HMDB0240233 RDKit 3D Mizolastine 57 61 0 0 0 0 0 0 0 0999 V2000 3.1820 -0.6407 -1.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4669 -0.5138 -0.5901 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8603 -0.4908 -0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3862 -1.5248 0.4433 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7075 -1.4408 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4483 -0.3344 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8615 0.7094 -0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5483 1.8569 -0.5915 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5564 0.6210 -0.5495 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4037 -0.4031 0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4188 -1.4971 0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0171 -1.1337 0.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2553 0.1701 1.0762 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5412 0.6952 1.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0128 1.0780 2.5371 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2387 1.5998 2.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1108 2.1436 3.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3208 2.6448 2.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6212 2.5797 1.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7923 2.0490 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 1.5463 1.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4963 0.9808 0.4271 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 0.8072 -1.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0884 -0.4852 -1.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3106 -0.9718 -1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7901 -2.1752 -1.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 -2.9091 -2.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4585 -4.0765 -3.0391 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7909 -2.4408 -2.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3361 -1.2544 -2.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8633 1.1057 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 0.9804 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9757 -1.2970 -2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -1.0918 -2.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2712 0.3670 -2.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1102 -2.2812 1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4882 -0.2942 0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3211 1.8277 -1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9102 -0.3653 1.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7649 -2.2712 1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4932 -2.0365 -0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6041 -1.3305 -0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4234 -1.8745 1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8246 2.1708 4.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0259 3.0829 3.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5786 2.9735 1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0256 1.9991 -0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5145 0.9301 -1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1207 1.6672 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9588 -0.4757 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7457 -2.5529 -1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1979 -3.0320 -3.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3634 -0.8668 -2.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4926 2.0979 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3722 0.6420 2.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 1.7181 0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1878 1.0174 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 2 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 2 0 13 31 1 0 31 32 1 0 9 3 1 0 32 10 1 0 22 14 1 0 30 24 1 0 21 16 1 0 1 33 1 0 1 34 1 0 1 35 1 0 5 36 1 0 6 37 1 0 8 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 17 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 23 48 1 0 23 49 1 0 25 50 1 0 26 51 1 0 29 52 1 0 30 53 1 0 31 54 1 0 31 55 1 0 32 56 1 0 32 57 1 0 M END