HMDB0060743 RDKit 3D 3-Hydroxynevirapine glucuronide 55 59 0 0 0 0 0 0 0 0999 V2000 -0.2356 2.9039 -0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 2.1493 -0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6866 2.7057 -1.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6788 3.9746 -1.8601 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8991 2.0200 -1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8553 0.8004 -0.6025 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 0.2194 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5095 0.8929 -0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2123 0.4630 0.1379 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0713 -0.5088 0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4184 -0.6623 1.1457 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -0.3602 0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2729 0.9834 -0.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 1.4078 -1.0228 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1789 0.8779 -2.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0683 1.2311 -3.2194 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1945 0.0268 -2.8565 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6621 1.1904 -0.5122 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8613 2.0052 0.5884 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8603 -0.2643 -0.1391 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8389 -1.0582 -1.2819 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 -0.6145 0.8141 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8119 0.3311 1.8616 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8392 -1.4186 1.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2204 -2.0965 2.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9274 -3.0064 3.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2592 -3.2096 3.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8748 -2.5376 2.1408 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1717 -1.6651 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9919 -1.0627 0.3861 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 -1.7928 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 -1.5072 -1.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4991 -1.2774 0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4363 2.4823 -1.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 2.9138 -0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4426 3.9888 -1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5332 4.4025 -2.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8082 2.4861 -1.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 -0.9739 -0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1486 2.5278 -1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4861 -0.9102 -3.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3636 1.3975 -1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8004 2.1995 0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8014 -0.3996 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5115 -1.9738 -1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7961 -1.6241 1.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0216 -0.0753 2.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8219 -1.8949 2.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4434 -3.5547 4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8107 -3.9217 3.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0139 -2.9051 0.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7824 -0.7013 -1.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4552 -2.3876 -1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6644 -0.2335 0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2481 -1.9833 0.5597 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 10 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 8 2 1 0 22 12 1 0 29 24 1 0 33 31 1 0 30 7 1 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 5 38 1 0 12 39 1 0 14 40 1 6 17 41 1 0 18 42 1 6 19 43 1 0 20 44 1 1 21 45 1 0 22 46 1 1 23 47 1 0 25 48 1 0 26 49 1 0 27 50 1 0 31 51 1 0 32 52 1 0 32 53 1 0 33 54 1 0 33 55 1 0 M END