 C UNK 0 4.634 0.236 -0.119 0.00 0.00 C+0 HETATM 61 C UNK 0 5.874 1.103 -0.120 0.00 0.00 C+0 HETATM 62 C UNK 0 6.938 0.673 -0.792 0.00 0.00 C+0 HETATM 63 C UNK 0 8.143 1.533 -0.786 0.00 0.00 C+0 HETATM 64 O UNK 0 9.270 0.930 -0.246 0.00 0.00 O+0 HETATM 65 C UNK 0 10.373 1.760 -0.259 0.00 0.00 C+0 HETATM 66 O UNK 0 10.936 2.003 0.968 0.00 0.00 O+0 HETATM 67 C UNK 0 11.373 0.888 1.632 0.00 0.00 C+0 HETATM 68 C UNK 0 12.647 1.258 2.381 0.00 0.00 C+0 HETATM 69 O UNK 0 13.634 1.694 1.506 0.00 0.00 O+0 HETATM 70 C UNK 0 11.559 -0.332 0.794 0.00 0.00 C+0 HETATM 71 O UNK 0 12.496 -1.149 1.422 0.00 0.00 O+0 HETATM 72 C UNK 0 12.076 -0.041 -0.598 0.00 0.00 C+0 HETATM 73 O UNK 0 13.458 0.055 -0.542 0.00 0.00 O+0 HETATM 74 C UNK 0 11.428 1.197 -1.182 0.00 0.00 C+0 HETATM 75 O UNK 0 10.938 0.916 -2.438 0.00 0.00 O+0 HETATM 76 C UNK 0 6.802 -0.622 -1.465 0.00 0.00 C+0 HETATM 77 C UNK 0 8.102 -1.176 -1.992 0.00 0.00 C+0 HETATM 78 C UNK 0 6.339 -1.603 -0.380 0.00 0.00 C+0 HETATM 79 C UNK 0 5.091 -1.111 0.322 0.00 0.00 C+0 HETATM 80 O UNK 0 5.401 -1.015 1.675 0.00 0.00 O+0 HETATM 81 C UNK 0 4.936 -2.115 2.342 0.00 0.00 C+0 HETATM 82 O UNK 0 3.906 -1.753 3.196 0.00 0.00 O-1 HETATM 83 C UNK 0 4.517 -3.125 1.298 0.00 0.00 C+0 HETATM 84 C UNK 0 4.101 -2.202 0.213 0.00 0.00 C+0 HETATM 85 O UNK 0 3.173 -2.402 -0.511 0.00 0.00 O+0 HETATM 86 C UNK 0 3.395 -4.022 1.803 0.00 0.00 C+0 HETATM 87 O UNK 0 3.791 -5.290 1.452 0.00 0.00 O+0 HETATM 88 C UNK 0 2.147 -3.541 1.218 0.00 0.00 C+0 HETATM 89 C UNK 0 1.375 -4.320 0.517 0.00 0.00 C+0 HETATM 90 C UNK 0 1.121 -5.721 0.901 0.00 0.00 C+0 HETATM 91 C UNK 0 1.240 -6.045 2.342 0.00 0.00 C+0 HETATM 92 C UNK 0 1.756 -6.704 -0.015 0.00 0.00 C+0 HETATM 93 C UNK 0 1.320 -7.965 -0.065 0.00 0.00 C+0 HETATM 94 C UNK 0 1.990 -8.862 -0.980 0.00 0.00 C+0 HETATM 95 O UNK 0 1.697 -10.067 -1.135 0.00 0.00 O+0 HETATM 96 C UNK 0 0.174 -8.362 0.813 0.00 0.00 C+0 HETATM 97 C UNK 0 -0.465 -9.590 0.200 0.00 0.00 C+0 HETATM 98 C UNK 0 -0.852 -7.266 0.960 0.00 0.00 C+0 HETATM 99 C UNK 0 -0.388 -5.906 0.572 0.00 0.00 C+0 HETATM 100 O UNK 0 -0.483 -5.654 -0.768 0.00 0.00 O+0 HETATM 101 C UNK 0 -1.550 -4.798 -1.000 0.00 0.00 C+0 HETATM 102 O UNK 0 -2.607 -5.572 -1.419 0.00 0.00 O-1 HETATM 103 C UNK 0 -1.801 -4.024 0.261 0.00 0.00 C+0 HETATM 104 C UNK 0 -1.200 -4.901 1.292 0.00 0.00 C+0 HETATM 105 O UNK 0 -1.373 -4.773 2.475 0.00 0.00 O+0 HETATM 106 C UNK 0 -3.255 -3.723 0.461 0.00 0.00 C+0 HETATM 107 O UNK 0 -3.937 -4.615 1.240 0.00 0.00 O+0 HETATM 