HMDB0036900 RDKit 3D Gibberellin A66 53 56 0 0 0 0 0 0 0 0999 V2000 4.5608 1.5547 0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4522 0.8609 0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3074 -0.5770 0.5967 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1002 -1.3937 -0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6586 -1.8123 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.6345 -0.8583 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7011 -0.9331 -0.5956 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9549 -2.1328 0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 -2.2808 1.3172 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6914 -3.3602 -0.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4829 -1.0936 -1.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9066 -1.3561 -1.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4855 -0.2009 -0.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6011 0.4230 0.3461 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0695 1.8989 0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9679 -0.0501 1.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9914 -0.8087 1.7954 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 0.2491 2.8423 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1944 0.3763 -0.0590 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1509 0.8196 0.8903 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0021 2.2948 0.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4089 2.9591 -0.1185 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 2.9538 1.9335 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 0.2359 0.3041 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9566 -0.4815 1.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0983 1.2981 -0.1804 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1508 1.2966 -1.5968 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4968 1.1295 0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5483 2.5988 0.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0935 -0.9544 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7121 -2.3177 -0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4573 -0.8073 -1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -2.2358 -1.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -2.5676 -0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8388 -0.0671 -1.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -3.4560 -1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -1.9318 -2.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4392 -0.1241 -2.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9364 -2.2430 -0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5063 -1.5221 -2.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8641 0.5362 -1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4033 -0.5612 -0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6883 2.4228 1.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9875 2.3672 -0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1928 1.7826 0.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8906 -0.4851 3.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1066 1.0880 -0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 0.4178 1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4751 3.9329 2.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6718 -1.4898 1.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 0.1995 2.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 2.3095 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9377 1.8726 -1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 1 8 9 2 0 8 10 1 0 7 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 1 16 17 2 0 16 18 1 0 14 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 20 24 1 0 24 25 1 1 24 26 1 0 26 27 1 0 26 2 1 0 25 3 1 0 24 6 1 0 19 7 1 0 1 28 1 0 1 29 1 0 3 30 1 1 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 6 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 15 43 1 0 15 44 1 0 15 45 1 0 18 46 1 0 19 47 1 6 20 48 1 1 23 49 1 0 25 50 1 0 25 51 1 0 26 52 1 1 27 53 1 0 M END