@MOLECULE flarex 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 F -1.0460 -0.3766 1.3278 F 1 UNL1111111111 -0.2226 2 O 3.4664 -0.1266 1.9528 O.3 1 UNL1111111111 -0.5629 3 O 0.1175 -2.1132 -1.5077 O.3 1 UNL1111111111 -0.5593 4 O 5.3186 0.0999 -0.9106 O.2 1 UNL1111111111 -0.4640 5 O -5.7347 -0.7427 1.4456 O.2 1 UNL1111111111 -0.4516 6 C 2.1887 -0.1330 -0.1343 C.3 1 UNL1111111111 0.0288 7 C 1.2451 1.0111 0.3267 C.3 1 UNL1111111111 -0.1397 8 C -0.0969 0.9256 -0.3906 C.3 1 UNL1111111111 -0.1664 9 C -0.7791 -0.4138 -0.0033 C.3 1 UNL1111111111 0.1726 10 C 3.5011 0.2880 0.6062 C.3 1 UNL1111111111 0.1671 11 C 1.5896 -1.4639 0.3086 C.3 1 UNL1111111111 -0.3529 12 C 0.1451 -1.6678 -0.1796 C.3 1 UNL1111111111 0.1225 13 C 2.0942 2.2809 0.1415 C.3 1 UNL1111111111 -0.2748 14 C -2.1819 -0.5434 -0.6954 C.3 1 UNL1111111111 -0.0151 15 C 3.5258 1.8322 0.5134 C.3 1 UNL1111111111 -0.3259 16 C -0.9893 2.1160 -0.0229 C.3 1 UNL1111111111 -0.2843 17 C -2.3625 1.9952 -0.7104 C.3 1 UNL1111111111 -0.1106 18 C 2.4739 -0.1295 -1.6396 C.3 1 UNL1111111111 -0.4661 19 C -2.9812 0.6860 -0.2979 C.2 1 UNL1111111111 0.0763 20 C 4.7606 -0.3775 0.0450 C.2 1 UNL1111111111 0.4794 21 C -2.1023 -0.6019 -2.2297 C.3 1 UNL1111111111 -0.4436 22 C -2.8161 -1.8343 -0.2502 C.2 1 UNL1111111111 -0.0833 23 C -3.2122 3.2212 -0.3689 C.3 1 UNL1111111111 -0.4474 24 C -4.1324 0.5990 0.3795 C.2 1 UNL1111111111 -0.3332 25 C -3.9626 -1.9043 0.4295 C.2 1 UNL1111111111 -0.2850 26 C 5.2337 -1.6146 0.7276 C.3 1 UNL1111111111 -0.5297 27 C -4.7049 -0.6865 0.8112 C.2 1 UNL1111111111 0.4773 28 H 1.0590 0.9028 1.4272 H 1 UNL1111111111 0.1485 29 H 0.0648 0.9314 -1.4957 H 1 UNL1111111111 0.1516 30 H 1.6190 -1.5465 1.4158 H 1 UNL1111111111 0.1729 31 H 2.2060 -2.3107 -0.0562 H 1 UNL1111111111 0.1640 32 H -0.3059 -2.5457 0.3544 H 1 UNL1111111111 0.1583 33 H 1.7460 3.1077 0.7782 H 1 UNL1111111111 0.1415 34 H 2.0485 2.6488 -0.8964 H 1 UNL1111111111 0.1456 35 H 4.2574 2.1694 -0.2442 H 1 UNL1111111111 0.1719 36 H 3.8597 2.2711 1.4675 H 1 UNL1111111111 0.1549 37 H -0.5001 3.0605 -0.3246 H 1 UNL1111111111 0.1459 38 H -1.1213 2.1895 1.0744 H 1 UNL1111111111 0.1607 39 H -2.2144 1.9838 -1.8224 H 1 UNL1111111111 0.1492 40 H 1.5610 -0.1134 -2.2450 H 1 UNL1111111111 0.1381 41 H 3.0630 0.7502 -1.9413 H 1 UNL1111111111 0.1740 42 H 3.0626 -1.0071 -1.9381 H 1 UNL1111111111 0.1586 43 H -1.7430 -1.5814 -2.5799 H 1 UNL1111111111 0.1765 44 H -3.0971 -0.4540 -2.6724 H 1 UNL1111111111 0.1602 45 H -1.4358 0.1569 -2.6474 H 1 UNL1111111111 0.1435 46 H -2.2707 -2.7337 -0.5500 H 1 UNL1111111111 0.1639 47 H 2.7673 0.3480 2.4500 H 1 UNL1111111111 0.3296 48 H 0.6358 -1.5280 -2.1016 H 1 UNL1111111111 0.3231 49 H -3.3677 3.3211 0.7125 H 1 UNL1111111111 0.1557 50 H -2.7324 4.1436 -0.7160 H 1 UNL1111111111 0.1457 51 H -4.1994 3.1696 -0.8445 H 1 UNL1111111111 0.1530 52 H -4.7189 1.4693 0.6730 H 1 UNL1111111111 0.1820 53 H -4.4153 -2.8446 0.7400 H 1 UNL1111111111 0.1780 54 H 5.5492 -1.3862 1.7614 H 1 UNL1111111111 0.1939 55 H 4.4341 -2.3638 0.8152 H 1 UNL1111111111 0.1787 56 H 6.0866 -2.0726 0.2063 H 1 UNL1111111111 0.1751 @BOND 1 1 9 1 2 2 10 1 3 2 47 1 4 3 12 1 5 3 48 1 6 4 20 2 7 5 27 2 8 6 7 1 9 6 10 1 10 6 11 1 11 6 18 1 12 7 8 1 13 7 13 1 14 7 28 1 15 8 9 1 16 8 16 1 17 8 29 1 18 9 12 1 19 9 14 1 20 10 15 1 21 10 20 1 22 11 12 1 23 11 30 1 24 11 31 1 25 12 32 1 26 13 15 1 27 13 33 1 28 13 34 1 29 14 19 1 30 14 21 1 31 14 22 1 32 15 35 1 33 15 36 1 34 16 17 1 35 16 37 1 36 16 38 1 37 17 19 1 38 17 23 1 39 17 39 1 40 18 40 1 41 18 41 1 42 18 42 1 43 19 24 2 44 20 26 1 45 21 43 1 46 21 44 1 47 21 45 1 48 22 25 2 49 22 46 1 50 23 49 1 51 23 50 1 52 23 51 1 53 24 27 1 54 24 52 1 55 25 27 1 56 25 53 1 57 26 54 1 58 26 55 1 59 26 56 1