HMDB0038554 RDKit 3D Gravacridonediolacetate 49 52 0 0 0 0 0 0 0 0999 V2000 7.7143 -0.4931 0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4770 0.2298 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 1.4635 -0.0883 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2374 -0.3859 0.0833 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0618 0.3386 -0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8959 -0.6029 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1967 -1.7111 -1.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7224 -1.1778 1.0075 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6753 0.1767 -0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3803 -0.6769 -0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5867 0.3307 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1182 1.4534 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 2.5883 0.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8529 2.6739 0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5143 3.8228 1.2894 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5829 1.6056 0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9515 1.7486 0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5098 2.8158 0.8007 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7124 0.7147 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0793 0.8716 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8481 -0.1621 -0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2459 -1.3117 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8501 -1.4730 -1.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1002 -0.4388 -0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7331 -0.5695 -0.5312 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 -1.7905 -0.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9614 0.4480 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4953 1.1940 0.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5176 0.2427 0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5867 -1.1299 1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0575 -1.1760 -0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 0.7382 -1.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9219 1.1388 0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2276 -2.0649 -1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1624 -1.2368 -2.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4923 -2.5520 -1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5105 -2.1551 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7881 0.5746 -1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7089 -1.3950 0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2593 -1.1032 -1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 3.4439 1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9356 4.5794 1.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5991 1.7539 0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9404 -0.1014 -0.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8236 -2.1237 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4363 -2.3884 -1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -2.1707 -0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -1.9313 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8832 -2.6256 -0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 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 2 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 1 0 12 28 1 0 28 9 1 0 27 11 1 0 27 16 2 0 24 19 1 0 1 29 1 0 1 30 1 0 1 31 1 0 5 32 1 0 5 33 1 0 7 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 13 41 1 0 15 42 1 0 20 43 1 0 21 44 1 0 22 45 1 0 23 46 1 0 26 47 1 0 26 48 1 0 26 49 1 0 M END