@MOLECULE (1r,3as,3br,4r,5as,7r,8as,8bs,10as)-1,7-diethynyl-4,8a,10a-trimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diol 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.9620 1.1020 -0.6684 O.3 1 UNL1111111111 -0.5439 2 O 4.8908 1.0178 -1.1081 O.3 1 UNL1111111111 -0.5523 3 C 0.3586 0.3415 0.0111 C.3 1 UNL1111111111 -0.1311 4 C -0.4650 -0.9093 -0.4175 C.3 1 UNL1111111111 -0.1298 5 C 1.7916 0.2021 -0.5395 C.3 1 UNL1111111111 0.0655 6 C -1.8840 -0.7241 0.1187 C.3 1 UNL1111111111 -0.1448 7 C -2.5481 0.5501 -0.4742 C.3 1 UNL1111111111 0.0285 8 C 2.3831 -1.0841 0.1124 C.3 1 UNL1111111111 -0.1209 9 C 0.1691 -2.2404 0.0644 C.3 1 UNL1111111111 -0.0891 10 C -0.2978 1.6604 -0.4342 C.3 1 UNL1111111111 -0.2742 11 C 1.6536 -2.3301 -0.3660 C.3 1 UNL1111111111 -0.2938 12 C -1.7637 1.7689 0.0154 C.3 1 UNL1111111111 -0.2903 13 C 2.7925 1.2796 -0.0595 C.3 1 UNL1111111111 -0.3205 14 C -4.0044 0.3974 0.0951 C.3 1 UNL1111111111 0.3008 15 C -2.9157 -1.8319 -0.1516 C.3 1 UNL1111111111 -0.2792 16 C 3.8893 -0.9783 -0.1473 C.3 1 UNL1111111111 -0.3419 17 C 4.1630 0.5474 0.0129 C.3 1 UNL1111111111 0.3352 18 C -4.2793 -1.1405 0.0558 C.3 1 UNL1111111111 -0.3266 19 C 1.8281 0.1724 -2.0730 C.3 1 UNL1111111111 -0.4587 20 C -2.6188 0.5534 -2.0052 C.3 1 UNL1111111111 -0.4601 21 C 0.0451 -2.4490 1.5790 C.3 1 UNL1111111111 -0.4516 22 C -4.1467 0.9201 1.4349 C.1 1 UNL1111111111 -0.0832 23 C 4.8756 0.8431 1.2354 C.1 1 UNL1111111111 -0.1416 24 C -4.2749 1.3507 2.5583 C.1 1 UNL1111111111 -0.1991 25 C 5.4652 1.0966 2.2610 C.1 1 UNL1111111111 -0.1807 26 H 0.4063 0.3523 1.1277 H 1 UNL1111111111 0.1371 27 H -0.4973 -0.9488 -1.5326 H 1 UNL1111111111 0.1407 28 H -1.8143 -0.5875 1.2295 H 1 UNL1111111111 0.1480 29 H 2.2373 -1.0103 1.2220 H 1 UNL1111111111 0.1414 30 H -0.3824 -3.0711 -0.4416 H 1 UNL1111111111 0.1261 31 H -0.2380 1.7662 -1.5331 H 1 UNL1111111111 0.1420 32 H 0.2784 2.5107 -0.0222 H 1 UNL1111111111 0.1381 33 H 1.7281 -2.4398 -1.4621 H 1 UNL1111111111 0.1404 34 H 2.1178 -3.2390 0.0568 H 1 UNL1111111111 0.1377 35 H -1.8154 1.8489 1.1178 H 1 UNL1111111111 0.1455 36 H -2.2173 2.7005 -0.3705 H 1 UNL1111111111 0.1480 37 H 2.5094 1.6919 0.9201 H 1 UNL1111111111 0.1496 38 H 2.8564 2.1344 -0.7549 H 1 UNL1111111111 0.1706 39 H -2.7856 -2.6879 0.5274 H 1 UNL1111111111 0.1389 40 H -2.8159 -2.2315 -1.1731 H 1 UNL1111111111 0.1393 41 H 4.4792 -1.5910 0.5465 H 1 UNL1111111111 0.1442 42 H 4.1544 -1.3056 -1.1666 H 1 UNL1111111111 0.1612 43 H -4.9876 -1.3827 -0.7502 H 1 UNL1111111111 0.1468 44 H -4.7607 -1.4751 0.9883 H 1 UNL1111111111 0.1531 45 H 1.4280 1.0986 -2.4992 H 1 UNL1111111111 0.1442 46 H 2.8611 0.0772 -2.4370 H 1 UNL1111111111 0.1632 47 H 1.2549 -0.6601 -2.4891 H 1 UNL1111111111 0.1411 48 H -1.6183 0.5124 -2.4534 H 1 UNL1111111111 0.1572 49 H -3.1742 -0.3053 -2.3950 H 1 UNL1111111111 0.1413 50 H -3.0913 1.4738 -2.3716 H 1 UNL1111111111 0.1527 51 H 0.4168 -1.5856 2.1415 H 1 UNL1111111111 0.1470 52 H -0.9960 -2.6098 1.8786 H 1 UNL1111111111 0.1430 53 H 0.6159 -3.3250 1.9055 H 1 UNL1111111111 0.1420 54 H -5.0067 0.7556 -1.5817 H 1 UNL1111111111 0.3168 55 H 5.8259 0.7338 -1.0666 H 1 UNL1111111111 0.3151 56 H -4.3831 1.7167 3.5125 H 1 UNL1111111111 0.1861 57 H 5.9656 1.3126 3.1332 H 1 UNL1111111111 0.1849 @BOND 1 1 14 1 2 1 54 1 3 2 17 1 4 2 55 1 5 3 4 1 6 3 5 1 7 3 10 1 8 3 26 1 9 4 6 1 10 4 9 1 11 4 27 1 12 5 8 1 13 5 13 1 14 5 19 1 15 6 7 1 16 6 15 1 17 6 28 1 18 7 12 1 19 7 14 1 20 7 20 1 21 8 11 1 22 8 16 1 23 8 29 1 24 9 11 1 25 9 21 1 26 9 30 1 27 10 12 1 28 10 31 1 29 10 32 1 30 11 33 1 31 11 34 1 32 12 35 1 33 12 36 1 34 13 17 1 35 13 37 1 36 13 38 1 37 14 18 1 38 14 22 1 39 15 18 1 40 15 39 1 41 15 40 1 42 16 17 1 43 16 41 1 44 16 42 1 45 17 23 1 46 18 43 1 47 18 44 1 48 19 45 1 49 19 46 1 50 19 47 1 51 20 48 1 52 20 49 1 53 20 50 1 54 21 51 1 55 21 52 1 56 21 53 1 57 22 24 3 58 23 25 3 59 24 56 1 60 25 57 1