HMDB0259142 RDKit 3D TRIADIMEFON 36 37 0 0 0 0 0 0 0 0999 V2000 -2.3491 -1.3519 1.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3989 -0.6653 -0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1567 0.6238 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2537 -1.5336 -1.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 -0.4892 -0.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7899 -1.0086 -1.7994 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0271 0.2823 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1939 0.2474 -0.8187 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4191 -0.2588 -0.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4264 -0.1609 -1.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6858 -0.6284 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 -1.2165 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5969 -1.8445 0.3209 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0297 -1.3200 0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7442 -0.8474 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3213 1.6701 0.1162 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7579 2.4812 -0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 3.7198 -0.3173 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6694 3.6246 0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2613 2.3501 1.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0725 -0.6372 1.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -2.1638 1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 -1.8193 1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 0.3144 0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3153 1.1351 -0.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7959 1.2618 0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6923 -2.3927 -0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5737 -1.9303 -1.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 -0.9413 -1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2271 -0.1901 0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2041 0.2956 -2.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4702 -0.5604 -1.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2161 -1.7726 1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9861 -0.9291 1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9292 2.2544 -1.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 4.4012 1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 7 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 15 9 1 0 20 16 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 4 29 1 0 7 30 1 0 10 31 1 0 11 32 1 0 14 33 1 0 15 34 1 0 17 35 1 0 19 36 1 0 M END