HMDB0015669 RDKit 3D Drotaverine 60 62 0 0 0 0 0 0 0 0999 V2000 -6.1043 -3.1963 -0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4763 -2.0109 -1.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9103 -0.7949 -0.6789 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -0.5629 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6095 -1.5085 -0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2592 -1.1746 -0.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 0.0582 -0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4181 0.3463 -0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3903 -0.5231 0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1277 -1.7533 0.7690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 -2.9271 0.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9934 -2.5312 1.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6061 -1.2925 0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9695 -1.0820 1.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 0.0512 0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 0.2491 0.7508 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8574 -0.5933 1.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9692 -1.9426 0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7779 1.0140 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3781 2.1646 -0.4526 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6796 3.2015 -1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6076 4.3292 -1.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4087 0.8382 -0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8436 -0.3162 0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8192 0.9568 -0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1635 0.7101 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1447 1.6279 0.1861 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 2.9142 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0753 3.6969 0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7182 -4.0033 -0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9867 -3.6464 0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3569 -2.9783 0.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2330 -2.1619 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5950 -1.8577 -1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9322 -2.4693 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5193 -1.9195 -1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 1.2844 -0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0832 -1.7671 1.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9774 -3.1898 -0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2493 -3.7176 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6247 -2.2889 2.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6766 -3.3847 1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5763 -1.8522 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 -0.0963 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6186 -0.6745 2.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2468 -2.1227 -0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7897 -2.7178 1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0124 -2.1437 0.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2043 2.7852 -2.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 3.6218 -0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2023 4.6756 -0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9664 5.1766 -1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2802 4.0688 -2.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8492 1.6063 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5032 1.9339 0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3036 2.7869 1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1092 3.4661 0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8247 4.6324 1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5096 3.9524 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7938 3.0528 1.4766 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 15 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 19 23 1 0 23 24 2 0 7 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 26 4 1 0 24 9 1 0 24 13 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 5 35 1 0 6 36 1 0 8 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 14 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 18 48 1 0 21 49 1 0 21 50 1 0 22 51 1 0 22 52 1 0 22 53 1 0 23 54 1 0 25 55 1 0 28 56 1 0 28 57 1 0 29 58 1 0 29 59 1 0 29 60 1 0 M END