HMDB0015372 RDKit 3D Clomipramine 45 47 0 0 0 0 0 0 0 0999 V2000 -3.5792 -1.2314 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 -0.0050 -0.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8463 0.2577 -1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9676 1.1466 -0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 1.1010 -0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 -0.0027 0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5626 -0.0643 0.4136 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1924 -1.3651 0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3473 -2.3157 0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7805 -3.6210 0.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0429 -3.9148 0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8584 -2.9263 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4557 -1.5852 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5287 -0.7444 -0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1793 0.6050 -1.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4059 1.4651 -0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9573 2.7165 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3603 3.6575 0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1891 3.3155 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4175 4.4520 2.4896 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6201 2.0734 1.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2529 1.1950 0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1287 -2.0498 -0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2574 -1.2621 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6715 -1.6035 0.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8986 -0.4741 -2.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 0.0468 -0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9109 1.2854 -1.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2941 2.0026 -0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2906 1.4441 0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9911 2.0670 -0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3518 0.8391 -1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2044 -0.8917 -0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3018 -0.0988 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -2.0133 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1129 -4.3574 1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 -4.9577 0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8303 -3.1791 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4279 -0.7273 -0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8965 -1.3186 -1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 1.1294 -1.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6882 0.5428 -2.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8757 3.0070 -0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 4.6453 0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2759 1.7144 1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 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 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 7 1 0 13 8 1 0 22 16 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 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 6 33 1 0 6 34 1 0 9 35 1 0 10 36 1 0 11 37 1 0 12 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 17 43 1 0 18 44 1 0 21 45 1 0 M END