@MOLECULE cacospongionolide e 65 68 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.2705 0.9238 -0.5492 O.3 1 UNL1111 -0.3956 2 O 7.1242 -0.2532 -1.0617 O.3 1 UNL1111 -0.4642 3 O 5.3208 -1.1805 -2.1358 O.3 1 UNL1111 -0.5365 4 O 8.4883 -0.6801 0.6648 O.2 1 UNL1111 -0.3971 5 C -2.7194 0.8158 0.4913 C.3 1 UNL1111 0.0676 6 C -3.5689 -0.4442 0.1635 C.3 1 UNL1111 -0.1421 7 C -5.0937 -0.2101 -0.0617 C.3 1 UNL1111 0.0690 8 C -2.9980 1.9196 -0.5695 C.3 1 UNL1111 -0.0998 9 C -5.2713 0.9134 -1.1033 C.3 1 UNL1111 -0.2889 10 C -4.5079 2.1787 -0.7073 C.3 1 UNL1111 -0.2806 11 C -3.3938 -1.5797 1.1850 C.3 1 UNL1111 -0.2812 12 C -1.2209 0.3983 0.4487 C.3 1 UNL1111 -0.2862 13 C -5.6770 -1.5193 -0.5684 C.2 1 UNL1111 -0.0058 14 C -3.0082 1.3688 1.8947 C.3 1 UNL1111 -0.4655 15 C -5.8996 0.1325 1.2048 C.3 1 UNL1111 -0.4530 16 C -3.9246 -2.8926 0.5893 C.3 1 UNL1111 -0.2651 17 C -2.4082 1.5959 -1.9503 C.3 1 UNL1111 -0.4498 18 C -5.1525 -2.7068 -0.2396 C.2 1 UNL1111 -0.2137 19 C -0.2420 1.5613 0.6781 C.3 1 UNL1111 -0.2862 20 C -6.9013 -1.4447 -1.4220 C.3 1 UNL1111 -0.4524 21 C 1.1647 1.0555 0.6608 C.2 1 UNL1111 -0.0489 22 C 1.8725 1.1301 -0.6554 C.3 1 UNL1111 -0.0416 23 C 1.7674 0.5487 1.7420 C.2 1 UNL1111 -0.1843 24 C 3.1763 0.0582 1.7081 C.3 1 UNL1111 -0.3153 25 C 3.6158 -0.1984 0.2574 C.3 1 UNL1111 0.1092 26 C 5.0877 -0.3086 0.0997 C.2 1 UNL1111 -0.0368 27 C 5.7124 -0.1499 -1.2935 C.3 1 UNL1111 0.3544 28 C 6.0607 -0.5381 0.9892 C.2 1 UNL1111 -0.3063 29 C 7.3697 -0.5230 0.2838 C.2 1 UNL1111 0.5922 30 H -3.1785 -0.8199 -0.8222 H 1 UNL1111 0.1438 31 H -2.5241 2.8660 -0.2077 H 1 UNL1111 0.1293 32 H -4.9246 0.5596 -2.0925 H 1 UNL1111 0.1409 33 H -6.3435 1.1540 -1.2259 H 1 UNL1111 0.1367 34 H -4.9083 2.5828 0.2409 H 1 UNL1111 0.1367 35 H -4.6827 2.9694 -1.4614 H 1 UNL1111 0.1331 36 H -2.3337 -1.7042 1.4685 H 1 UNL1111 0.1339 37 H -3.9260 -1.3390 2.1229 H 1 UNL1111 0.1424 38 H -0.9979 -0.0927 -0.5162 H 1 UNL1111 0.1412 39 H -1.0370 -0.3742 1.2217 H 1 UNL1111 0.1423 40 H -2.4140 2.2633 2.1080 H 1 UNL1111 0.1417 41 H -4.0596 1.6528 2.0130 H 1 UNL1111 0.1504 42 H -2.7826 0.6275 2.6679 H 1 UNL1111 0.1457 43 H -5.6047 1.0973 1.6292 H 1 UNL1111 0.1461 44 H -6.9709 0.1891 0.9818 H 1 UNL1111 0.1437 45 H -5.7713 -0.6310 1.9799 H 1 UNL1111 0.1503 46 H -4.1267 -3.6169 1.4050 H 1 UNL1111 0.1420 47 H -3.1360 -3.3617 -0.0378 H 1 UNL1111 0.1430 48 H -1.3144 1.6210 -1.9436 H 1 UNL1111 0.1409 49 H -2.7450 2.3221 -2.6986 H 1 UNL1111 0.1422 50 H -2.7149 0.6040 -2.2998 H 1 UNL1111 0.1468 51 H -5.6003 -3.6375 -0.5829 H 1 UNL1111 0.1426 52 H -0.4600 2.0549 1.6481 H 1 UNL1111 0.1533 53 H -0.3923 2.3510 -0.0843 H 1 UNL1111 0.1494 54 H -6.6525 -1.1092 -2.4390 H 1 UNL1111 0.1554 55 H -7.4041 -2.4161 -1.5195 H 1 UNL1111 0.1512 56 H -7.6416 -0.7432 -1.0134 H 1 UNL1111 0.1536 57 H 1.8355 2.1472 -1.0980 H 1 UNL1111 0.1541 58 H 1.4612 0.3986 -1.3798 H 1 UNL1111 0.1360 59 H 1.2720 0.4848 2.7068 H 1 UNL1111 0.1501 60 H 3.8353 0.8226 2.1769 H 1 UNL1111 0.1686 61 H 3.2937 -0.8626 2.3119 H 1 UNL1111 0.1528 62 H 3.1114 -1.1083 -0.1584 H 1 UNL1111 0.1508 63 H 5.5092 0.7977 -1.8288 H 1 UNL1111 0.1821 64 H 6.0112 -0.7010 2.0498 H 1 UNL1111 0.1918 65 H 5.8534 -1.9949 -1.9902 H 1 UNL1111 0.3396 @BOND 1 1 22 1 2 1 25 1 3 2 27 1 4 2 29 1 5 3 27 1 6 3 65 1 7 4 29 2 8 5 6 1 9 5 8 1 10 5 12 1 11 5 14 1 12 6 7 1 13 6 11 1 14 6 30 1 15 7 9 1 16 7 13 1 17 7 15 1 18 8 10 1 19 8 17 1 20 8 31 1 21 9 10 1 22 9 32 1 23 9 33 1 24 10 34 1 25 10 35 1 26 11 16 1 27 11 36 1 28 11 37 1 29 12 19 1 30 12 38 1 31 12 39 1 32 13 18 2 33 13 20 1 34 14 40 1 35 14 41 1 36 14 42 1 37 15 43 1 38 15 44 1 39 15 45 1 40 16 18 1 41 16 46 1 42 16 47 1 43 17 48 1 44 17 49 1 45 17 50 1 46 18 51 1 47 19 21 1 48 19 52 1 49 19 53 1 50 20 54 1 51 20 55 1 52 20 56 1 53 21 22 1 54 21 23 2 55 22 57 1 56 22 58 1 57 23 24 1 58 23 59 1 59 24 25 1 60 24 60 1 61 24 61 1 62 25 26 1 63 25 62 1 64 26 27 1 65 26 28 2 66 27 63 1 67 28 29 1 68 28 64 1