108 H UNK 0 -5.185 -5.409 -0.502 0.00 0.00 H+0 HETATM 109 H UNK 0 -6.070 -3.938 -0.933 0.00 0.00 H+0 HETATM 110 H UNK 0 -5.158 -4.750 -2.222 0.00 0.00 H+0 HETATM 111 H UNK 0 -3.539 -3.391 -2.886 0.00 0.00 H+0 HETATM 112 H UNK 0 -1.716 -1.530 -2.113 0.00 0.00 H+0 HETATM 113 H UNK 0 -2.701 -0.257 -0.214 0.00 0.00 H+0 HETATM 114 H UNK 0 -4.616 -1.098 -3.218 0.00 0.00 H+0 HETATM 115 H UNK 0 -5.898 -1.892 -2.159 0.00 0.00 H+0 HETATM 116 H UNK 0 -6.113 -0.258 -2.753 0.00 0.00 H+0 HETATM 117 H UNK 0 -5.373 -1.295 0.730 0.00 0.00 H+0 HETATM 118 H UNK 0 -7.234 -0.757 1.924 0.00 0.00 H+0 HETATM 119 H UNK 0 -7.692 0.962 1.849 0.00 0.00 H+0 HETATM 120 H UNK 0 -9.280 -0.294 2.802 0.00 0.00 H+0 HETATM 121 H UNK 0 -10.446 0.360 -0.238 0.00 0.00 H+0 HETATM 122 H UNK 0 -11.448 2.611 0.221 0.00 0.00 H+0 HETATM 123 H UNK 0 -12.950 1.850 0.806 0.00 0.00 H+0 HETATM 124 H UNK 0 -12.392 2.515 -1.648 0.00 0.00 H+0 HETATM 125 H UNK 0 -12.511 -0.835 -0.721 0.00 0.00 H+0 HETATM 126 H UNK 0 -14.145 -0.862 0.593 0.00 0.00 H+0 HETATM 127 H UNK 0 -10.867 -2.290 -0.218 0.00 0.00 H+0 HETATM 128 H UNK 0 -11.864 -3.776 1.301 0.00 0.00 H+0 HETATM 129 H UNK 0 -11.106 -1.788 2.773 0.00 0.00 H+0 HETATM 130 H UNK 0 -9.848 -3.446 2.641 0.00 0.00 H+0 HETATM 131 H UNK 0 -7.851 0.853 -1.533 0.00 0.00 H+0 HETATM 132 H UNK 0 -7.194 2.646 0.818 0.00 0.00 H+0 HETATM 133 H UNK 0 -7.711 3.295 -0.776 0.00 0.00 H+0 HETATM 134 H UNK 0 -8.787 2.174 0.104 0.00 0.00 H+0 HETATM 135 H UNK 0 -5.833 2.870 -1.536 0.00 0.00 H+0 HETATM 136 H UNK 0 -6.169 1.748 -2.838 0.00 0.00 H+0 HETATM 137 H UNK 0 -1.800 1.407 -2.089 0.00 0.00 H+0 HETATM 138 H UNK 0 -2.027 2.075 0.035 0.00 0.00 H+0 HETATM 139 H UNK 0 -2.293 4.246 0.521 0.00 0.00 H+0 HETATM 140 H UNK 0 -4.272 4.091 1.200 0.00 0.00 H+0 HETATM 141 H UNK 0 -3.753 4.835 -2.175 0.00 0.00 H+0 HETATM 142 H UNK 0 -1.472 5.727 -2.731 0.00 0.00 H+0 HETATM 143 H UNK 0 -1.002 8.567 -0.488 0.00 0.00 H+0 HETATM 144 H UNK 0 -1.963 8.016 -1.856 0.00 0.00 H+0 HETATM 145 H UNK 0 -0.186 7.804 -1.961 0.00 0.00 H+0 HETATM 146 H UNK 0 -2.947 6.558 0.633 0.00 0.00 H+0 HETATM 147 H UNK 0 -1.498 7.576 3.814 0.00 0.00 H+0 HETATM 148 H UNK 0 0.677 6.468 2.451 0.00 0.00 H+0 HETATM 149 H UNK 0 0.657 8.566 3.388 0.00 0.00 H+0 HETATM 150 H UNK 0 1.454 8.992 1.847 0.00 0.00 H+0 HETATM 151 H UNK 0 -0.300 9.276 1.975 0.00 0.00 H+0 HETATM 152 H UNK 0 0.918 8.054 -0.156 0.00 0.00 H+0 HETATM 153 H UNK 0 1.962 6.839 0.576 0.00 0.00 H+0 HETATM 154 H UNK 0 2.630 4.855 -1.815 0.00 0.00 H+0 HETATM 