HMDB0060577 RDKit 3D Clomipramine N-oxide 46 48 0 0 0 0 0 0 0 0999 V2000 3.4808 -0.5403 -1.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6238 0.0270 -0.1516 N 0 0 0 0 0 4 0 0 0 0 0 0 5.0320 0.4479 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4361 -0.9353 0.7526 O 0 0 0 0 0 1 0 0 0 0 0 0 2.8545 1.2108 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3841 1.0912 -0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7103 0.0725 0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6839 -0.0795 0.4793 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2343 -1.4238 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -2.2355 1.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7568 -3.5496 1.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9408 -4.0057 0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7683 -3.1627 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4486 -1.8105 0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 -1.1003 -0.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1261 0.1518 -1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 1.2142 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1413 2.4471 -0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 3.5370 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 3.3494 0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9745 4.6701 1.8699 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9719 2.1398 0.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4591 1.1094 0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -1.4250 -1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1275 0.1856 -2.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -0.9278 -1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6078 -0.4861 0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 0.9758 1.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3745 1.0653 -0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0589 1.6980 0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2412 1.9471 -0.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9133 2.0393 -0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3623 0.6862 -1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1927 -0.8642 0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0786 0.1364 1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5164 -1.8135 1.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1085 -4.1897 2.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1881 -5.0603 1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6978 -3.5126 -0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9152 -1.7921 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 -0.8273 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0733 0.5845 -1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4951 -0.0252 -2.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0094 2.5638 -1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1923 4.4828 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1123 1.9338 1.6317 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 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 8 1 0 14 9 1 0 23 17 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 3 28 1 0 3 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 10 36 1 0 11 37 1 0 12 38 1 0 13 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 18 44 1 0 19 45 1 0 22 46 1 0 M CHG 2 2 1 4 -1 M END