HMDB0014951 RDKit 3D Fentanyl 53 55 0 0 0 0 0 0 0 0999 V2000 -5.0405 -2.2245 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4284 -0.8316 0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9672 -0.8953 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4085 -2.0082 -0.0106 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2285 0.2807 -0.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 1.5394 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7397 2.3824 0.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3920 3.5948 0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2129 3.9443 -0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4075 3.1107 -1.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 1.9027 -1.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7828 0.3172 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1397 -0.1311 0.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9224 -1.1666 0.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7161 -1.0513 -0.3416 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6449 -2.1591 -0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 -2.0863 0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5279 -0.8565 0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1547 0.3085 1.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 1.4583 0.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0163 1.4341 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4005 0.2590 -0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6403 -0.8831 -0.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9563 -1.0567 -1.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3863 -0.4202 -1.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8145 -2.8563 -0.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 -2.1436 0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6461 -2.7387 1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9710 -0.2023 -0.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6541 -0.3654 1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 2.0943 1.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2233 4.2475 1.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7172 4.9114 -0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0791 3.4384 -1.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9139 1.2650 -2.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5026 1.3814 -0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2862 0.7143 1.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9315 -0.5701 1.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5537 -1.2177 1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4236 -2.1844 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1064 -3.1402 -0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1004 -2.1380 -1.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4012 -2.9508 0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3571 -2.1102 1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2978 0.3817 1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6051 2.3623 1.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6010 2.3195 -0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 0.2050 -1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9162 -1.8200 -0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9198 -2.1188 -1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6161 -0.5485 -2.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 -1.2309 -1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 0.2537 -2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 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 2 0 5 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 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 22 23 2 0 15 24 1 0 24 25 1 0 11 6 1 0 25 12 1 0 23 18 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 7 31 1 0 8 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 19 45 1 0 20 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 24 50 1 0 24 51 1 0 25 52 1 0 25 53 1 0 M END