@MOLECULE cylindrocyclophane f 75 77 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.6966 1.5575 -1.6793 O.3 1 UNL111111111111 -0.3151 2 O 3.1718 -0.0475 2.9079 O.3 1 UNL111111111111 -0.3176 3 O -2.3280 -0.8253 1.6343 O.3 1 UNL111111111111 -0.3590 4 O 3.4238 -0.1218 -1.8113 O.3 1 UNL111111111111 -0.3350 5 C -4.5887 -0.8981 -0.0981 C.3 1 UNL111111111111 -0.1235 6 C 4.6265 0.9099 0.6798 C.3 1 UNL111111111111 -0.1251 7 C -4.7105 -1.4957 -1.5179 C.3 1 UNL111111111111 -0.2668 8 C 4.3464 2.2455 -0.0338 C.3 1 UNL111111111111 -0.2716 9 C -3.3424 -1.7780 -2.1563 C.3 1 UNL111111111111 -0.2696 10 C 3.2105 2.9812 0.6959 C.3 1 UNL111111111111 -0.2708 11 C 0.8330 2.5638 -1.1855 C.3 1 UNL111111111111 -0.0587 12 C -0.1436 -3.6118 -0.8813 C.3 1 UNL111111111111 -0.3570 13 C -2.5113 -2.7847 -1.3514 C.3 1 UNL111111111111 -0.2896 14 C 2.6115 4.1102 -0.1479 C.3 1 UNL111111111111 -0.2724 15 C 1.9296 3.6157 -1.4300 C.3 1 UNL111111111111 -0.2907 16 C -1.0520 -2.7988 -1.8274 C.3 1 UNL111111111111 -0.2516 17 C -5.9430 -0.3537 0.4030 C.3 1 UNL111111111111 -0.2483 18 C 5.8597 0.1640 0.1290 C.3 1 UNL111111111111 -0.2629 19 C -3.5956 0.1912 -0.0802 C.ar 1 UNL111111111111 -0.1167 20 C 3.4546 0.0198 0.5600 C.ar 1 UNL111111111111 -0.1129 21 C -0.3019 3.1693 -0.3277 C.3 1 UNL111111111111 -0.2691 22 C 0.0941 -2.9027 0.4656 C.3 1 UNL111111111111 -0.2530 23 C -5.8377 0.0236 1.8956 C.3 1 UNL111111111111 -0.3282 24 C 6.1719 -1.0333 1.0508 C.3 1 UNL111111111111 -0.2157 25 C -1.4106 2.1985 -0.1782 C.ar 1 UNL111111111111 0.0178 26 C 1.1980 -1.9172 0.4398 C.ar 1 UNL111111111111 0.0057 27 C -3.7200 1.3654 -0.9710 C.ar 1 UNL111111111111 0.3257 28 C 2.8031 -0.4359 1.8065 C.ar 1 UNL111111111111 0.3135 29 C -2.4293 0.0826 0.8237 C.ar 1 UNL111111111111 0.3395 30 C 2.9518 -0.4712 -0.7435 C.ar 1 UNL111111111111 0.3512 31 C 0.2979 2.0597 -2.5294 C.3 1 UNL111111111111 -0.4558 32 C -0.7077 -4.9403 -0.6956 C.3 1 UNL111111111111 0.1309 33 C -2.5837 2.2188 -0.9081 C.ar 1 UNL111111111111 -0.0569 34 C 1.7458 -1.3558 1.5827 C.ar 1 UNL111111111111 -0.0503 35 C -1.4711 1.1194 0.6312 C.ar 1 UNL111111111111 -0.0754 36 C 1.8692 -1.3923 -0.6019 C.ar 1 UNL111111111111 -0.0974 37 C -7.0528 0.6035 2.3541 C.3 1 UNL111111111111 -0.1265 38 C 7.2342 -1.8563 0.5530 C.3 1 UNL111111111111 -0.1669 39 C -7.6481 1.1889 3.4789 C.3 1 UNL111111111111 0.0474 40 C 8.0968 -2.6051 0.1787 C.3 1 UNL111111111111 0.0373 41 H -4.2693 -1.7263 0.5946 H 1 UNL111111111111 0.1699 42 H 4.8256 1.1482 1.7670 H 1 UNL111111111111 0.1740 43 H -5.2828 -0.8008 -2.1688 H 1 UNL111111111111 0.1624 44 H -5.3069 -2.4281 -1.4696 H 1 UNL111111111111 0.1457 45 H 4.0849 2.0641 -1.0944 H 1 UNL111111111111 0.1632 46 H 5.2549 2.8741 -0.0580 H 1 UNL111111111111 0.1435 47 H -2.7820 -0.8307 -2.2754 H 1 UNL111111111111 0.1361 48 H -3.4881 -2.1565 -3.1873 H 1 UNL111111111111 0.1439 49 H 3.5861 3.3940 1.6523 H 1 UNL111111111111 0.1390 50 H 2.4114 2.2705 0.9877 H 1 UNL111111111111 0.1404 51 H 1.2742 1.6983 -0.6340 H 1 UNL111111111111 0.1352 52 H 0.8549 -3.7476 -1.3913 H 1 UNL111111111111 0.1906 53 H -2.5522 -2.5399 -0.2714 H 1 UNL111111111111 0.1486 54 H -2.9511 -3.7964 -1.4397 H 1 UNL111111111111 0.1447 55 H 1.8857 4.6845 0.4640 H 1 UNL111111111111 0.1349 56 H 3.4060 4.8336 -0.4138 H 1 UNL111111111111 0.1372 57 H 1.5051 4.4803 -1.9757 H 1 UNL111111111111 0.1377 58 H 2.6909 3.1891 -2.1135 H 1 UNL111111111111 0.1473 59 H -0.9973 -3.2272 -2.8473 H 1 UNL111111111111 0.1442 60 H -0.6588 -1.7668 -1.9106 H 1 UNL111111111111 0.1480 61 H -6.2590 0.5238 -0.1977 H 1 UNL111111111111 0.1685 62 H -6.7358 -1.1108 0.2607 H 1 UNL111111111111 0.1530 63 H 5.6852 -0.1738 -0.9124 H 1 UNL111111111111 0.1667 64 H 6.7279 0.8432 0.0817 H 1 UNL111111111111 0.1509 65 H -0.6596 4.1128 -0.7911 H 1 UNL111111111111 0.1626 66 H 0.1024 3.4592 0.6666 H 1 UNL111111111111 0.1638 67 H 0.2920 -3.6630 1.2595 H 1 UNL111111111111 0.1713 68 H -0.8413 -2.3940 0.8061 H 1 UNL111111111111 0.1863 69 H -4.9783 0.7235 2.0533 H 1 UNL111111111111 0.1767 70 H -5.5641 -0.8798 2.4961 H 1 UNL111111111111 0.1846 71 H 5.2556 -1.6570 1.1912 H 1 UNL111111111111 0.1567 72 H 6.4188 -0.6534 2.0748 H 1 UNL111111111111 0.1658 73 H -0.4112 1.2355 -2.3984 H 1 UNL111111111111 0.1433 74 H -0.2138 2.8515 -3.0866 H 1 UNL111111111111 0.1496 75 H 1.1102 1.6807 -3.1622 H 1 UNL111111111111 0.1543 @BOND 1 56 14 1 2 57 15 1 3 58 15 1 4 46 8 1 5 15 14 1 6 15 11 1 7 14 55 1 8 14 10 1 9 45 8 1 10 64 18 1 11 74 31 1 12 8 10 1 13 8 6 1 14 75 31 1 15 63 18 1 16 10 49 1 17 10 50 1 18 31 11 1 19 31 73 1 20 18 6 1 21 18 24 1 22 65 21 1 23 11 21 1 24 11 51 1 25 4 30 1 26 6 42 1 27 6 20 1 28 38 24 1 29 38 40 1 30 21 66 1 31 21 25 1 32 24 72 1 33 24 71 1 34 30 20 ar 35 30 36 ar 36 20 28 ar 37 33 25 ar 38 33 27 ar 39 25 35 ar 40 36 26 ar 41 28 2 1 42 28 34 ar 43 27 1 1 44 27 19 ar 45 35 29 ar 46 60 16 1 47 47 9 1 48 26 34 ar 49 26 22 1 50 59 16 1 51 48 9 1 52 52 12 1 53 16 12 1 54 16 13 1 55 29 19 ar 56 29 3 1 57 19 5 1 58 9 13 1 59 9 7 1 60 43 7 1 61 12 22 1 62 12 32 1 63 22 68 1 64 22 67 1 65 13 53 1 66 13 54 1 67 7 5 1 68 7 44 1 69 61 17 1 70 5 17 1 71 5 41 1 72 69 23 1 73 17 23 1 74 17 62 1 75 23 37 1 76 23 70 1 77 37 39 1