HMDB0042008 RDKit 3D Ritalinic acid 33 34 0 0 0 0 0 0 0 0999 V2000 -0.0195 -1.7541 -2.7914 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2479 -1.6705 -1.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5988 -2.8092 -0.8934 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1949 -0.3795 -0.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -0.0659 -0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 1.0770 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4732 1.3585 -0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 0.5381 0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4068 -0.5951 1.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1489 -0.8881 0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8371 -0.5185 0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9682 0.7329 1.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1059 1.6124 0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3781 0.8218 0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9772 -0.1106 -0.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0629 -1.0788 -0.2192 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 -3.2373 -0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1276 0.4554 -1.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 1.7331 -1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9842 2.2422 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0729 0.7716 1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 -1.2842 1.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -1.7818 0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3969 -1.2938 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0154 0.5363 2.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0201 1.3302 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3712 2.2453 1.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9328 2.2880 -0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6171 0.2232 1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1551 1.5304 0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 -0.6571 -1.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4274 0.5028 -1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9026 -1.8751 -0.8690 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 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 4 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 10 5 1 0 16 11 1 0 3 17 1 0 4 18 1 0 6 19 1 0 7 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 12 26 1 0 13 27 1 0 13 28 1 0 14 29 1 0 14 30 1 0 15 31 1 0 15 32 1 0 16 33 1 0 M END