HMDB0014648 RDKit 3D Tridihexethyl 59 60 0 0 0 0 0 0 0 0999 V2000 -3.8290 2.2808 0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7164 1.4531 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5003 0.1739 0.3121 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.1354 -0.0813 1.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5658 -0.4644 1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8716 -0.9448 -0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0893 -0.7611 -1.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -0.0337 0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0954 0.4209 -0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2729 0.0148 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 0.5903 1.4398 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4201 -1.4322 0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3191 -2.1554 -0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4431 -3.5287 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6699 -4.2204 0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7729 -3.5367 1.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -2.1604 1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4063 0.5569 -0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6644 0.1062 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7941 1.0503 0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3912 2.5024 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4617 2.7802 -1.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1844 2.0243 -0.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8908 2.2563 1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6139 3.3717 0.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8122 2.1410 -0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9234 1.3548 -1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 2.1023 -0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 0.7076 2.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6033 -1.0001 2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6899 -1.4008 0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8227 -0.7885 2.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2844 0.3104 1.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8953 -1.8618 0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0307 -1.1779 -1.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8452 -0.0691 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5456 -1.7896 -1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -0.4663 -2.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9594 -1.1354 0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8755 0.4173 1.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 1.4707 -0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1211 -0.1280 -1.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0186 0.2293 2.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1431 -1.6737 -1.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3662 -4.1054 -1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 -5.3047 0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9505 -4.0137 2.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7324 -1.6330 2.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2893 0.0918 -1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4874 -0.3512 0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0382 -0.7876 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3948 0.8303 0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4902 0.9382 -0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3184 3.1073 0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8844 2.7634 1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9543 2.4501 -1.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 3.8795 -1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5267 2.2367 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7604 2.3935 0.1600 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 3 6 1 0 6 7 1 0 3 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 10 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 17 12 1 0 23 18 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 11 43 1 0 13 44 1 0 14 45 1 0 15 46 1 0 16 47 1 0 17 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 20 53 1 0 21 54 1 0 21 55 1 0 22 56 1 0 22 57 1 0 23 58 1 0 23 59 1 0 M CHG 1 3 1 M END