HMDB0060803 RDKit 3D 8-Hydroxydesmethylclomipramine 43 45 0 0 0 0 0 0 0 0999 V2000 4.3450 0.2272 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0796 -0.2732 -0.1885 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3245 -1.4673 -0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -1.3461 0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1451 -0.3182 -0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2241 -0.1260 -0.4581 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 1.2378 -0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0689 2.0336 -1.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2705 3.3530 -1.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3999 3.8509 -0.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7221 5.2122 -0.9978 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1838 3.0177 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8947 1.6606 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9183 0.9995 0.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5359 -0.2535 1.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -1.3373 0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6876 -2.5346 0.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3004 -3.6271 0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2685 -3.5302 -0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -4.8789 -1.7701 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6009 -2.3370 -0.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 -1.2941 -0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7812 -0.2359 1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2937 1.3379 1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4326 0.0066 1.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0234 0.4023 -0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3135 -1.7672 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7717 -2.3194 0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9691 -0.9469 1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3778 -2.2912 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6784 0.6140 -0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4368 -0.3847 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9309 1.5794 -1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3793 3.9755 -2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3061 5.8288 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0802 3.4050 0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2346 1.7237 1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 0.8110 0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6911 -0.0309 2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4082 -0.6374 2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5024 -2.6204 1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8092 -4.5670 0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2128 -2.1521 -1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 6 1 0 13 7 1 0 22 16 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 8 33 1 0 9 34 1 0 11 35 1 0 12 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 17 41 1 0 18 42 1 0 21 43 1 0 M END