HMDB0240224 RDKit 3D Chlorcyclizine 42 44 0 0 0 0 0 0 0 0999 V2000 4.8381 -0.3154 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5133 0.2003 0.2335 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5653 -0.7638 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 -1.0186 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6449 0.1972 -0.4797 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3979 0.3436 0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1088 -0.9982 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4618 -1.6828 1.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -2.8871 1.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3845 -3.3865 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0256 -2.6905 -0.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3809 -1.4838 -0.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4433 1.3440 0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7948 0.9716 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8380 1.8111 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5372 3.1241 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8374 4.2600 -0.5893 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 3.5284 -0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1653 2.6561 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5711 1.2690 -0.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9629 0.7047 -1.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3698 -0.2137 1.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4031 0.2084 -0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8132 -1.3938 -0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2376 -0.4672 1.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 -1.7215 0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -1.7859 0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7522 -1.5046 -1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0638 0.4827 1.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2362 -1.2787 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3988 -3.4556 2.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8945 -4.3420 0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -3.1267 -1.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1046 -0.9475 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0305 -0.0773 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8738 1.5205 0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9663 4.5557 -0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1514 3.0467 -0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3166 1.8902 -1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.8395 0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5448 1.5879 -1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9201 -0.0002 -1.8254 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 1 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 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 5 20 1 0 20 21 1 0 21 2 1 0 12 7 1 0 19 13 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 6 29 1 0 8 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 14 35 1 0 15 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 20 40 1 0 21 41 1 0 21 42 1 0 M END