HMDB0015284 RDKit 3D Sertaconazole 42 45 0 0 0 0 0 0 0 0999 V2000 -2.6707 -5.9669 0.7724 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4282 -4.2264 0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7082 -3.3568 1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5012 -1.9900 1.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0309 -1.5201 0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5258 -0.0764 0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 0.8147 0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 2.2189 0.2853 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4238 3.0792 1.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1145 4.3419 0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9978 4.2697 -0.4315 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2272 2.9990 -0.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7282 0.1796 -0.8999 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4953 0.6253 -0.9515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -0.2197 -0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3977 -1.3679 0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9683 -1.8965 0.7607 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8855 -0.6618 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2623 -0.3601 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2944 -1.5063 0.8583 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7478 0.7626 -0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8189 1.5749 -1.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4605 1.2958 -1.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9633 0.1688 -0.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7657 -2.3949 -0.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2348 -1.6927 -2.3419 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9399 -3.7568 -0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0979 -3.7254 2.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7061 -1.3445 2.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9874 0.0640 1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5315 0.6142 -0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 0.5287 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5896 2.8490 2.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 5.2510 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 2.6305 -1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5805 1.6340 -0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7772 1.0067 -1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4674 -1.9009 0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8175 0.9532 -0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 2.4828 -1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8172 2.0178 -1.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7178 -4.3981 -1.4945 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 1 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 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 5 25 1 0 25 26 1 0 25 27 2 0 27 2 1 0 12 8 1 0 24 15 1 0 24 18 1 0 3 28 1 0 4 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 9 33 1 0 10 34 1 0 12 35 1 0 14 36 1 0 14 37 1 0 16 38 1 0 21 39 1 0 22 40 1 0 23 41 1 0 27 42 1 0 M END