HMDB0041969 RDKit 3D Oxazepam glucuronide 51 54 0 0 0 0 0 0 0 0999 V2000 5.3082 -2.2650 0.0136 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2381 -1.9174 0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4872 -2.8611 1.2324 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7747 -0.5332 0.4909 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5641 -0.3314 1.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0406 0.8658 0.6208 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7458 1.0836 0.9592 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1754 1.0553 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1028 -0.0569 0.2713 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2527 -0.3489 -0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9936 -1.5004 0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4012 -2.3392 1.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1473 -3.3364 1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4687 -3.5459 1.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0775 -2.7443 0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2997 -1.7139 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7249 0.3746 -1.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3034 -0.4924 -2.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8308 0.0611 -3.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5729 -1.0289 -4.6857 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7655 1.4293 -3.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1756 2.2866 -2.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6437 1.7395 -1.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 2.6928 -0.7725 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9151 2.3577 -0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3685 3.3650 0.7156 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9923 1.9658 0.9672 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6273 2.4642 -0.1794 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1355 1.4591 1.8571 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6680 0.8444 2.9952 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 0.4068 1.0326 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5193 1.0598 -0.0058 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 -3.8569 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6065 -0.2108 -0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 0.6996 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1929 0.8613 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3697 -2.1408 1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -3.9964 2.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0362 -4.3512 1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1095 -2.9004 0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8878 -1.0881 -0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2772 -1.5751 -2.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1995 1.8051 -4.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1452 3.3444 -2.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1283 4.0953 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4943 2.8413 1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0891 3.2994 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 2.3042 2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2711 0.1088 3.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5832 -0.1425 1.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0283 0.4070 -0.5523 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 10 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 6 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 4 1 0 25 8 1 0 16 11 1 0 23 17 1 0 3 33 1 0 4 34 1 6 6 35 1 6 8 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 15 40 1 0 16 41 1 0 18 42 1 0 21 43 1 0 22 44 1 0 26 45 1 0 27 46 1 1 28 47 1 0 29 48 1 1 30 49 1 0 31 50 1 1 32 51 1 0 M END