@MOLECULE (1r,3as,3br,5as,7r,8as,8bs,10as)-1,7-diethynyl-8a,10a-dimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diyl dipropanoate 70 73 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8431 0.8543 0.0159 O.3 1 UNL1111111111 -0.4566 2 O 4.8964 0.9453 0.2957 O.3 1 UNL1111111111 -0.4687 3 O -6.7103 -0.4023 0.1153 O.2 1 UNL1111111111 -0.4959 4 O 6.6507 -0.2985 -0.3720 O.2 1 UNL1111111111 -0.4962 5 C 0.3539 -0.2412 0.2971 C.3 1 UNL1111111111 -0.1326 6 C 1.8251 0.0000 -0.0876 C.3 1 UNL1111111111 0.0673 7 C -0.4040 -0.8064 -0.9416 C.3 1 UNL1111111111 -0.1127 8 C -1.8401 -1.0737 -0.4904 C.3 1 UNL1111111111 -0.1509 9 C -2.5340 0.2475 -0.0509 C.3 1 UNL1111111111 0.0602 10 C 2.4062 -1.3906 -0.4927 C.3 1 UNL1111111111 -0.1239 11 C -0.3238 1.0238 0.8519 C.3 1 UNL1111111111 -0.2751 12 C 0.2490 -2.0961 -1.4758 C.3 1 UNL1111111111 -0.2803 13 C -1.8075 0.7862 1.1838 C.3 1 UNL1111111111 -0.2938 14 C 2.7577 0.3909 1.0825 C.3 1 UNL1111111111 -0.3261 15 C 1.7505 -1.9127 -1.7635 C.3 1 UNL1111111111 -0.2751 16 C -3.9934 -0.2839 0.1822 C.3 1 UNL1111111111 0.2858 17 C -2.8216 -1.6916 -1.4982 C.3 1 UNL1111111111 -0.2765 18 C 3.9217 -1.1723 -0.4964 C.3 1 UNL1111111111 -0.3244 19 C 4.1432 -0.2075 0.6990 C.3 1 UNL1111111111 0.3302 20 C -4.2171 -1.3329 -0.9434 C.3 1 UNL1111111111 -0.3070 21 C 1.9696 1.0574 -1.1885 C.3 1 UNL1111111111 -0.4571 22 C -2.5812 1.3196 -1.1445 C.3 1 UNL1111111111 -0.4460 23 C -4.1986 -0.8408 1.4963 C.1 1 UNL1111111111 -0.1174 24 C 4.7955 -0.8411 1.8173 C.1 1 UNL1111111111 -0.1300 25 C -6.1910 0.6780 0.0375 C.2 1 UNL1111111111 0.6110 26 C 6.1575 0.7804 -0.1826 C.2 1 UNL1111111111 0.6135 27 C -4.3742 -1.3074 2.5990 C.1 1 UNL1111111111 -0.1790 28 C 5.3400 -1.3765 2.7558 C.1 1 UNL1111111111 -0.1668 29 C -6.8468 2.0249 -0.0705 C.3 1 UNL1111111111 -0.3259 30 C 6.7533 2.1368 -0.4304 C.3 1 UNL1111111111 -0.3273 31 C -8.3620 1.8698 -0.0694 C.3 1 UNL1111111111 -0.4204 32 C 8.2465 2.0094 -0.7036 C.3 1 UNL1111111111 -0.4203 33 H 0.3237 -1.0188 1.1004 H 1 UNL1111111111 0.1382 34 H -0.3969 -0.0466 -1.7553 H 1 UNL1111111111 0.1415 35 H -1.7970 -1.7568 0.3979 H 1 UNL1111111111 0.1457 36 H 2.1755 -2.1188 0.3290 H 1 UNL1111111111 0.1407 37 H -0.2342 1.8549 0.1285 H 1 UNL1111111111 0.1413 38 H 0.2098 1.3584 1.7609 H 1 UNL1111111111 0.1364 39 H 0.1093 -2.9165 -0.7473 H 1 UNL1111111111 0.1390 40 H -0.2713 -2.4156 -2.3970 H 1 UNL1111111111 