HMDB0014686 RDKit 3D Adinazolam 43 46 0 0 0 0 0 0 0 0999 V2000 5.0013 0.2207 1.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3002 0.0191 -0.0192 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0324 -0.9819 -0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9697 -0.4855 0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1162 -0.7473 -0.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3385 -1.6211 -1.9253 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 -1.6330 -2.7417 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3656 -0.8047 -2.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9132 -0.2712 -1.1358 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2718 0.7125 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1574 1.6262 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6147 2.6621 0.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7719 2.7279 1.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4972 4.0074 2.0490 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6255 1.7793 0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1174 0.7488 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -0.1653 -0.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2692 -0.4428 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -0.1198 1.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6726 -0.3380 2.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7194 -0.9325 1.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5577 -1.2917 0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3768 -1.0614 -0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0115 -0.6994 -1.8199 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9777 -0.5672 -2.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2252 0.4468 1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5991 -0.6690 1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6202 1.1365 1.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9041 -0.8613 -1.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7965 -2.0035 -0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1059 -0.7925 -0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -0.1463 1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -1.5630 0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1825 1.6020 -0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2638 3.4097 1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6962 1.8562 0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 0.2862 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7262 -0.0291 3.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6298 -1.0941 2.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4091 -1.7625 -0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2847 -1.3548 -1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 0.4597 -3.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1388 -1.2622 -3.6671 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 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 17 24 2 0 24 25 1 0 9 5 1 0 16 10 1 0 23 18 1 0 25 8 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 11 34 1 0 12 35 1 0 15 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 23 41 1 0 25 42 1 0 25 43 1 0 M END