155 H UNK 0 -0.014 3.413 -1.467 0.00 0.00 H+0 HETATM 156 H UNK 0 1.614 2.410 0.479 0.00 0.00 H+0 HETATM 157 H UNK 0 1.392 1.920 -2.318 0.00 0.00 H+0 HETATM 158 H UNK 0 4.712 4.514 0.139 0.00 0.00 H+0 HETATM 159 H UNK 0 3.051 4.750 0.819 0.00 0.00 H+0 HETATM 160 H UNK 0 4.079 3.345 1.312 0.00 0.00 H+0 HETATM 161 H UNK 0 4.779 3.476 -1.946 0.00 0.00 H+0 HETATM 162 H UNK 0 4.036 1.289 -3.241 0.00 0.00 H+0 HETATM 163 H UNK 0 3.505 -0.541 -1.874 0.00 0.00 H+0 HETATM 164 H UNK 0 3.926 0.626 0.627 0.00 0.00 H+0 HETATM 165 H UNK 0 5.866 2.037 0.421 0.00 0.00 H+0 HETATM 166 H UNK 0 8.324 1.872 -1.848 0.00 0.00 H+0 HETATM 167 H UNK 0 7.988 2.469 -0.211 0.00 0.00 H+0 HETATM 168 H UNK 0 10.046 2.719 -0.713 0.00 0.00 H+0 HETATM 169 H UNK 0 10.639 0.620 2.449 0.00 0.00 H+0 HETATM 170 H UNK 0 12.439 2.038 3.129 0.00 0.00 H+0 HETATM 171 H UNK 0 13.072 0.389 2.921 0.00 0.00 H+0 HETATM 172 H UNK 0 13.516 2.678 1.422 0.00 0.00 H+0 HETATM 173 H UNK 0 10.619 -0.950 0.723 0.00 0.00 H+0 HETATM 174 H UNK 0 13.428 -0.834 1.288 0.00 0.00 H+0 HETATM 175 H UNK 0 11.829 -0.914 -1.235 0.00 0.00 H+0 HETATM 176 H UNK 0 13.780 0.702 -1.211 0.00 0.00 H+0 HETATM 177 H UNK 0 12.225 1.972 -1.259 0.00 0.00 H+0 HETATM 178 H UNK 0 11.437 0.142 -2.830 0.00 0.00 H+0 HETATM 179 H UNK 0 6.096 -0.628 -2.320 0.00 0.00 H+0 HETATM 180 H UNK 0 7.825 -2.136 -2.519 0.00 0.00 H+0 HETATM 181 H UNK 0 8.813 -1.461 -1.203 0.00 0.00 H+0 HETATM 182 H UNK 0 8.540 -0.539 -2.788 0.00 0.00 H+0 HETATM 183 H UNK 0 7.208 -1.690 0.311 0.00 0.00 H+0 HETATM 184 H UNK 0 6.203 -2.569 -0.898 0.00 0.00 H+0 HETATM 185 H UNK 0 5.767 -2.507 2.971 0.00 0.00 H+0 HETATM 186 H UNK 0 5.438 -3.688 1.038 0.00 0.00 H+0 HETATM 187 H UNK 0 3.436 -3.867 2.925 0.00 0.00 H+0 HETATM 188 H UNK 0 4.371 -5.312 0.650 0.00 0.00 H+0 HETATM 189 H UNK 0 1.834 -2.496 1.365 0.00 0.00 H+0 HETATM 190 H UNK 0 0.901 -3.910 -0.387 0.00 0.00 H+0 HETATM 191 H UNK 0 1.430 -5.106 2.903 0.00 0.00 H+0 HETATM 192 H UNK 0 1.930 -6.877 2.599 0.00 0.00 H+0 HETATM 193 H UNK 0 0.262 -6.405 2.791 0.00 0.00 H+0 HETATM 194 H UNK 0 2.558 -6.410 -0.646 0.00 0.00 H+0 HETATM 195 H UNK 0 2.801 -8.494 -1.581 0.00 0.00 H+0 HETATM 196 H UNK 0 0.597 -8.693 1.787 0.00 0.00 H+0 HETATM 197 H UNK 0 0.096 -10.502 0.458 0.00 0.00 H+0 HETATM 198 H UNK 0 -0.530 -9.535 -0.909 0.00 0.00 H+0 HETATM 199 H UNK 0 -1.508 -9.731 0.579 0.00 0.00 H+0 HETATM 200 H UNK 0 -1.327 -7.339 1.955 0.00 0.00 H+0 HETATM 201 H UNK 0 -1.683 -7.521 0.235 0.00 0.00 H+0 HETATM 202 H UNK 0 -1.226 -4.162 -1.864 0.00 0.00 H+0 HETATM 203 H UNK 0 -1.227 -3.073 0.289 0.00 0.00 H+0 HETATM 204 H UNK 0 -3.339 -2.722 0.955 0.00 0.00 H+0 HETATM 205 H UNK 0 -3.719 -5.553 1.133 0.00 0.00 H+0 CONECT 1 2 108 109 110 CONECT 2 1 3 106 CONECT 3 2 4 111 CONECT 4 3 5 112 CONECT 5 4 6 113 CONECT 6 5 7 8 26 CONECT 7 6 114 115 116 CONECT 8 6 9 117 CONECT 9 8 10 23 CONECT 10 9 11 118 119 CONECT 11 10 12 CONECT 12 11 13 21 120 CONECT 13 12 14 CONECT 14 13 15 17 121 CONECT 15 14 16 122 123 CONECT 16 15 124 CONECT 17 14 18 19 125 CONECT 18 17 126 CONECT 19 17 20 21 127 CONECT 20 19 128 CONECT 21 19 22 12 129 CONECT 22 21 130 CONECT 23 9 24 25 131 CONECT 24 23 132 133 134 CONECT 25 23 26 135 136 CONECT 26 25 27 6 31 CONECT 27 26 28 CONECT 28 27 29 30 137 CONECT 29 28 CONECT 30 28 31 33 138 CONECT 31 30 32 26 CONECT 32 31 CONECT 33 30 34 35 139 CONECT 34 33 140 CONECT 35 33 36 141 CONECT 36 35 37 142 CONECT 37 36 38 39 46 CONECT 38 37 143 144 145 CONECT 39 37 40 146 CONECT 40 39 41 43 CONECT 41 40 42 147 CONECT 42 41 CONECT 43 40 44 45 148 CONECT 44 43 149 150 151 CONECT 45 43 46 152 153 CONECT 46 45 47 37 51 CONECT 47 46 48 CONECT 48 47 49 50 154 CONECT 49 48 CONECT 50 48 51 53 155 CONECT 51 50 52 46 CONECT 52 51 CONECT 53 50 54 55 156 CONECT 54 53 157 CONECT 55 53 56 57 CONECT 56 55 158 159 160 CONECT 57 55 58 161 CONECT 58 57 59 162 CONECT 59 58 60 163 CONECT 60 59 61 79 164 CONECT 61 60 62 165 CONECT 62 61 63 76 CONECT 63 62 64 166 167 CONECT 64 63 65 CONECT 65 64 66 74 168 CONECT 66 65 67 CONECT 67 66 68 70 169 CONECT 68 67 69 170 171 CONECT 69 68 172 CONECT 70 67 71 72 173 CONECT 71 70 174 CONECT 72 70 73 74 175 CONECT 73 72 176 CONECT 74 72 75 65 177 CONECT 75 74 178 CONECT 76 62 77 78 179 CONECT 77 76 180 181 182 CONECT 78 76 79 183 184 CONECT 79 78 80 60 84 CONECT 80 79 81 CONECT 81 80 82 83 185 CONECT 82 81 CONECT 83 81 84 86 186 CONECT 84 83 85 79 CONECT 85 84 CONECT 86 83 87 88 187 CONECT 87 86 188 CONECT 88 86 89 189 CONECT 89 88 90 190 CONECT 90 89 91 92 99 CONECT 91 90 191 192 193 CONECT 92 90 93 194 CONECT 93 92 94 96 CONECT 94 93 95 195 CONECT 95 94 CONECT 96 93 97 98 196 CONECT 97 96 197 198 199 CONECT 98 96 99 200 201 CONECT 99 98 100 90 104 CONECT 100 99 101 CONECT 101 100 102 103 202 CONECT 102 101 CONECT 103 101 104 106 203 CONECT 104 103 105 99 CONECT 105 104 CONECT 106 103 107 2 204 CONECT 107 106 205 CONECT 108 1 CONECT 109 1 CONECT 110 1 CONECT 111 3 CONECT 112 4 CONECT 113 5 CONECT 114 7 CONECT 115 7 CONECT 116 7 CONECT 117 8 CONECT 118 