HMDB0259588 RDKit 3D trans-3-Methylfentanyl 56 58 0 0 0 0 0 0 0 0999 V2000 -5.4803 -2.8465 0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9064 -1.5028 0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4309 -1.5694 0.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 -2.6574 0.8942 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6123 -0.4172 0.2398 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3094 0.7583 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4537 1.8410 0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1489 2.9920 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7245 3.0827 -0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5962 2.0033 -1.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8979 0.8831 -1.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1905 -0.5638 0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5235 0.3192 1.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 0.0423 1.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4392 -0.8665 0.3815 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8549 -0.9632 0.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5952 0.2736 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0586 0.1515 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7909 -0.3407 -0.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1774 -0.4652 -0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7838 -0.0921 0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0087 0.3985 1.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6455 0.5319 1.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9351 -0.8341 -0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5265 -0.4870 -1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6514 0.8656 -1.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5041 -2.9819 0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8849 -3.6929 0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5276 -3.0379 1.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2492 -0.7754 1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2607 -1.1552 -0.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 1.8018 1.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2497 3.8316 1.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2707 3.9654 -1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0412 2.0574 -2.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8315 0.0842 -2.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9689 -1.6242 0.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 0.0645 2.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7596 1.4005 1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 -0.3728 2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4457 1.0508 1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1927 -1.7932 -0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1046 -1.3022 1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3946 0.4140 -1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2908 1.1989 0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3758 -0.6452 -1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 -0.8390 -1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8498 -0.1715 0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4649 0.6945 2.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9939 0.9044 2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0386 -1.8630 -1.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5497 -0.1784 -1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0857 -1.2148 -1.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0888 1.5551 -0.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 0.8272 -2.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3612 1.2601 -1.9178 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 25 26 1 0 11 6 1 0 25 12 1 0 23 18 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 7 32 1 0 8 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 19 46 1 0 20 47 1 0 21 48 1 0 22 49 1 0 23 50 1 0 24 51 1 0 24 52 1 0 25 53 1 0 26 54 1 0 26 55 1 0 26 56 1 0 M END