HMDB0251693 RDKit 3D Ecopipam 42 45 0 0 0 0 0 0 0 0999 V2000 -0.5917 3.6789 0.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 2.4556 0.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1966 2.6088 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3937 1.8159 0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1986 0.3708 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -0.2004 -0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3503 -1.5427 -0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7983 -2.2459 -1.4441 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2597 -2.3070 -0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3064 -3.6613 -0.7698 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1322 -1.7144 0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0795 -0.3727 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1907 0.0193 0.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2492 -1.0120 0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6565 -1.8872 1.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6343 -2.7963 1.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1777 -2.8222 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 -1.9510 -0.8821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 -1.0314 -0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2831 -0.0485 -1.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3715 1.3115 -0.8963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7493 1.3417 0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1889 4.5472 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 3.5640 0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4012 3.9623 2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5275 3.6694 -0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0359 2.2507 -1.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5392 2.0033 1.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3018 2.1540 -0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1948 0.4045 -0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5169 -4.2869 -0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2907 -2.3592 0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1275 0.1052 2.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2151 -1.8431 2.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 -3.5219 2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9566 -3.5470 -0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2075 -1.9811 -1.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0066 -0.0249 -2.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3123 -0.2817 -1.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9553 2.0919 -1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 1.5482 -0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6129 1.5357 1.1772 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 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 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 22 2 1 0 12 5 1 0 22 13 1 0 19 14 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 6 30 1 0 10 31 1 0 11 32 1 0 13 33 1 0 15 34 1 0 16 35 1 0 17 36 1 0 18 37 1 0 20 38 1 0 20 39 1 0 21 40 1 0 21 41 1 0 22 42 1 0 M END