HMDB0032665 RDKit 3D Licoagrocarpin 47 50 0 0 0 0 0 0 0 0999 V2000 7.8809 -0.7436 -0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9593 -0.0788 0.7521 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5993 -0.1029 0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2015 -0.7732 -0.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8509 -0.7765 -1.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9095 -0.1387 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3345 0.5207 0.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6659 0.5416 1.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 1.0999 1.4406 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3015 1.3350 0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1295 1.3401 0.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6355 1.6832 1.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9927 1.6475 2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9074 1.2618 1.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2703 1.2342 1.5054 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 0.9201 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 0.4982 -1.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -0.8680 -0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0148 -1.2495 -0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1917 -0.3593 -0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3143 -2.7019 -0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 0.9521 -0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5291 0.5833 -1.4916 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8584 0.2846 -1.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 0.0348 -0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7661 -0.4161 -1.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 -1.8216 -0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9407 -0.4873 0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9374 -1.2792 -1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5578 -1.3010 -1.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0344 1.0492 2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5338 2.2006 -0.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 1.9851 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4184 1.9199 3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5785 1.5023 2.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0983 1.2641 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7754 0.5884 -2.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9703 -1.6300 -0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8578 -0.6283 0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9845 0.7083 -0.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7613 -0.5566 -1.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3482 -3.2946 -1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4705 -3.1134 0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2247 -2.8174 0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9801 -0.5133 -2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2811 1.2489 -2.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8874 -0.7529 0.1256 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 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 3 19 20 1 0 19 21 1 0 16 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 8 3 1 0 25 10 1 0 25 6 1 0 22 11 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 8 31 1 0 10 32 1 0 12 33 1 0 13 34 1 0 15 35 1 0 17 36 1 0 17 37 1 0 18 38 1 0 20 39 1 0 20 40 1 0 20 41 1 0 21 42 1 0 21 43 1 0 21 44 1 0 24 45 1 0 24 46 1 0 25 47 1 0 M END