@MOLECULE 5-amino-4-hydroxy-3-{[(1r,2s,4as,8as)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]methyl}-1,2-benzoquinone 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9073 -2.1953 -1.3689 O.2 1 UNL1111111111 -0.4996 2 O 3.0978 1.8814 -0.6560 O.2 1 UNL1111111111 -0.3696 3 O 3.6811 0.9327 1.9451 O.2 1 UNL1111111111 -0.3900 4 N 2.7333 -3.3432 0.1173 N.pl3 1 UNL1111111111 -0.5714 5 C -1.3915 -0.0451 -0.4112 C.3 1 UNL1111111111 -0.1515 6 C -0.6476 1.2132 -0.9422 C.3 1 UNL1111111111 0.0814 7 C -2.5273 0.2114 0.6272 C.3 1 UNL1111111111 0.0663 8 C -0.2219 2.1098 0.2537 C.3 1 UNL1111111111 -0.0945 9 C -1.9683 1.1019 1.7556 C.3 1 UNL1111111111 -0.2946 10 C -1.3933 2.4040 1.2018 C.3 1 UNL1111111111 -0.2779 11 C -1.9400 -0.9317 -1.5454 C.3 1 UNL1111111111 -0.2791 12 C -2.9402 -1.1542 1.1574 C.2 1 UNL1111111111 0.0358 13 C 0.6472 0.7657 -1.7085 C.3 1 UNL1111111111 -0.2915 14 C -1.4943 1.9979 -1.9535 C.3 1 UNL1111111111 -0.4655 15 C -2.3522 -2.2990 -0.9874 C.3 1 UNL1111111111 -0.2711 16 C -3.7960 0.8712 0.0608 C.3 1 UNL1111111111 -0.4562 17 C -3.4061 -2.1312 0.1136 C.3 1 UNL1111111111 -0.2890 18 C 0.3949 3.4438 -0.1821 C.3 1 UNL1111111111 -0.4563 19 C 1.6395 0.0356 -0.8766 C.2 1 UNL1111111111 -0.2427 20 C -2.9287 -1.5038 2.4451 C.2 1 UNL1111111111 -0.3912 21 C 1.6961 -1.3038 -0.7328 C.2 1 UNL1111111111 0.2281 22 C 2.6914 0.8405 -0.2137 C.2 1 UNL1111111111 0.3644 23 C 2.6577 -1.9816 0.1780 C.2 1 UNL1111111111 0.3042 24 C 3.3087 0.2196 1.0489 C.2 1 UNL1111111111 0.4040 25 C 3.3957 -1.2258 1.0405 C.2 1 UNL1111111111 -0.5113 26 H -0.6221 -0.6404 0.1523 H 1 UNL1111111111 0.1479 27 H 0.5471 1.5439 0.8397 H 1 UNL1111111111 0.1390 28 H -1.1791 0.5568 2.3104 H 1 UNL1111111111 0.1472 29 H -2.7651 1.3221 2.4905 H 1 UNL1111111111 0.1410 30 H -2.1723 2.9942 0.6878 H 1 UNL1111111111 0.1371 31 H -1.0426 3.0415 2.0370 H 1 UNL1111111111 0.1411 32 H -1.1915 -1.0602 -2.3536 H 1 UNL1111111111 0.1124 33 H -2.8056 -0.4432 -2.0330 H 1 UNL1111111111 0.1520 34 H 1.1303 1.6844 -2.1252 H 1 UNL1111111111 0.1819 35 H 0.3641 0.1848 -2.6058 H 1 UNL1111111111 0.1349 36 H -2.3735 2.4429 -1.4748 H 1 UNL1111111111 0.1532 37 H -0.9254 2.8212 -2.4022 H 1 UNL1111111111 0.1509 38 H -1.8519 1.3692 -2.7733 H 1 UNL1111111111 0.1377 39 H -1.4700 -2.8286 -0.5764 H 1 UNL1111111111 0.1437 40 H -2.7478 -2.9412 -1.7950 H 1 UNL1111111111 0.1347 41 H -3.6269 1.9233 -0.1934 H 1 UNL1111111111 0.1507 42 H -4.1555 0.3718 -0.8433 H 1 UNL1111111111 0.1440 43 H -4.6067 0.8424 0.7990 H 1 UNL1111111111 0.1486 44 H -3.6360 -3.1180 0.5625 H 1 UNL1111111111 0.1443 45 H -4.3641 -1.7799 -0.3222 H 1 UNL1111111111 0.1510 46 H -0.3379 4.1015 -0.6570 H 1 UNL1111111111 0.1386 47 H 0.8085 3.9796 0.6816 H 1 UNL1111111111 0.1490 48 H 1.2263 3.3032 -0.8844 H 1 UNL1111111111 0.1602 49 H -2.6237 -0.8642 3.2553 H 1 UNL1111111111 0.1527 50 H -3.2303 -2.4768 2.7972 H 1 UNL1111111111 0.1456 51 H 4.0614 -1.6646 1.7760 H 1 UNL1111111111 0.1914 52 H 0.1750 -1.7500 -1.8970 H 1 UNL1111111111 0.3609 53 H 3.3276 -3.8505 0.7364 H 1 UNL1111111111 0.3080 54 H 2.1245 -3.8668 -0.4770 H 1 UNL1111111111 0.3190 @BOND 1 1 21 1 2 1 52 1 3 2 22 2 4 3 24 2 5 4 23 1 6 4 53 1 7 4 54 1 8 5 6 1 9 5 7 1 10 5 11 1 11 5 26 1 12 6 8 1 13 6 13 1 14 6 14 1 15 7 9 1 16 7 12 1 17 7 16 1 18 8 10 1 19 8 18 1 20 8 27 1 21 9 10 1 22 9 28 1 23 9 29 1 24 10 30 1 25 10 31 1 26 11 15 1 27 11 32 1 28 11 33 1 29 12 17 1 30 12 20 2 31 13 19 1 32 13 34 1 33 13 35 1 34 14 36 1 35 14 37 1 36 14 38 1 37 15 17 1 38 15 39 1 39 15 40 1 40 16 41 1 41 16 42 1 42 16 43 1 43 17 44 1 44 17 45 1 45 18 46 1 46 18 47 1 47 18 48 1 48 19 21 2 49 19 22 1 50 20 49 1 51 20 50 1 52 21 23 1 53 22 24 1 54 23 25 2 55 24 25 1 56 25 51 1