@MOLECULE clift 83 88 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.2407 -1.4042 -0.4002 O.3 1 UNL1 -0.5950 2 O 4.3089 -0.2140 -0.5472 O.3 1 UNL1 -0.4402 3 O -7.8788 -1.4352 0.3098 O.2 1 UNL1 -0.3572 4 O 5.4873 -0.1554 1.4347 O.3 1 UNL1 -0.4876 5 O -9.9523 -1.2408 -0.3457 O.2 1 UNL1 -0.4269 6 O 6.3190 -2.7738 -0.6411 O.3 1 UNL1 -0.5337 7 O 7.7663 -1.6552 1.4064 O.3 1 UNL1 -0.5618 8 O 7.7010 1.3022 -0.7007 O.3 1 UNL1 -0.3781 9 C -3.4105 -0.3712 0.1139 C.3 1 UNL1 0.2876 10 C -4.1243 1.0051 -0.0354 C.3 1 UNL1 0.0175 11 C -2.0620 -0.4732 -0.6281 C.3 1 UNL1 -0.1782 12 C -1.1276 0.7046 -0.3005 C.3 1 UNL1 -0.1277 13 C 0.2320 0.5888 -1.0558 C.3 1 UNL1 0.0589 14 C -5.1599 1.0102 1.1370 C.3 1 UNL1 -0.0915 15 C -3.1197 2.1483 0.2208 C.3 1 UNL1 -0.2943 16 C -1.8529 2.0184 -0.6275 C.3 1 UNL1 -0.2848 17 C -3.3828 -0.6625 1.6277 C.3 1 UNL1 -0.3029 18 C -1.3826 -1.8077 -0.2935 C.3 1 UNL1 -0.2689 19 C -4.4781 0.2042 2.2710 C.3 1 UNL1 -0.2765 20 C 0.8197 -0.7807 -0.7924 C.2 1 UNL1 0.0185 21 C -4.7743 1.1820 -1.4030 C.3 1 UNL1 -0.4598 22 C -0.0789 -1.9454 -1.0848 C.3 1 UNL1 -0.2897 23 C 1.1689 1.7102 -0.5335 C.3 1 UNL1 -0.2889 24 C 0.0677 0.7497 -2.5772 C.3 1 UNL1 -0.4538 25 C -6.4836 0.4349 0.7456 C.ar 1 UNL1 -0.2509 26 C 2.6416 1.4055 -0.8095 C.3 1 UNL1 -0.2945 27 C 2.0650 -0.9828 -0.3495 C.2 1 UNL1 -0.2660 28 C 3.0161 0.1301 -0.0440 C.3 1 UNL1 0.1333 29 C -7.5633 1.3136 0.4137 C.ar 1 UNL1 0.0238 30 C -6.7064 -0.9058 0.6684 C.ar 1 UNL1 0.2066 31 C -8.7628 0.8091 0.0364 C.ar 1 UNL1 -0.3895 32 C 5.1071 -0.9517 0.3318 C.3 1 UNL1 0.2745 33 C -8.9771 -0.6148 -0.0353 C.ar 1 UNL1 0.5899 34 C 6.3392 -1.3759 -0.5036 C.3 1 UNL1 0.0424 35 C 7.6313 -0.9290 0.2042 C.3 1 UNL1 0.0652 36 C 6.2331 1.0079 1.0900 C.3 1 UNL1 0.1274 37 C 7.6083 0.5811 0.5153 C.3 1 UNL1 -0.0122 38 C 6.3615 1.7733 2.3999 C.3 1 UNL1 -0.4711 39 C 9.0251 1.5132 -1.1515 C.3 1 UNL1 -0.1997 40 H -2.2820 -0.4515 -1.7248 H 1 UNL1 0.1438 41 H -0.9014 0.6793 0.7937 H 1 UNL1 0.1408 42 H -5.3172 2.0601 1.4809 H 1 UNL1 0.1362 43 H -2.8389 2.1678 1.2922 H 1 UNL1 0.1435 44 H -3.6064 3.1205 0.0185 H 1 UNL1 0.1385 45 H -2.1057 2.0635 -1.7029 H 1 UNL1 0.1442 46 H -1.1918 2.8839 -0.4374 H 1 UNL1 0.1385 47 H -2.3927 -0.4358 2.0539 H 1 UNL1 0.1453 48 H -3.5612 -1.7393 1.8060 H 1 UNL1 0.1624 49 H -2.0681 -2.6477 -0.5191 H 1 UNL1 0.1543 50 H -1.1683 -1.8760 0.7895 H 1 UNL1 0.1422 51 H -5.2079 -0.4091 2.8234 H 1 UNL1 0.1452 52 H -4.0443 0.8891 3.0185 H 1 UNL1 0.1340 53 H -5.5247 0.4074 -1.6067 H 1 UNL1 0.1564 54 H -5.2924 2.1460 -1.4726 H 1 UNL1 0.1499 55 H -4.0320 1.1520 -2.2084 H 1 UNL1 0.1460 56 H -0.2865 -1.9981 -2.1734 H 1 UNL1 0.1513 57 H 0.4111 -2.9086 -0.8375 H 1 UNL1 0.1490 58 H 1.0200 1.8467 0.5548 H 1 UNL1 0.1394 59 H 0.8938 2.6744 -0.9984 H 1 UNL1 0.1395 60 H -4.3493 -1.3356 -1.3661 H 1 UNL1 0.3218 61 H -0.6945 0.0746 -2.9790 H 1 UNL1 0.1457 62 H -0.2171 1.7706 -2.8488 H 1 UNL1 0.1438 63 H 1.0095 0.5230 -3.0932 H 1 UNL1 0.1556 64 H 2.8269 1.2601 -1.8917 H 1 UNL1 0.1620 65 H 3.2886 2.2466 -0.5055 H 1 UNL1 0.1431 66 H 2.4729 -1.9801 -0.2045 H 1 UNL1 0.1590 67 H 3.0798 0.3205 1.0529 H 1 UNL1 0.1357 68 H -7.3950 2.3916 0.4701 H 1 UNL1 0.1526 69 H -6.0025 -1.7179 0.8716 H 1 UNL1 0.1994 70 H -9.6134 1.4334 -0.2275 H 1 UNL1 0.1895 71 H 4.5644 -1.7948 0.8073 H 1 UNL1 0.1449 72 H 6.2739 -0.9942 -1.5495 H 1 UNL1 0.1822 73 H 8.5328 -1.2250 -0.3753 H 1 UNL1 0.1569 74 H 5.6610 1.5855 0.3237 H 1 UNL1 0.1587 75 H 8.4409 0.8426 1.2002 H 1 UNL1 0.1422 76 H 6.7381 -3.1987 0.1446 H 1 UNL1 0.3297 77 H 5.3713 2.0391 2.7942 H 1 UNL1 0.1627 78 H 6.8602 1.1760 3.1733 H 1 UNL1 0.1577 79 H 6.9295 2.7001 2.2615 H 1 UNL1 0.1553 80 H 7.0482 -1.3951 2.0322 H 1 UNL1 0.3393 81 H 8.8744 2.0615 -2.0910 H 1 UNL1 0.1499 82 H 9.5375 0.5665 -1.3444 H 1 UNL1 0.1250 83 H 9.5888 2.1254 -0.4414 H 1 UNL1 0.1224 @BOND 1 63 24 1 2 61 24 1 3 62 24 1 4 24 13 1 5 55 21 1 6 56 22 1 7 81 39 1 8 64 26 1 9 40 11 1 10 45 16 1 11 53 21 1 12 72 34 1 13 54 21 1 14 21 10 1 15 60 1 1 16 82 39 1 17 39 8 1 18 39 83 1 19 22 57 1 20 22 20 1 21 22 18 1 22 13 20 1 23 13 23 1 24 13 12 1 25 59 23 1 26 26 23 1 27 26 65 1 28 26 28 1 29 20 27 2 30 8 37 1 31 6 34 1 32 6 76 1 33 11 12 1 34 11 18 1 35 11 9 1 36 16 46 1 37 16 12 1 38 16 15 1 39 2 28 1 40 2 32 1 41 23 58 1 42 49 18 1 43 34 35 1 44 34 32 1 45 1 9 1 46 73 35 1 47 27 66 1 48 27 28 1 49 5 33 2 50 12 41 1 51 18 50 1 52 70 31 1 53 28 67 1 54 10 9 1 55 10 15 1 56 10 14 1 57 33 31 ar 58 33 3 ar 59 44 15 1 60 31 29 ar 61 9 17 1 62 35 37 1 63 35 7 1 64 15 43 1 65 3 30 ar 66 74 36 1 67 32 71 1 68 32 4 1 69 29 68 1 70 29 25 ar 71 37 36 1 72 37 75 1 73 30 25 ar 74 30 69 1 75 25 14 1 76 36 4 1 77 36 38 1 78 14 42 1 79 14 19 1 80 7 80 1 81 17 48 1 82 17 47 1 83 17 19 1 84 79 38 1 85 19 51 1 86 19 52 1 87 38 77 1 88 38 78 1