HMDB0014794 RDKit 3D Trazodone 48 51 0 0 0 0 0 0 0 0999 V2000 4.0001 1.3163 -2.9315 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1299 0.5814 -1.9166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4218 -0.5302 -1.6602 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3636 -1.1465 -2.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0225 -0.5698 -2.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -0.8281 -0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5358 -0.2808 -0.1948 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7136 -0.4734 1.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -0.0830 1.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1151 -0.4669 0.7449 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3972 0.1311 0.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -0.0944 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5773 0.5095 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9010 1.3286 0.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9954 1.5664 1.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3781 2.5998 3.2363 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.7473 0.9579 1.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6858 -1.4959 -0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 -0.9100 -0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 -0.9834 -0.5009 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8566 -0.1688 -0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6228 -0.2404 1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5705 0.7213 1.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7139 1.7307 0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9429 1.7732 -0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0135 0.8186 -0.9356 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5651 -0.8602 -3.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3807 -2.2455 -2.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1006 0.5472 -2.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2473 -0.9204 -2.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6761 -1.9392 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5379 -0.3974 0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0164 0.1814 1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 -1.5160 1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1545 0.9828 1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3046 -0.6335 2.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0554 -0.7335 -1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2663 0.3052 -0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8786 1.7785 0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0357 1.1333 2.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4389 -1.8703 -0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2139 -2.3282 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 -0.1639 -1.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1668 -1.7650 -1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4770 -1.0464 1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1785 0.6781 2.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4357 2.5053 0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0229 2.5445 -1.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 10 18 1 0 18 19 1 0 3 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 2 1 0 19 7 1 0 26 21 1 0 17 11 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 22 45 1 0 23 46 1 0 24 47 1 0 25 48 1 0 M END