HMDB0256846 RDKit 3D Propyphenazone 35 36 0 0 0 0 0 0 0 0999 V2000 -2.1526 -1.3784 -1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2307 -0.6188 -1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5304 0.2591 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8929 0.6585 0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7599 1.7982 1.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5457 -0.4829 1.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3279 0.6759 0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1894 1.4894 1.4496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6935 0.0683 -0.1678 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 0.2959 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6097 1.5399 0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 1.6741 0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7864 0.5629 0.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 -0.6926 0.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9093 -0.7993 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1192 -0.6909 -1.0597 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8434 -1.5258 -2.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3536 -0.8378 -2.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1274 -1.5730 -1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6988 -2.3616 -2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5392 0.9348 -0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7644 2.2057 1.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1773 2.6328 1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3248 1.4098 2.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0155 -0.1299 2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3732 -0.9303 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8095 -1.2841 1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9786 2.4076 0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4051 2.6341 0.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8397 0.6365 0.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8903 -1.5925 0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 -1.7825 0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1983 -1.6517 -2.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7996 -1.0090 -2.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9584 -2.5426 -1.6115 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 1 0 4 6 1 0 3 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 9 16 1 0 16 17 1 0 16 2 1 0 15 10 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 6 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 15 32 1 0 17 33 1 0 17 34 1 0 17 35 1 0 M END