HMDB0015207 RDKit 3D Perhexiline 55 57 0 0 0 0 0 0 0 0999 V2000 -3.2380 -3.6186 0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2518 -3.4693 1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0941 -2.5875 0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5609 -1.2514 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -0.4991 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6554 -0.3589 0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9761 0.2771 0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7961 -0.4962 -0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 0.3915 -0.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4365 1.1196 0.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2019 0.2392 1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 0.1311 1.9494 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7554 0.7269 -0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1863 1.6305 -1.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2145 3.0630 -0.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 3.6857 -1.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1814 2.7582 -0.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6024 1.6297 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5752 -1.4343 -0.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7725 -2.2792 -0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8097 -4.1355 -0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0825 -4.2209 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7829 -3.1516 2.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8466 -4.4847 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4236 -3.1251 0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -2.3761 1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0068 -0.7160 1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1267 -1.2093 -0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9509 -1.4281 1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1643 -0.0076 1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9941 1.3182 0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1791 -1.4410 0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1111 -0.7649 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 1.0785 -1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7097 -0.2742 -1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5352 1.2878 0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8807 2.0619 0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6789 -0.7574 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6916 0.7330 2.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5181 0.8421 2.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5195 0.4453 -1.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1934 1.8479 -2.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2028 1.3483 -1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9576 3.5898 -1.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5473 3.1411 0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1891 4.7095 -0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2049 3.7944 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8598 2.3794 -1.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8277 3.3533 -0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9676 2.0945 0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 1.0915 0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9545 -0.4952 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0785 -2.0233 -1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2936 -1.7423 0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3844 -2.4215 -1.1732 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 5 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 4 19 1 0 19 20 1 0 20 1 1 0 12 7 1 0 18 13 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 18 50 1 0 18 51 1 0 19 52 1 0 19 53 1 0 20 54 1 0 20 55 1 0 M END