HMDB0060969 RDKit 3D desmethyladinazolam 37 40 0 0 0 0 0 0 0 0999 V2000 -4.1862 0.8924 -2.2575 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7681 -0.0104 -1.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0981 0.8992 -0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4466 2.1823 0.1296 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5348 2.7006 0.9710 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5951 1.7839 1.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9777 0.6990 0.4744 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2794 -0.5505 0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1085 -1.6282 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4848 -2.8812 0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -2.9775 0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6623 -4.5421 0.4590 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7229 -1.8749 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -0.6402 0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0911 0.4281 0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3756 0.3148 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3496 1.2847 0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5702 1.3372 -0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8758 0.4193 -1.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 -0.5240 -1.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7103 -0.5803 -0.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8432 1.5235 1.2857 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3528 1.9059 2.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4359 1.5740 -2.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4103 0.3392 -3.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1033 -0.6933 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7377 -0.4090 -0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1599 -1.5170 0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1352 -3.7310 0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7997 -1.9217 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1109 2.0132 1.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3072 2.0872 -0.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8408 0.4829 -1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2023 -1.2451 -2.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0399 -1.3379 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4049 1.2252 2.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2275 2.9716 2.3094 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 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 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 15 22 2 0 22 23 1 0 7 3 1 0 14 8 1 0 21 16 1 0 23 6 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 9 28 1 0 10 29 1 0 13 30 1 0 17 31 1 0 18 32 1 0 19 33 1 0 20 34 1 0 21 35 1 0 23 36 1 0 23 37 1 0 M END