HMDB0061718 RDKit 3D 3-Methylthiofentanyl 53 55 0 0 0 0 0 0 0 0999 V2000 -4.0062 -2.5587 2.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8884 -1.3705 1.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -1.1213 0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5924 -1.8551 1.2184 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2156 -0.0569 -0.1038 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3003 0.7254 -0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8521 1.6650 0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8991 2.4289 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4166 2.2625 -1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8552 1.3141 -2.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7798 0.5228 -1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8305 0.2760 -0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -0.8924 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2527 -0.7844 -1.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9017 -0.4539 0.0028 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3005 -0.1892 -0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1054 -1.4132 -0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5296 -0.9373 -0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5039 -0.8788 0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7056 -0.4221 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8696 -0.0492 -1.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 -0.3525 -2.1480 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 0.6360 0.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1252 0.7247 0.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 2.2007 0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0310 -2.5354 2.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8646 -3.4907 1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3003 -2.5219 2.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5507 -1.4854 0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2277 -0.4445 1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4597 1.8044 1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3502 3.1912 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2628 2.8726 -1.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2509 1.1738 -3.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -0.2083 -2.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 1.1349 -1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5919 -1.8920 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5611 -0.8435 -2.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5509 -0.1530 -2.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6295 -1.8164 -1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3245 0.5136 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6989 0.3413 0.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7348 -1.8056 -1.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1515 -2.1331 0.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2772 -1.2045 1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5722 -0.3321 0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7937 0.3446 -1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6591 0.4949 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8085 1.6001 0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 0.1800 1.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3759 2.8562 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0874 2.3470 1.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0908 2.5911 0.0330 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 15 23 1 0 23 24 1 0 24 25 1 0 11 6 1 0 24 12 1 0 22 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 23 48 1 0 23 49 1 0 24 50 1 0 25 51 1 0 25 52 1 0 25 53 1 0 M END