HMDB0252991 RDKit 3D 3-(3-(N-(2-Chloro-3-trifluoromethylbenzyl)(2,2-diphenylethyl)amino)propoxy)ph... 72 75 0 0 0 0 0 0 0 0999 V2000 7.9266 2.6996 -0.2746 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2355 1.8456 -1.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0771 2.2560 -2.1606 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7209 0.4640 -1.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8236 0.2579 0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3878 -0.1663 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5449 -0.3482 2.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1796 -0.1159 2.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6071 0.3086 1.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2535 0.5577 0.8645 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4016 0.3674 1.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9482 0.6901 1.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5476 -0.2416 0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7643 -0.0746 0.0079 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2249 -0.9354 -0.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 -2.3485 -0.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2942 -2.9595 0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5582 -4.3094 0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9696 -5.0675 -0.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1252 -4.4755 -1.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5677 -5.3116 -2.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5815 -5.2568 -3.7635 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7729 -6.6009 -2.3900 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7554 -4.7679 -3.2811 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8579 -3.1345 -1.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0711 -2.4214 -3.3710 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 0.4898 0.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0858 0.6885 0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 1.5917 -0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2901 2.6197 -1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3932 3.4592 -2.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3997 3.2753 -3.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2869 2.2471 -2.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 1.4195 -1.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9974 1.1961 1.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6221 2.1469 2.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4832 2.6040 3.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7655 2.1314 3.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1665 1.1760 2.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2948 0.7213 1.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 0.4879 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8533 2.8755 -2.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 -0.2938 -1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 0.2591 -2.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4531 -0.3404 1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9832 -0.6791 3.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5174 -0.2580 3.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5137 -0.6758 2.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7306 1.0608 2.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3616 0.4996 2.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9215 1.7478 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2349 0.0687 -0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -1.2713 0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1404 -0.5904 -1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -0.9278 -1.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9945 -2.4088 1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4275 -4.7492 1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1712 -6.1311 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8211 -0.1211 1.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3115 1.4601 1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4777 -0.2945 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5051 2.7641 -0.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6573 4.2598 -2.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4764 3.9408 -3.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0779 2.0922 -3.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8883 0.5955 -1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6038 2.5598 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1464 3.3436 4.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4689 2.4745 4.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1712 0.7824 2.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5838 -0.0310 0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0369 0.8221 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 20 25 2 0 25 26 1 0 14 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 28 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 9 41 2 0 41 5 1 0 25 16 1 0 34 29 1 0 40 35 1 0 3 42 1 0 4 43 1 0 4 44 1 0 6 45 1 0 7 46 1 0 8 47 1 0 11 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 15 54 1 0 15 55 1 0 17 56 1 0 18 57 1 0 19 58 1 0 27 59 1 0 27 60 1 0 28 61 1 0 30 62 1 0 31 63 1 0 32 64 1 0 33 65 1 0 34 66 1 0 36 67 1 0 37 68 1 0 38 69 1 0 39 70 1 0 40 71 1 0 41 72 1 0 M END