10 CONECT 119 10 CONECT 120 12 CONECT 121 14 CONECT 122 15 CONECT 123 15 CONECT 124 16 CONECT 125 17 CONECT 126 18 CONECT 127 19 CONECT 128 20 CONECT 129 21 CONECT 130 22 CONECT 131 23 CONECT 132 24 CONECT 133 24 CONECT 134 24 CONECT 135 25 CONECT 136 25 CONECT 137 28 CONECT 138 30 CONECT 139 33 CONECT 140 34 CONECT 141 35 CONECT 142 36 CONECT 143 38 CONECT 144 38 CONECT 145 38 CONECT 146 39 CONECT 147 41 CONECT 148 43 CONECT 149 44 CONECT 150 44 CONECT 151 44 CONECT 152 45 CONECT 153 45 CONECT 154 48 CONECT 155 50 CONECT 156 53 CONECT 157 54 CONECT 158 56 CONECT 159 56 CONECT 160 56 CONECT 161 57 CONECT 162 58 CONECT 163 59 CONECT 164 60 CONECT 165 61 CONECT 166 63 CONECT 167 63 CONECT 168 65 CONECT 169 67 CONECT 170 68 CONECT 171 68 CONECT 172 69 CONECT 173 70 CONECT 174 71 CONECT 175 72 CONECT 176 73 CONECT 177 74 CONECT 178 75 CONECT 179 76 CONECT 180 77 CONECT 181 77 CONECT 182 77 CONECT 183 78 CONECT 184 78 CONECT 185 81 CONECT 186 83 CONECT 187 86 CONECT 188 87 CONECT 189 88 CONECT 190 89 CONECT 191 91 CONECT 192 91 CONECT 193 91 CONECT 194 92 CONECT 195 94 CONECT 196 96 CONECT 197 97 CONECT 198 97 CONECT 199 97 CONECT 200 98 CONECT 201 98 CONECT 202 101 CONECT 203 103 CONECT 204 106 CONECT 205 107 MASTER 0 0 0 0 0 0 0 0 205 0 430 0 END SMILES for NP0004748 (Quartromicin A1)[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OC([H])([H])C2=C([H])[C@@]3([H])\C([H])=C(\[H])/C(/[H])=C(C([H])([H])[H])\[C@]([H])(O[H])[C@@]4([H])C(=O)[C@]5(O[C@]4([H])[O-])C([H])([H])[C@]([H])(C(C([H])=O)=C([H])[C@@]5(\C([H])=C([H])/[C@@]([H])(O[H])[C@@]4([H])C(=O)[C@]5(O[C@@]4([H])[O-])C([H])([H])[C@@]([H])(C(=C([H])[C@@]5(\C([H])=C(\[H])/C(/[H])=C(C([H])([H])[H])\[C@@]([H])(O[H])[C@@]4([H])C(=O)[C@]5(O[C@@]4([H])[O-])C([H])([H])[C@]([H])(C(C([H])=O)=C([H])[C@]5(\C([H])=C([H])/[C@@]([H])(O[H])[C@@]4([H])C(=O)[C@@]3(O[C@@]4([H])[O-])C([H])([H])[C@]2([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H] INCHI for NP0004748 (Quartromicin A1)InChI=1S/C77H98O30/c1-34-12-10-14-44-20-40(32-100-69-59(90)57(88)55(86)47(30-80)102-69)36(3)21-74(44)61(92)49(65(96)104-74)45(82)15-18-72(8)25-41(28-78)38(5)23-77(72)64(95)52(68(99)107-77)54(85)35(2)13-11-17-71(7)27-43(33-101-70-60(91)58(89)56(87)48(31-81)103-70)39(6)24-75(71)62(93)50(66(97)105-75)46(83)16-19-73(9)26-42(29-79)37(4)22-76(73)63(94)51(53(34)84)67(98)106-76/h10-20,25-29,36-39,44-60,65-70,80-91H,21-24,30-33H2,1-9H3/q-4/b14-10-,17-11-,18-15-,19-16-,34-12-,35-13-/t36-,37+,38+,39-,44+,45+,46+,47+,48+,49-,50-,51-,52-,53-,54+,55-,56-,57-,58-,59+,60+,65+,66+,67-,68+,69-,70-,71-,72+,73-,74+,75+,76+,77+/m0/s1 