@MOLECULE 3-epi-aplykurodinone b 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7364 -0.8006 -2.0830 O.3 1 UNL1111111111 -0.4350 2 O 2.5899 0.8323 2.5749 O.2 1 UNL1111111111 -0.4551 3 O 3.1027 -2.3329 -1.3931 O.2 1 UNL1111111111 -0.4571 4 C -0.1777 1.9452 -0.4269 C.3 1 UNL1111111111 0.0733 5 C 1.1755 1.2079 -0.6717 C.3 1 UNL1111111111 -0.1926 6 C -1.2778 1.0929 -1.1718 C.3 1 UNL1111111111 -0.1403 7 C 0.9397 0.3577 -1.9255 C.3 1 UNL1111111111 0.1379 8 C -0.5250 -0.0773 -1.8348 C.3 1 UNL1111111111 -0.3391 9 C 1.5438 0.2949 0.4997 C.3 1 UNL1111111111 -0.2171 10 C -0.4063 2.1410 1.0860 C.3 1 UNL1111111111 -0.2883 11 C -2.4553 0.6145 -0.2963 C.3 1 UNL1111111111 -0.0953 12 C -0.1106 3.3305 -1.0915 C.3 1 UNL1111111111 -0.4693 13 C 0.8991 2.3480 1.8582 C.3 1 UNL1111111111 -0.3811 14 C 1.7739 1.1293 1.7414 C.2 1 UNL1111111111 0.4744 15 C 2.7763 -0.5213 0.1426 C.3 1 UNL1111111111 -0.3802 16 C -3.2639 -0.5447 -0.9237 C.3 1 UNL1111111111 -0.2777 17 C 2.5615 -1.2914 -1.1229 C.2 1 UNL1111111111 0.6108 18 C -3.4084 1.7872 -0.0181 C.3 1 UNL1111111111 -0.4600 19 C -3.3261 -1.7629 0.0187 C.3 1 UNL1111111111 -0.2672 20 C -1.9940 -2.4284 0.1286 C.2 1 UNL1111111111 -0.2255 21 C -1.1677 -2.3798 1.1821 C.2 1 UNL1111111111 0.0393 22 C 0.1435 -3.1002 1.1495 C.3 1 UNL1111111111 -0.4660 23 C -1.4495 -1.6697 2.4636 C.3 1 UNL1111111111 -0.4566 24 H 1.9918 1.9439 -0.8389 H 1 UNL1111111111 0.1533 25 H -1.7117 1.7261 -1.9842 H 1 UNL1111111111 0.1423 26 H 1.1680 0.9144 -2.8623 H 1 UNL1111111111 0.1430 27 H -0.6014 -1.0040 -1.2316 H 1 UNL1111111111 0.1769 28 H -0.9367 -0.3296 -2.8241 H 1 UNL1111111111 0.1516 29 H 0.6835 -0.4024 0.7144 H 1 UNL1111111111 0.1901 30 H -0.9356 1.2669 1.5184 H 1 UNL1111111111 0.1527 31 H -1.0799 3.0015 1.2581 H 1 UNL1111111111 0.1485 32 H -2.0391 0.2451 0.6752 H 1 UNL1111111111 0.1466 33 H 0.1449 3.2570 -2.1544 H 1 UNL1111111111 0.1486 34 H -1.0727 3.8508 -1.0233 H 1 UNL1111111111 0.1484 35 H 0.6398 3.9718 -0.6170 H 1 UNL1111111111 0.1466 36 H 0.6929 2.5726 2.9245 H 1 UNL1111111111 0.1725 37 H 1.4513 3.2334 1.4816 H 1 UNL1111111111 0.1736 38 H 3.0427 -1.2167 0.9736 H 1 UNL1111111111 0.1992 39 H 3.6745 0.1266 0.0360 H 1 UNL1111111111 0.1872 40 H -2.8513 -0.8497 -1.9004 H 1 UNL1111111111 0.1453 41 H -4.2949 -0.2144 -1.1507 H 1 UNL1111111111 0.1370 42 H -3.9023 2.1280 -0.9346 H 1 UNL1111111111 0.1439 43 H -4.1920 1.4952 0.6899 H 1 UNL1111111111 0.1445 44 H -2.8874 2.6500 0.4067 H 1 UNL1111111111 0.1413 45 H -4.0712 -2.4893 -0.3690 H 1 UNL1111111111 0.1412 46 H -3.7196 -1.4520 1.0061 H 1 UNL1111111111 0.1394 47 H -1.7142 -2.9907 -0.7644 H 1 UNL1111111111 0.1512 48 H 0.0257 -4.1342 1.5086 H 1 UNL1111111111 0.1643 49 H 0.9022 -2.6279 1.7864 H 1 UNL1111111111 0.1541 50 H 0.5657 -3.1660 0.1361 H 1 UNL1111111111 0.1624 51 H -1.4047 -2.3682 3.3137 H 1 UNL1111111111 0.1625 52 H -2.4419 -1.2017 2.4905 H 1 UNL1111111111 0.1499 53 H -0.7103 -0.8810 2.6596 H 1 UNL1111111111 0.1498 @BOND 1 1 7 1 2 1 17 1 3 2 14 2 4 3 17 2 5 4 5 1 6 4 6 1 7 4 10 1 8 4 12 1 9 5 7 1 10 5 9 1 11 5 24 1 12 6 8 1 13 6 11 1 14 6 25 1 15 7 8 1 16 7 26 1 17 8 27 1 18 8 28 1 19 9 14 1 20 9 15 1 21 9 29 1 22 10 13 1 23 10 30 1 24 10 31 1 25 11 16 1 26 11 18 1 27 11 32 1 28 12 33 1 29 12 34 1 30 12 35 1 31 13 14 1 32 13 36 1 33 13 37 1 34 15 17 1 35 15 38 1 36 15 39 1 37 16 19 1 38 16 40 1 39 16 41 1 40 18 42 1 41 18 43 1 42 18 44 1 43 19 20 1 44 19 45 1 45 19 46 1 46 20 21 2 47 20 47 1 48 21 22 1 49 21 23 1 50 22 48 1 51 22 49 1 52 22 50 1 53 23 51 1 54 23 52 1 55 23 53 1