HMDB0015280 RDKit 3D Nefazodone 65 68 0 0 0 0 0 0 0 0999 V2000 4.8816 0.0370 -3.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 0.7747 -2.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2444 0.2807 -1.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0956 0.8914 -1.9678 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0627 0.2560 -1.4556 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3172 0.6124 -1.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8372 1.5821 -0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 1.8658 -0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0744 0.6767 -1.0043 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4115 0.9819 -1.5282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4881 0.1291 -0.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4765 0.2721 0.5555 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5649 -0.0644 1.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6095 0.3012 2.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6977 -0.0458 3.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7513 -0.7662 2.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7151 -1.1411 1.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0479 -2.0629 0.9736 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.6360 -0.7889 0.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2304 0.7829 1.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1449 0.0582 0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 -0.7561 -0.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9408 -1.6319 -0.0662 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9326 -0.7480 -0.8036 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8161 -1.7136 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1301 -1.4343 1.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7915 -0.2970 1.5707 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0769 0.0810 1.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4926 1.3606 1.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7685 1.7813 1.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7024 1.0340 0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -0.2116 0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0036 -0.6690 0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9136 -0.1324 -3.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5098 0.6721 -4.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3142 -0.9408 -3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3876 0.6470 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5273 1.8466 -2.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9953 -0.2658 -1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4413 1.1000 -2.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 1.1560 0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2267 2.5266 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7051 2.6619 -0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2805 2.2743 -2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3913 0.7427 -2.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6181 2.0514 -1.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3576 -0.9122 -1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4542 0.5191 -1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8112 0.8710 3.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7108 0.2548 4.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6175 -1.0592 3.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5777 -1.0690 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0857 0.6226 2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 1.8535 0.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5103 -1.0097 0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2041 0.0790 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3203 -2.7103 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 -1.7254 -0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1247 -1.4043 1.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6637 -2.3653 1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7867 1.9843 2.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1245 2.7734 1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7009 1.4059 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9800 -0.8669 -0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7152 -1.6689 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 12 20 1 0 20 21 1 0 5 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 24 3 1 0 33 28 1 0 21 9 1 0 19 13 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 6 39 1 0 6 40 1 0 7 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 14 49 1 0 15 50 1 0 16 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 21 55 1 0 21 56 1 0 25 57 1 0 25 58 1 0 26 59 1 0 26 60 1 0 29 61 1 0 30 62 1 0 31 63 1 0 32 64 1 0 33 65 1 0 M END