@MOLECULE unilax 48 51 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.4253 -1.4905 2.3575 O.2 1 UNL111111 -0.4498 2 O 0.0678 -5.3166 0.8717 O.2 1 UNL111111 -0.4859 3 O -4.4545 2.5977 0.8840 O.3 1 UNL111111 -0.4088 4 O 4.9023 2.0218 -0.3453 O.3 1 UNL111111 -0.4126 5 O -4.6761 3.4270 -1.2458 O.2 1 UNL111111 -0.4469 6 O 4.1888 4.0564 0.4322 O.2 1 UNL111111 -0.4509 7 N 0.0772 -3.0616 0.6968 N.am 1 UNL111111 -0.5556 8 C 0.0058 -0.7320 0.0349 C.3 1 UNL111111 -0.0133 9 C -0.2980 -1.6566 -1.1195 C.ar 1 UNL111111 -0.1102 10 C 0.2007 -1.7344 1.2074 C.2 1 UNL111111 0.5820 11 C -0.2433 -3.0064 -0.6915 C.ar 1 UNL111111 0.1813 12 C -1.1752 0.1748 0.2620 C.ar 1 UNL111111 -0.0406 13 C 1.3039 0.0226 -0.0809 C.ar 1 UNL111111 -0.0725 14 C -0.6289 -1.3456 -2.4216 C.ar 1 UNL111111 -0.0964 15 C -0.4975 -4.0471 -1.5710 C.ar 1 UNL111111 -0.1919 16 C -1.2185 1.4131 -0.3839 C.ar 1 UNL111111 -0.0960 17 C 1.6473 0.9125 0.9443 C.ar 1 UNL111111 -0.0797 18 C -2.2451 -0.2337 1.0636 C.ar 1 UNL111111 -0.1091 19 C 2.1622 -0.1602 -1.1667 C.ar 1 UNL111111 -0.0984 20 C 0.2441 -4.2629 1.4312 C.2 1 UNL111111 0.6422 21 C -0.8882 -2.3930 -3.3140 C.ar 1 UNL111111 -0.1826 22 C -0.8188 -3.7175 -2.8927 C.ar 1 UNL111111 -0.1070 23 C -2.3188 2.2557 -0.2328 C.ar 1 UNL111111 -0.2170 24 C 2.8319 1.6372 0.8847 C.ar 1 UNL111111 -0.2286 25 C -3.3541 0.5874 1.2267 C.ar 1 UNL111111 -0.2152 26 C 3.3513 0.5567 -1.2498 C.ar 1 UNL111111 -0.2328 27 C -3.3659 1.8226 0.5743 C.ar 1 UNL111111 0.2463 28 C 3.6638 1.4449 -0.2165 C.ar 1 UNL111111 0.2610 29 C 0.6355 -4.1304 2.8642 C.3 1 UNL111111 -0.5155 30 C -5.0427 3.3810 -0.0831 C.2 1 UNL111111 0.2228 31 C 5.0866 3.3434 0.0106 C.2 1 UNL111111 0.2174 32 C -6.1444 4.0977 0.4670 C.3 1 UNL111111 0.4265 33 C 6.4320 3.7450 -0.2036 C.3 1 UNL111111 0.4098 34 H -0.6961 -0.3072 -2.7483 H 1 UNL111111 0.1668 35 H -0.4552 -5.0894 -1.2528 H 1 UNL111111 0.1940 36 H -0.3831 1.7345 -1.0109 H 1 UNL111111 0.1731 37 H 0.9800 1.0328 1.8037 H 1 UNL111111 0.1800 38 H -2.2263 -1.2012 1.5670 H 1 UNL111111 0.1619 39 H 1.9114 -0.8653 -1.9616 H 1 UNL111111 0.1686 40 H -1.1507 -2.1647 -4.3447 H 1 UNL111111 0.1541 41 H -1.0235 -4.5228 -3.6009 H 1 UNL111111 0.1518 42 H -2.3546 3.2177 -0.7361 H 1 UNL111111 0.1811 43 H 3.0983 2.3393 1.6736 H 1 UNL111111 0.1829 44 H -4.1950 0.2849 1.8445 H 1 UNL111111 0.1700 45 H 4.0288 0.4315 -2.0877 H 1 UNL111111 0.1693 46 H -0.1232 -3.5873 3.4534 H 1 UNL111111 0.1964 47 H 1.5754 -3.5652 2.9886 H 1 UNL111111 0.1965 48 H 0.7740 -5.1212 3.3237 H 1 UNL111111 0.1812 @BOND 1 40 21 1 2 41 22 1 3 21 22 ar 4 21 14 ar 5 22 15 ar 6 34 14 1 7 14 9 ar 8 45 26 1 9 39 19 1 10 15 35 1 11 15 11 ar 12 5 30 2 13 26 19 ar 14 26 28 ar 15 19 13 ar 16 9 11 ar 17 9 8 1 18 36 16 1 19 42 23 1 20 11 7 1 21 16 23 ar 22 16 12 ar 23 4 28 1 24 4 31 1 25 23 27 ar 26 28 24 ar 27 33 31 1 28 30 32 1 29 30 3 1 30 13 8 1 31 13 17 ar 32 31 6 2 33 8 12 1 34 8 10 1 35 12 18 ar 36 27 3 1 37 27 25 ar 38 7 10 am 39 7 20 am 40 2 20 2 41 24 17 ar 42 24 43 1 43 17 37 1 44 18 25 ar 45 18 38 1 46 10 1 2 47 25 44 1 48 20 29 1 49 29 47 1 50 29 48 1 51 29 46 1