HMDB0242340 RDKit 3D (1R,7S)-4-[4-(4-Pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]... 57 61 0 0 0 0 0 0 0 0999 V2000 -3.2013 2.0215 -0.7935 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8108 0.8842 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1058 0.4823 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2849 -0.6851 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0827 -0.9504 0.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8071 -2.0059 1.7714 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2046 0.0103 0.5973 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8316 0.0750 1.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -0.6694 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5053 -0.5405 0.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5187 -1.2594 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8218 -1.0834 0.4407 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8489 -1.7428 -0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5829 -0.7469 -1.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2406 0.1910 -0.3128 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5264 0.6840 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1204 1.5539 0.1973 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3514 2.0580 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0321 1.6804 -1.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4019 0.7884 -2.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1803 0.3113 -1.7602 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 0.5995 0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 0.2929 0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6812 -1.1186 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5763 -0.1159 0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3782 1.1711 -0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4024 0.7633 -1.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8711 -0.6799 -1.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7622 2.7722 -1.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0102 -2.6206 1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4746 1.1315 1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7139 -0.2999 2.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8853 -0.2209 -0.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1241 -1.7422 0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5846 -0.9093 1.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 0.5404 0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -0.7856 -1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 -2.3407 -0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5287 -2.2446 0.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3432 -2.5154 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3012 -1.2976 -1.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8297 -0.2570 -1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8267 2.7503 0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0213 2.0948 -1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 0.4776 -2.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9133 -0.0020 1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7291 1.6603 1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6075 0.5458 1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6659 0.9019 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8899 -2.1492 0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2681 0.0605 1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6331 -0.4185 0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3449 1.5436 -0.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8673 1.9128 0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3477 1.3697 -1.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1955 -1.2014 -2.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9283 -0.7255 -1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 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 2 0 15 22 1 0 22 23 1 0 4 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 7 2 1 0 23 12 1 0 28 24 1 0 27 3 1 0 21 16 1 0 1 29 1 0 6 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 22 46 1 0 22 47 1 0 23 48 1 0 23 49 1 0 24 50 1 0 25 51 1 0 25 52 1 0 26 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 28 57 1 0 M END