HMDB0060930 RDKit 3D Hydromorphone 3-beta-O-glucuronide 60 65 0 0 0 0 0 0 0 0999 V2000 -5.6751 -1.7335 0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7169 -0.6817 0.5331 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9991 -0.3961 1.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6492 0.2389 1.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8162 -0.5759 0.5786 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4018 0.2813 -0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 0.6282 -1.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 1.4284 -2.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 1.8724 -2.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 1.4848 -1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6672 1.9448 -1.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7256 1.7555 -0.5597 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8795 1.2956 -1.1342 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9082 1.1404 -0.2630 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6558 -0.1239 -0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6278 -0.3738 0.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3517 -1.0497 -1.4669 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6024 1.3317 1.1953 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7562 1.3983 1.9631 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7638 2.5582 1.4605 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7726 2.3328 2.3983 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 3.0516 0.1849 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1037 3.7147 -0.5354 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0965 0.6726 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3973 0.0971 0.7499 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -0.9819 1.1306 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0670 -2.2689 0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6381 -3.0215 1.2477 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4686 -2.6744 -0.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8904 -2.3793 -1.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -1.6791 -0.0273 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8727 -1.0202 -0.5948 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6289 0.1068 -1.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6283 -1.3248 1.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8137 -2.4080 -0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2509 -2.3429 1.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5909 0.3026 2.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8467 -1.3211 2.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8381 1.2753 1.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1616 0.3355 2.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4111 1.7228 -3.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0252 2.5114 -3.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4178 1.0443 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6563 1.9555 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4867 -0.9869 -2.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0205 0.4557 1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9346 0.5034 2.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4110 3.3746 1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5866 1.3465 2.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2475 3.6630 0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9866 4.6809 -0.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5596 -0.9681 2.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1836 -2.1605 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2787 -3.7766 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4528 -3.3247 -1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0107 -1.7722 -2.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9562 -2.4051 0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4092 -1.8234 -1.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3234 0.9403 -1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8924 -0.1661 -2.5755 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 5 4 1 1 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 1 14 44 1 6 17 45 1 0 18 46 1 1 19 47 1 0 20 48 1 1 21 49 1 0 22 50 1 1 23 51 1 0 26 52 1 1 29 53 1 0 29 54 1 0 30 55 1 0 30 56 1 0 31 57 1 1 32 58 1 6 33 59 1 0 33 60 1 0 M END