3D Structure for NP0004748 (Quartromicin A1) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C77H98O30 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1503.6030 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1502.61649 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (1S,3R,6S,7Z,9R,10R,11R,13S,15S,18S,19Z,21Z,23S,24R,25R,27S,29R,32R,33Z,35R,36R,37R,39R,41S,44R,45Z,47Z,49R,50R,51S)-4,30-diformyl-9,23,35,49-tetrahydroxy-3,6,15,18,22,29,32,41,48-nonamethyl-53,54,55,56-tetraoxo-16,42-bis({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-12,26,38,52-tetraoxanonacyclo[48.2.1.1^{10,13}.1^{24,27}.1^{36,39}.0^{1,6}.0^{13,18}.0^{27,32}.0^{39,44}]hexapentaconta-4,7,16,19,21,30,33,42,45,47-decaene-11,25,37,51-tetrakis(olate) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (1S,3R,6S,7Z,9R,10R,11R,13S,15S,18S,19Z,21Z,23S,24R,25R,27S,29R,32R,33Z,35R,36R,37R,39R,41S,44R,45Z,47Z,49R,50R,51S)-4,30-diformyl-9,23,35,49-tetrahydroxy-3,6,15,18,22,29,32,41,48-nonamethyl-53,54,55,56-tetraoxo-16,42-bis({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-12,26,38,52-tetraoxanonacyclo[48.2.1.1^{10,13}.1^{24,27}.1^{36,39}.0^{1,6}.0^{13,18}.0^{27,32}.0^{39,44}]hexapentaconta-4,7,16,19,21,30,33,42,45,47-decaene-11,25,37,51-tetrakis(olate) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC1CC23OC([O-])C(C(O)\C=C/C4(C)C=C(C=O)C(C)CC44OC([O-])C(C(O)\C(C)=C/C=C\C5(C)C=C(CO[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)CC55OC([O-])C(C(O)\C=C/C6(C)C=C(C=O)C(C)CC66OC([O-])C(C(O)\C(C)=C/C=C\C2C=C1CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C6=O)C5=O)C4=O)C3=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C77H98O30/c1-34-12-10-14-44-20-40(32-100-69-59(90)57(88)55(86)47(30-80)102-69)36(3)21-74(44)61(92)49(65(96)104-74)45(82)15-18-72(8)25-41(28-78)38(5)23-77(72)64(95)52(68(99)107-77)54(85)35(2)13-11-17-71(7)27-43(33-101-70-60(91)58(89)56(87)48(31-81)103-70)39(6)24-75(71)62(93)50(66(97)105-75)46(83)16-19-73(9)26-42(29-79)37(4)22-76(73)63(94)51(53(34)84)67(98)106-76/h10-20,25-29,36-39,44-60,65-70,80-91H,21-24,30-33H2,1-9H3/q-4/b14-10-,17-11-,18-15-,19-16-,34-12-,35-13-/t36?,37?,38?,39?,44?,45?,46?,47-,48-,49?,50?,51?,52?,53?,54?,55+,56+,57+,58+,59-,60-,65?,66?,67?,68?,69+,70+,71?,72?,73?,74?,75?,76?,77?/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | JJNPIRKBXBBKHB-UVFZGITFSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