0.1341 41 H -1.8953 0.0782 2.0292 H 1 UNL1111111111 0.1458 42 H -2.2780 1.7243 1.5300 H 1 UNL1111111111 0.1449 43 H 2.4046 -0.0201 2.0409 H 1 UNL1111111111 0.1542 44 H 2.8282 1.4825 1.2182 H 1 UNL1111111111 0.1653 45 H 2.2019 -2.8734 -2.0705 H 1 UNL1111111111 0.1378 46 H 1.9067 -1.2232 -2.6112 H 1 UNL1111111111 0.1409 47 H -2.6732 -1.2771 -2.5081 H 1 UNL1111111111 0.1412 48 H -2.6867 -2.7802 -1.5847 H 1 UNL1111111111 0.1396 49 H 4.2734 -0.7184 -1.4376 H 1 UNL1111111111 0.1623 50 H 4.4936 -2.1070 -0.3868 H 1 UNL1111111111 0.1625 51 H -4.8696 -0.9178 -1.7284 H 1 UNL1111111111 0.1563 52 H -4.7468 -2.2193 -0.5557 H 1 UNL1111111111 0.1629 53 H 1.4336 0.7810 -2.1014 H 1 UNL1111111111 0.1453 54 H 1.5843 2.0282 -0.8593 H 1 UNL1111111111 0.1425 55 H 3.0230 1.2047 -1.4584 H 1 UNL1111111111 0.1550 56 H -1.5789 1.6047 -1.4802 H 1 UNL1111111111 0.1464 57 H -3.0765 2.2275 -0.7773 H 1 UNL1111111111 0.1541 58 H -3.1397 0.9791 -2.0232 H 1 UNL1111111111 0.1499 59 H -4.5295 -1.7087 3.5331 H 1 UNL1111111111 0.1876 60 H 5.8062 -1.8348 3.5497 H 1 UNL1111111111 0.1858 61 H -6.5118 2.6711 0.7696 H 1 UNL1111111111 0.1750 62 H -6.4987 2.5390 -0.9919 H 1 UNL1111111111 0.1733 63 H 6.5636 2.8001 0.4410 H 1 UNL1111111111 0.1750 64 H 6.2311 2.6185 -1.2845 H 1 UNL1111111111 0.1729 65 H -8.7041 1.2488 -0.9087 H 1 UNL1111111111 0.1578 66 H -8.8655 2.8398 -0.1418 H 1 UNL1111111111 0.1451 67 H -8.7145 1.3751 0.8466 H 1 UNL1111111111 0.1590 68 H 8.7780 1.5789 0.1558 H 1 UNL1111111111 0.1559 69 H 8.6989 2.9825 -0.9235 H 1 UNL1111111111 0.1456 70 H 8.4437 1.3448 -1.5568 H 1 UNL1111111111 0.1611 @BOND 1 1 16 1 2 1 25 1 3 2 19 1 4 2 26 1 5 3 25 2 6 4 26 2 7 5 6 1 8 5 7 1 9 5 11 1 10 5 33 1 11 6 10 1 12 6 14 1 13 6 21 1 14 7 8 1 15 7 12 1 16 7 34 1 17 8 9 1 18 8 17 1 19 8 35 1 20 9 13 1 21 9 16 1 22 9 22 1 23 10 15 1 24 10 18 1 25 10 36 1 26 11 13 1 27 11 37 1 28 11 38 1 29 12 15 1 30 12 39 1 31 12 40 1 32 13 41 1 33 13 42 1 34 14 19 1 35 14 43 1 36 14 44 1 37 15 45 1 38 15 46 1 39 16 20 1 40 16 23 1 41 17 20 1 42 17 47 1 43 17 48 1 44 18 19 1 45 18 49 1 46 18 50 1 47 19 24 1 48 20 51 1 49 20 52 1 50 21 53 1 51 21 54 1 52 21 55 1 53 22 56 1 54 22 57 1 55 22 58 1 56 23 27 3 57 24 28 3 58 25 29 1 59 26 30 1 60 27 59 1 61 28 60 1 62 29 31 1 63 29 61 1 64 29 62 1 65 30 32 1 66 30 63 1 67 30 64 1 68 31 65 1 69 31 66 1 70 31 67 1 71 32 68 1 72 32 69 1 73 32 70 1