HMDB0060705 RDKit 3D 12-Hydroxynevirapine glucuronide 55 59 0 0 0 0 0 0 0 0999 V2000 0.3286 -0.0042 -3.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 -0.0211 -2.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7784 -0.3604 -3.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 -0.3810 -2.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9221 -0.0600 -1.3972 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8371 0.2705 -0.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 0.3022 -1.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3162 0.6243 -0.8861 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0639 0.7305 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4035 1.0632 0.5762 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3212 0.7520 -0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 -0.5703 -0.7235 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3865 -1.3183 -0.4089 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1809 -1.5913 -1.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7985 -1.1327 -2.7208 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3259 -2.3490 -1.5301 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2908 -0.8557 0.6744 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0290 -1.5100 1.8796 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2514 0.6190 0.9539 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5229 1.1468 1.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6726 1.3615 -0.2205 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4687 2.6957 0.1309 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7279 0.5476 1.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0695 0.4508 2.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5489 0.2800 3.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 0.2110 3.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7002 0.3077 2.8452 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 0.4730 1.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1168 0.5491 0.6237 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4091 0.9314 1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6318 1.0675 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4544 -0.1979 1.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2102 -1.3984 0.4915 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 0.2106 -4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3267 0.7796 -3.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1111 -1.0185 -3.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7414 -0.6066 -4.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8692 -0.6487 -3.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9032 1.2859 -1.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 -2.3368 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2267 -1.9018 -1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3475 -1.1009 0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8098 -1.9802 2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6344 0.8679 1.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9059 1.6042 0.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2685 1.2495 -1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1633 3.1938 -0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 0.5145 2.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0821 0.2046 4.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.0754 4.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3892 1.5462 1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8799 0.8099 -0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 1.8218 0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1061 -0.2171 2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4912 -2.1295 1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 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 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 9 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 7 2 1 0 21 11 1 0 28 23 1 0 32 30 1 0 29 6 1 0 1 34 1 0 1 35 1 0 1 36 1 0 3 37 1 0 4 38 1 0 11 39 1 0 13 40 1 1 16 41 1 0 17 42 1 6 18 43 1 0 19 44 1 1 20 45 1 0 21 46 1 6 22 47 1 0 24 48 1 0 25 49 1 0 26 50 1 0 30 51 1 0 31 52 1 0 31 53 1 0 32 54 1 0 33 55 1 0 M END