HMDB0061039 RDKit 3D modafinil acid 33 34 0 0 0 0 0 0 0 0999 V2000 -3.1128 -3.5862 -0.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6758 -2.4154 -0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2307 -1.4352 0.0878 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5987 -2.1287 -1.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1496 -0.4076 -1.7158 S 0 0 0 0 0 4 0 0 0 0 0 0 -2.3419 0.4541 -2.0712 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5517 0.0493 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6409 -0.7464 0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8688 -1.1202 1.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9679 -1.8579 2.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8757 -2.2382 1.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6604 -1.8722 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5681 -1.1410 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2518 1.5085 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2563 2.2085 -1.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5127 3.5535 -0.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2868 4.2396 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2175 3.5568 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4775 2.2023 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2225 -1.6160 1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0276 -2.3831 -2.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7412 -2.7659 -1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3582 -0.1555 0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -0.7882 2.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -2.1164 3.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 -2.8235 1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3893 -2.1793 -1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4068 -0.8554 -1.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 1.6738 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9077 4.0924 -1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 5.3156 0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 4.0883 2.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8774 1.6898 2.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 7 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 13 8 1 0 19 14 1 0 3 20 1 0 4 21 1 0 4 22 1 0 7 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 15 29 1 0 16 30 1 0 17 31 1 0 18 32 1 0 19 33 1 0 M END