HMDB0060824 RDKit 3D Hydromorphone-3-glucuronide 60 65 0 0 0 0 0 0 0 0999 V2000 -5.1322 1.6228 1.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4952 0.4820 0.6608 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4356 0.0429 1.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5776 -1.0269 0.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1315 -0.5693 -0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1899 0.5387 -0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6087 1.8089 -0.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6005 2.7429 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 2.3263 0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0513 0.9551 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3385 0.5770 0.1078 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9448 -0.6702 0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6593 -0.8225 1.2843 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4932 0.2615 1.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3887 0.0164 2.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 0.9247 3.0166 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3929 -1.1401 3.4324 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2756 0.7068 0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6419 1.7749 -0.2753 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3124 -0.4394 -0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0497 -0.0757 -1.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 -0.7126 -1.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7832 -1.9875 -1.6611 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0579 0.0038 -0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0752 -1.3970 -0.2796 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2254 -1.5512 -1.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9448 -2.7789 -1.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4593 -3.8343 -0.8078 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 -2.7498 -1.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0884 -1.4583 -1.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2628 -0.2276 -1.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9344 0.9423 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0484 2.1185 -0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4377 2.0934 2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0050 1.2341 1.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4144 2.3740 0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7618 0.9077 1.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8858 -0.3215 2.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0553 -2.0249 0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -1.1066 1.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 3.7884 -0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5353 3.0446 0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1873 -1.4536 -0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 1.1067 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0444 -1.9959 3.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2979 0.9712 0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4215 2.5073 0.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7077 -1.3677 -0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9388 -0.5017 -1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5441 0.0561 -1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -1.9146 -2.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0348 -1.1950 -2.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9147 -3.4711 -0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4609 -3.2547 -2.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6989 -1.3543 -2.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8801 -1.4196 -0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8765 0.1259 -2.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 1.2315 -1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4268 2.8318 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0861 2.7043 -1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 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 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 2 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 2 1 0 26 5 1 0 31 5 1 0 24 6 1 0 33 7 1 0 22 12 1 0 1 34 1 0 1 35 1 0 1 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 8 41 1 0 9 42 1 0 12 43 1 0 14 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 21 49 1 0 22 50 1 0 23 51 1 0 26 52 1 0 29 53 1 0 29 54 1 0 30 55 1 0 30 56 1 0 31 57 1 0 32 58 1 0 33 59 1 0 33 60 1 0 M END