HMDB0060546 RDKit 3D Norbuprenorphine 65 70 0 0 0 0 0 0 0 0999 V2000 0.1540 3.2523 1.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8425 2.3328 0.7437 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 1.1383 0.4083 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1298 0.2938 1.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5861 -1.0491 1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -1.0342 -0.4835 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5708 -0.8114 -1.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2134 0.4025 -0.5962 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6496 0.4262 -0.3993 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1307 1.8963 -0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 0.0564 -1.6999 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4609 -0.3909 0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4231 -1.8957 0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4714 -0.2162 1.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9419 -0.0950 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 -2.2464 -0.9543 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9016 -2.3788 -0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4234 -1.1870 0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4983 -1.1662 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8334 0.0140 1.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0666 1.1714 1.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3845 2.3452 2.2444 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9738 1.1681 0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7466 -0.0074 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6153 0.1500 -0.8307 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1362 0.2040 -2.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -1.0973 -2.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4271 -2.1690 -2.4233 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9527 1.4276 -0.3822 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9861 2.0919 0.3077 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8855 4.1216 1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1752 2.9822 2.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6585 3.7979 0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6877 0.1672 2.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0204 0.7586 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2763 -1.7548 1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.4755 1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3005 -0.7225 -2.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -1.7162 -1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0656 1.1754 -1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1599 1.9832 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1686 2.3125 0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 2.4845 -1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7012 0.5776 -2.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5238 -2.3169 0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5242 -2.1614 -0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -2.3364 0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 -0.4019 2.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8051 -0.9600 2.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 0.7594 2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2582 0.8758 0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5529 -0.8539 0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0958 -0.2531 -0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9239 -3.1623 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9762 -3.2749 0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5896 -2.5937 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0782 -2.0538 1.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6928 0.0342 2.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 3.1960 2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6396 0.9980 -2.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2031 0.5960 -2.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9148 -0.9189 -3.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2732 -1.4746 -2.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7879 -3.0590 -2.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7304 2.0432 -1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 2 1 1 3 4 1 0 4 5 1 0 6 5 1 1 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 6 9 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 6 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 1 6 26 27 1 0 27 28 1 0 25 29 1 0 29 30 1 0 8 3 1 0 28 16 1 0 29 3 1 0 25 6 1 0 24 18 1 0 30 23 1 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 7 38 1 0 7 39 1 0 8 40 1 6 10 41 1 0 10 42 1 0 10 43 1 0 11 44 1 0 13 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 15 53 1 0 16 54 1 6 17 55 1 0 17 56 1 0 19 57 1 0 20 58 1 0 22 59 1 0 26 60 1 0 26 61 1 0 27 62 1 0 27 63 1 0 28 64 1 0 29 65 1 6 M END