HMDB0014939 RDKit 3D Halazepam 36 38 0 0 0 0 0 0 0 0999 V2000 2.9878 -2.3466 1.0946 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0341 -1.5254 1.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8044 -1.9296 1.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4243 -1.6443 1.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7863 -0.5560 0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0528 -0.5888 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8709 -1.7214 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0436 -1.9188 -0.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4850 -0.9884 -1.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6967 0.1188 -1.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5166 0.3230 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0192 0.6720 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8164 1.7695 0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2635 3.0192 0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2986 4.4154 0.8399 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1127 3.1628 0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9533 2.0756 0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3778 0.8366 0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3018 -0.2533 0.5557 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5086 -0.0497 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3499 -0.4623 -1.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3752 0.2831 -2.2403 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1073 -1.8178 -1.7077 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 -0.2347 -2.3203 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -1.3881 2.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8243 -3.0273 2.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5117 -2.4521 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6269 -2.8290 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4163 -1.1353 -2.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0707 0.8520 -2.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9623 1.2000 -1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8995 1.6386 0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5871 4.1266 0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0206 2.1519 0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8306 0.9718 -0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3309 -0.7477 0.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 5 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 19 2 1 0 11 6 1 0 18 12 1 0 3 25 1 0 3 26 1 0 7 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 11 31 1 0 13 32 1 0 16 33 1 0 17 34 1 0 20 35 1 0 20 36 1 0 M END