@MOLECULE epi-friedelanol 83 87 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.4662 -1.3960 1.5282 O.3 1 UNL1111111111 -0.5738 2 C 0.7626 1.0133 -0.2651 C.3 1 UNL1111111111 0.0684 3 C 1.5122 -0.2942 0.1453 C.3 1 UNL1111111111 0.0627 4 C -0.7660 0.8028 -0.0535 C.3 1 UNL1111111111 -0.1487 5 C -1.3939 -0.4156 -0.7919 C.3 1 UNL1111111111 0.0824 6 C 3.0327 -0.1181 -0.1561 C.3 1 UNL1111111111 -0.1447 7 C -2.8088 -0.6092 -0.1385 C.3 1 UNL1111111111 -0.1571 8 C 3.6456 1.1804 0.4465 C.3 1 UNL1111111111 0.0958 9 C 0.9500 -1.4634 -0.7026 C.3 1 UNL1111111111 -0.2928 10 C -3.7400 0.6384 -0.1504 C.3 1 UNL1111111111 0.0925 11 C -0.5505 -1.6762 -0.4706 C.3 1 UNL1111111111 -0.2923 12 C 1.2413 2.1857 0.6350 C.3 1 UNL1111111111 -0.2908 13 C -1.6078 2.0538 -0.3448 C.3 1 UNL1111111111 -0.2791 14 C 2.6308 2.0131 1.2617 C.3 1 UNL1111111111 -0.2952 15 C -2.9723 1.8964 0.3313 C.3 1 UNL1111111111 -0.3013 16 C 3.8124 -1.3736 0.2826 C.3 1 UNL1111111111 -0.3050 17 C 1.0433 1.4040 -1.7262 C.3 1 UNL1111111111 -0.4702 18 C 1.2943 -0.6619 1.6290 C.3 1 UNL1111111111 -0.4603 19 C -4.8797 0.3792 0.9039 C.3 1 UNL1111111111 -0.1845 20 C -3.5457 -1.8388 -0.7061 C.3 1 UNL1111111111 -0.2778 21 C 4.8119 0.8269 1.4052 C.3 1 UNL1111111111 -0.2917 22 C -1.4654 -0.2729 -2.3161 C.3 1 UNL1111111111 -0.4577 23 C 5.3324 -1.2714 0.0470 C.3 1 UNL1111111111 0.1166 24 C 5.9004 0.0051 0.7088 C.3 1 UNL1111111111 -0.2946 25 C 4.2142 2.0825 -0.6697 C.3 1 UNL1111111111 -0.4695 26 C -5.1396 -1.1359 1.0979 C.3 1 UNL1111111111 0.1558 27 C -4.3163 0.9243 -1.5418 C.3 1 UNL1111111111 -0.4597 28 C -4.9898 -1.9351 -0.1973 C.3 1 UNL1111111111 -0.3004 29 C -6.1781 1.1148 0.5743 C.3 1 UNL1111111111 -0.4343 30 C 5.9954 -2.5143 0.6761 C.3 1 UNL1111111111 -0.4713 31 C 5.6363 -1.2764 -1.4606 C.3 1 UNL1111111111 -0.4665 32 H -0.8798 0.5853 1.0458 H 1 UNL1111111111 0.1382 33 H 3.1306 -0.0509 -1.2683 H 1 UNL1111111111 0.1397 34 H -2.5957 -0.8201 0.9439 H 1 UNL1111111111 0.1317 35 H 1.4858 -2.3999 -0.4554 H 1 UNL1111111111 0.1338 36 H 1.1520 -1.2875 -1.7742 H 1 UNL1111111111 0.1364 37 H -0.8974 -2.5216 -1.0937 H 1 UNL1111111111 0.1337 38 H -0.7198 -1.9862 0.5771 H 1 UNL1111111111 0.1376 39 H 0.5183 2.3414 1.4600 H 1 UNL1111111111 0.1339 40 H 1.2213 3.1236 0.0484 H 1 UNL1111111111 0.1345 41 H -1.7283 2.2134 -1.4307 H 1 UNL1111111111 0.1408 42 H -1.1095 2.9647 0.0321 H 1 UNL1111111111 0.1346 43 H 3.0620 3.0157 1.4510 H 1 UNL1111111111 0.1323 44 H 2.5160 1.5626 2.2675 H 1 UNL1111111111 0.1353 45 H -2.8242 1.8538 1.4275 H 1 UNL1111111111 0.1331 46 H -3.5892 2.7952 0.1498 H 1 UNL1111111111 0.1365 47 H 3.6300 -1.5773 1.3542 H 1 UNL1111111111 0.1437 48 H 3.4246 -2.2563 -0.2594 H 1 UNL1111111111 0.1346 49 H 0.9710 0.5491 -2.4037 H 1 UNL1111111111 