HMDB0240242 RDKit 3D Clocinizine 56 59 0 0 0 0 0 0 0 0999 V2000 -5.6501 0.3913 4.7368 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.7909 0.5219 3.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9996 -0.5168 2.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3094 -0.4419 1.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4347 0.6918 0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6345 0.7294 -0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3571 0.1044 -1.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6001 -0.4558 -1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -1.0303 -2.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8124 -1.0317 -3.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5805 -0.4794 -3.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8537 0.0862 -2.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3366 0.3645 -0.1528 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7016 1.1806 0.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1561 0.2499 1.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3087 -0.1486 0.8592 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1481 1.0206 0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 0.7730 0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1342 -0.3666 0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5309 -0.5344 -0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3605 0.5022 -0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7037 0.3273 -0.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2521 -0.9490 -0.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4119 -1.9964 -0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0732 -1.8168 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8834 -0.4258 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6092 -0.6927 -0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2309 1.7426 1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8997 1.6373 2.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8826 -1.4068 3.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6915 -1.2856 1.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 1.8736 -0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0485 -0.4693 -0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3304 -1.4717 -2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4210 -1.4855 -4.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2031 -0.5044 -4.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 0.5034 -3.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5744 1.5394 1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2075 2.0725 0.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4384 0.7439 2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4478 -0.6400 1.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6481 1.7111 0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 1.5242 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1545 1.6876 0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 -1.2578 0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9948 1.5223 -0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3692 1.1449 -1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2850 -1.1253 -1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8093 -3.0191 -0.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4312 -2.6612 -0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -1.2759 -0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0807 0.4472 -1.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 -1.0062 -1.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8226 -1.6412 -0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2759 2.5895 0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5292 2.4538 2.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 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 11 12 2 0 6 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 16 26 1 0 26 27 1 0 5 28 1 0 28 29 2 0 29 2 1 0 12 7 1 0 27 13 1 0 25 20 1 0 3 30 1 0 4 31 1 0 6 32 1 0 8 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 21 46 1 0 22 47 1 0 23 48 1 0 24 49 1 0 25 50 1 0 26 51 1 0 26 52 1 0 27 53 1 0 27 54 1 0 28 55 1 0 29 56 1 0 M END