HMDB0061040 RDKit 3D hydroxynefazodone 66 69 0 0 0 0 0 0 0 0999 V2000 3.6747 -3.6273 2.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0534 -2.2405 3.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8961 -1.4034 3.7284 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5448 -1.7234 1.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2586 -1.8009 1.3377 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -1.2624 0.1449 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -1.1609 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8825 0.1272 -0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1152 0.1223 -1.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9748 1.2462 -1.0363 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6173 1.3274 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9731 0.7213 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8363 1.1106 -0.8162 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2069 0.7413 -0.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1083 1.1532 -1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4408 0.7444 -1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8987 -0.0586 -0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9961 -0.4743 0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5156 -1.5138 1.6583 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.6809 -0.0723 0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2109 1.8562 -1.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8611 1.2631 -2.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3263 -0.8256 -0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6255 -0.2427 -1.2891 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 -1.1053 0.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -0.7808 0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9234 0.5827 1.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2635 0.8821 1.2052 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1922 1.0455 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9465 0.9582 -1.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9700 1.1370 -2.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2621 1.4078 -1.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5109 1.4964 -0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5288 1.3254 0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9401 -4.4262 3.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4972 -3.7498 3.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0001 -3.7848 1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 -2.4074 3.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5815 -1.1241 4.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7497 -2.0565 -0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1453 -1.2349 -1.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2082 0.9605 -0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0474 0.1430 0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.0013 -2.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 -0.8454 -0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6285 2.3923 0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9815 0.7389 0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9824 -0.3731 0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4828 1.1295 1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8069 1.7891 -2.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1492 1.0739 -2.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9309 -0.3852 -0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9580 -0.3972 0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1729 2.9446 -1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8224 1.7270 -2.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0198 0.2216 -2.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4021 1.8095 -3.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9882 -0.8932 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1517 -1.5827 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4177 1.3723 0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4535 0.7892 2.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9522 0.7695 -1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7190 1.0564 -3.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0350 1.5419 -2.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 1.7117 -0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7230 1.3953 1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 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 1 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 1 0 18 20 2 0 13 21 1 0 21 22 1 0 6 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 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 25 4 1 0 34 29 1 0 22 10 1 0 20 14 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 3 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 11 46 1 0 11 47 1 0 12 48 1 0 12 49 1 0 15 50 1 0 16 51 1 0 17 52 1 0 20 53 1 0 21 54 1 0 21 55 1 0 22 56 1 0 22 57 1 0 26 58 1 0 26 59 1 0 27 60 1 0 27 61 1 0 30 62 1 0 31 63 1 0 32 64 1 0 33 65 1 0 34 66 1 0 M END