HMDB0041917 RDKit 3D Lorazepam glucuronide 51 54 0 0 0 0 0 0 0 0999 V2000 -5.1677 -0.5572 -0.7519 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8409 -1.5858 -0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8621 -2.4562 0.2574 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4066 -1.9202 0.1895 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6403 -0.9051 -0.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0632 -0.0843 0.6554 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3336 0.9469 0.0843 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.9160 0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6524 0.6484 -0.9713 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9444 0.7249 -1.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3887 0.4380 -2.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4505 -0.1651 -3.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6622 -0.3857 -4.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8671 -0.0009 -5.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8009 0.5910 -4.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5564 0.8085 -3.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 1.7877 -2.3668 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 0.8921 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0322 0.0447 -0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0313 0.0958 0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4301 -0.9412 0.3441 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9595 0.9391 1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 1.7775 1.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8655 1.7331 0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7041 2.5573 1.1751 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4619 2.1829 0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5028 3.1410 1.3003 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1041 0.3779 1.6327 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5057 1.1834 2.6115 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6761 -0.8179 2.3478 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0791 -0.7185 2.3576 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3396 -2.1203 1.6655 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1624 -2.6917 2.1162 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7641 -2.1517 0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -2.8961 -0.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -0.7104 1.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3522 0.0852 0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4896 -0.4794 -3.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -0.8567 -5.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0587 -0.1688 -6.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7357 0.8805 -5.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0294 -0.6302 -1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 0.9661 2.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7665 2.4483 2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5304 3.4048 2.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9164 0.9470 1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7549 0.7296 3.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3738 -0.8525 3.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4407 -1.1310 3.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1533 -2.8493 1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3179 -3.1718 2.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 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 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 10 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 6 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 4 1 0 26 8 1 0 16 11 1 0 24 18 1 0 3 34 1 0 4 35 1 6 6 36 1 1 8 37 1 0 12 38 1 0 13 39 1 0 14 40 1 0 15 41 1 0 19 42 1 0 22 43 1 0 23 44 1 0 27 45 1 0 28 46 1 6 29 47 1 0 30 48 1 1 31 49 1 0 32 50 1 1 33 51 1 0 M END