HMDB0061060 RDKit 3D 4'-hydroxytrazodone 49 52 0 0 0 0 0 0 0 0999 V2000 3.0309 -1.3602 1.3424 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8444 -0.7006 0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6047 -0.0578 -0.5067 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3611 -0.0103 -1.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5089 1.1864 -0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2363 1.1237 -1.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4192 -0.1573 -1.2721 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5891 -0.1859 -2.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6721 -1.0835 -1.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9927 -0.7477 -0.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2408 -0.2943 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1727 0.2093 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4309 0.6530 -0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7462 0.5840 1.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9858 1.0174 1.5007 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8457 0.0882 1.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2650 0.0101 3.6546 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6023 -0.3432 1.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8307 -0.9364 0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -0.1543 0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7183 0.5306 -0.9058 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 0.2775 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9877 0.6644 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7959 0.2826 1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2591 -0.4895 2.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9438 -0.8472 1.9861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1409 -0.4753 0.9643 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5748 0.1866 -2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 -0.9134 -1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 1.1311 0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0657 2.1322 -0.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5493 1.1037 -2.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4351 1.9705 -1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2651 -0.5347 -3.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 0.8337 -2.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3129 -2.1377 -1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5298 -1.0235 -2.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9175 0.2661 -1.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1141 1.0362 -1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6943 1.3904 0.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9431 -0.7274 2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6019 -2.0270 0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0807 -0.5634 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2343 -0.5884 0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7616 0.8811 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3901 1.2700 -0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8391 0.5603 1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8842 -0.7946 2.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4808 -1.4628 2.7620 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 14 16 1 0 16 17 1 0 16 18 2 0 10 19 1 0 19 20 1 0 3 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 2 1 0 20 7 1 0 27 22 1 0 18 11 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 12 38 1 0 13 39 1 0 15 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 20 44 1 0 20 45 1 0 23 46 1 0 24 47 1 0 25 48 1 0 26 49 1 0 M END