HMDB0038778 RDKit 3D Batatasin I 37 39 0 0 0 0 0 0 0 0999 V2000 -5.5136 1.1481 -0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7852 -0.0385 -0.2774 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3833 -0.0744 -0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6966 -1.2649 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3103 -1.2645 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7192 -2.4807 -0.2567 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3674 -3.7097 -0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6546 -0.0763 -0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3483 1.1179 0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7062 2.3141 0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6521 2.3946 0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3506 1.2111 0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7312 1.2322 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4885 0.0919 0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8595 0.1513 0.2903 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5787 1.3551 0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8878 -1.1089 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5623 -2.3191 0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 -1.1876 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7435 -0.0459 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7203 1.1262 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4255 1.6143 0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5700 0.9629 -0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1206 1.9245 -0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2665 -2.1835 -0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6735 -3.8674 -1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2339 -3.8241 0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6193 -4.5073 -0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2758 3.2344 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1978 3.3106 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1949 2.2201 0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6578 1.1123 0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 1.9680 -0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3105 1.8731 1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5642 -2.3112 0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0451 -2.1520 -0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2994 2.0531 -0.0110 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 4 5 1 0 5 6 1 0 6 7 1 0 5 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 9 21 2 0 21 3 1 0 20 8 1 0 20 12 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 7 26 1 0 7 27 1 0 7 28 1 0 10 29 1 0 11 30 1 0 13 31 1 0 16 32 1 0 16 33 1 0 16 34 1 0 18 35 1 0 19 36 1 0 21 37 1 0 M END