HMDB0039126 RDKit 3D Wybutoxine 49 51 0 0 0 0 0 0 0 0999 V2000 4.3659 -0.0886 -4.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7768 0.4658 -2.9664 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4956 -0.3682 -1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7876 -1.5937 -2.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9006 0.1321 -0.6969 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6046 -0.7105 0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2619 -0.2556 1.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9734 0.7796 1.6597 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 -0.9333 2.8636 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7738 -0.4457 4.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1027 -0.9136 0.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4379 0.4219 0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0169 0.3623 0.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 0.0931 2.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1771 -0.1924 3.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0742 0.1344 1.7166 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1822 0.4277 0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3076 0.5681 -0.3089 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6281 0.4227 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2006 0.8629 -1.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0933 1.0701 -2.6180 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4171 1.3359 -3.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0935 1.3069 -3.5098 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9578 1.0170 -2.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8438 0.8605 -1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7026 0.9992 -1.9348 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9343 0.5678 -0.1097 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9513 -1.7211 1.7158 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -2.8885 1.3163 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2102 -0.7450 -3.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6537 -0.7083 -4.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8241 0.6740 -4.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6953 1.1771 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 -1.7463 0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6272 0.6618 4.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8567 -0.6045 4.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3379 -0.9416 4.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7854 -1.4952 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7615 1.0539 -0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8756 0.9210 1.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7296 0.4234 4.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1183 0.1814 3.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2871 -1.2365 3.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6164 0.3457 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2031 -0.4283 -0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2328 1.3457 0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8585 1.5460 -4.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2903 1.4644 -4.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0551 -3.6055 1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 6 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 11 28 1 0 28 29 1 0 27 13 1 0 27 17 1 0 24 20 2 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 0 6 34 1 0 10 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 15 41 1 0 15 42 1 0 15 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 22 47 1 0 23 48 1 0 29 49 1 0 M END