0.1478 50 H 0.3362 2.1620 -2.0764 H 1 UNL1111111111 0.1429 51 H 2.0485 1.8230 -1.8505 H 1 UNL1111111111 0.1489 52 H 2.0138 -0.1655 2.2869 H 1 UNL1111111111 0.1470 53 H 0.2942 -0.3855 1.9780 H 1 UNL1111111111 0.1458 54 H 1.4089 -1.7392 1.7902 H 1 UNL1111111111 0.1411 55 H -4.5163 0.7683 1.8881 H 1 UNL1111111111 0.1286 56 H -2.9935 -2.7562 -0.4296 H 1 UNL1111111111 0.1355 57 H -3.5466 -1.8114 -1.8120 H 1 UNL1111111111 0.1419 58 H 4.4242 0.2694 2.2778 H 1 UNL1111111111 0.1358 59 H 5.2521 1.7546 1.8138 H 1 UNL1111111111 0.1296 60 H -2.2551 -0.8997 -2.7455 H 1 UNL1111111111 0.1428 61 H -1.6590 0.7594 -2.6265 H 1 UNL1111111111 0.1458 62 H -0.5290 -0.5786 -2.7965 H 1 UNL1111111111 0.1455 63 H 6.4151 0.6304 -0.0434 H 1 UNL1111111111 0.1391 64 H 6.6835 -0.2568 1.4439 H 1 UNL1111111111 0.1332 65 H 4.8184 2.8940 -0.2532 H 1 UNL1111111111 0.1411 66 H 4.8524 1.5200 -1.3577 H 1 UNL1111111111 0.1439 67 H 3.4119 2.5460 -1.2562 H 1 UNL1111111111 0.1475 68 H -4.4707 -1.5443 1.8925 H 1 UNL1111111111 0.1093 69 H -4.9541 0.1078 -1.8940 H 1 UNL1111111111 0.1485 70 H -4.9179 1.8390 -1.5540 H 1 UNL1111111111 0.1403 71 H -3.5239 1.0650 -2.2828 H 1 UNL1111111111 0.1496 72 H -5.7089 -1.5596 -0.9494 H 1 UNL1111111111 0.1507 73 H -5.2802 -2.9879 -0.0223 H 1 UNL1111111111 0.1498 74 H -6.7083 0.6343 -0.2584 H 1 UNL1111111111 0.1578 75 H -6.8682 1.1216 1.4254 H 1 UNL1111111111 0.1343 76 H -5.9915 2.1601 0.3037 H 1 UNL1111111111 0.1422 77 H 5.5988 -3.4381 0.2439 H 1 UNL1111111111 0.1426 78 H 7.0771 -2.5129 0.5110 H 1 UNL1111111111 0.1417 79 H 5.8235 -2.5534 1.7563 H 1 UNL1111111111 0.1426 80 H 5.2537 -2.1834 -1.9394 H 1 UNL1111111111 0.1432 81 H 5.1743 -0.4210 -1.9648 H 1 UNL1111111111 0.1459 82 H 6.7133 -1.2321 -1.6494 H 1 UNL1111111111 0.1403 83 H -6.7246 -0.7987 2.2518 H 1 UNL1111111111 0.3123 @BOND 1 1 26 1 2 1 83 1 3 2 3 1 4 2 4 1 5 2 12 1 6 2 17 1 7 3 6 1 8 3 9 1 9 3 18 1 10 4 5 1 11 4 13 1 12 4 32 1 13 5 7 1 14 5 11 1 15 5 22 1 16 6 8 1 17 6 16 1 18 6 33 1 19 7 10 1 20 7 20 1 21 7 34 1 22 8 14 1 23 8 21 1 24 8 25 1 25 9 11 1 26 9 35 1 27 9 36 1 28 10 15 1 29 10 19 1 30 10 27 1 31 11 37 1 32 11 38 1 33 12 14 1 34 12 39 1 35 12 40 1 36 13 15 1 37 13 41 1 38 13 42 1 39 14 43 1 40 14 44 1 41 15 45 1 42 15 46 1 43 16 23 1 44 16 47 1 45 16 48 1 46 17 49 1 47 17 50 1 48 17 51 1 49 18 52 1 50 18 53 1 51 18 54 1 52 19 26 1 53 19 29 1 54 19 55 1 55 20 28 1 56 20 56 1 57 20 57 1 58 21 24 1 59 21 58 1 60 21 59 1 61 22 60 1 62 22 61 1 63 22 62 1 64 23 24 1 65 23 30 1 66 23 31 1 67 24 63 1 68 24 64 1 69 25 65 1 70 25 66 1 71 25 67 1 72 26 28 1 73 26 68 1 74 27 69 1 75 27 70 1 76 27 71 1 77 28 72 1 78 28 73 1 79 29 74 1 80 29 75 1 81 29 76 1 82 30 77 1 83 30 78 1 84 30 79 1 85 31 80 1 86 31 81 1 87 31 82 1