HMDB0256848 RDKit 3D Proquazone 39 41 0 0 0 0 0 0 0 0999 V2000 -2.3261 3.4189 0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3548 2.2882 0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0228 2.5783 0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 1.5522 0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4768 0.2239 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3607 -0.8181 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7817 -0.6164 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4297 0.1064 0.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7977 0.3055 0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5577 -0.2389 -0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8843 -0.9669 -1.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5348 -1.1671 -1.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8678 -2.0909 -0.0758 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4431 -2.3286 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8623 -3.5327 -0.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3335 -1.3175 -0.0347 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7632 -1.6071 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4664 -1.1587 -1.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4573 -1.2718 1.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8742 -0.0422 0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8078 0.9885 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8094 3.4562 -0.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8672 4.3546 0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1425 3.0840 0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3707 3.5850 0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9484 1.7602 0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9075 0.5467 1.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2794 0.8767 1.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6266 -0.1047 -0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4624 -1.3936 -1.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0327 -1.7315 -1.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8203 -2.7394 -0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -1.9978 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8073 -0.5300 -1.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 -0.6205 -1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7703 -2.1699 1.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8017 -0.7025 1.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4284 -0.7279 1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8367 0.7492 0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 6 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 16 20 1 0 20 21 2 0 21 2 1 0 20 5 1 0 12 7 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 4 26 1 0 8 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 17 32 1 0 18 33 1 0 18 34 1 0 18 35 1 0 19 36 1 0 19 37 1 0 19 38 1 0 21 39 1 0 M END