HMDB0256818 RDKit 3D Propaphos 40 40 0 0 0 0 0 0 0 0999 V2000 -2.7589 3.6470 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4717 2.7073 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6663 1.5015 -0.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 0.6652 0.1159 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.6261 0.1448 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8739 -0.9207 -1.4702 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 -1.9978 0.7618 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6386 -2.2875 1.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4584 -3.1629 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9967 -2.1296 -0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3893 0.0722 0.5514 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6807 -0.1793 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3968 -0.7360 1.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7759 -1.0141 1.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 -0.7056 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2135 -0.7983 0.0037 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6704 0.9588 -0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7209 -0.1474 -0.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3925 0.1080 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 3.5574 0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6977 4.7194 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7753 3.5272 0.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4589 2.3165 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0659 3.2840 -2.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 1.9077 -0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3008 0.9334 -1.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3345 -1.4612 1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5466 -2.9417 2.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1106 -3.8275 0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6072 -3.7274 -0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0338 -2.3926 -0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2597 -1.1975 0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4114 -1.8597 -1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8468 -0.8921 2.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2837 -1.4672 2.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0190 1.5057 0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3595 0.9559 -1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7025 1.4312 -0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2446 0.1028 -1.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8369 0.5711 -1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 5 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 2 0 19 12 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 10 33 1 0 13 34 1 0 14 35 1 0 17 36 1 0 17 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 M END