HMDB0015602 RDKit 3D Milnacipran 40 41 0 0 0 0 0 0 0 0999 V2000 2.5629 1.1435 1.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -0.1265 0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7421 -0.2215 -0.3972 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -0.0291 -1.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8531 1.4352 -1.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4384 -0.4489 -0.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2383 -0.5880 -2.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8232 -0.5854 -0.0518 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4619 0.6587 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 1.8734 0.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4979 3.0156 1.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8325 2.9704 1.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4874 1.7783 1.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8211 0.6715 0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7156 -1.7329 0.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6123 -1.8377 -0.2183 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2319 -2.7822 -1.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1331 -3.9164 -1.2921 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5757 1.5862 1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8225 1.9211 1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 0.8779 2.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3189 -0.6678 0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6613 -0.7356 1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3465 -0.5273 -2.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7018 -0.4562 -1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0032 1.8264 -2.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7683 1.4871 -2.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0571 2.0461 -0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1751 1.9782 0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9641 3.9294 1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 3.8447 1.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5537 1.7229 1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3846 -0.2264 0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0542 -1.4561 1.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1471 -2.4124 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6665 -1.8838 0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4758 -2.2238 -2.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1732 -3.0251 -1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6612 -4.7637 -1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -4.1196 -0.2922 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 3 6 1 0 6 7 2 0 8 6 1 6 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 8 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 16 8 1 0 14 9 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 5 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 16 36 1 1 17 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 M END