@MOLECULE arildone 54 54 0 0 0 SMALL GASTEIGER @ATOM 1 CL 1.3150 -0.1819 2.0950 Cl 1 UNL1111111111 -0.0282 2 O 2.8021 1.4835 0.3002 O.3 1 UNL1111111111 -0.3071 3 O -2.9183 -1.9568 -1.3515 O.2 1 UNL1111111111 -0.4491 4 O -0.4261 -3.2647 1.1465 O.2 1 UNL1111111111 -0.4482 5 O -2.5406 2.6063 0.7565 O.3 1 UNL1111111111 -0.3009 6 C 0.1960 -2.5616 -1.4493 C.3 1 UNL1111111111 -0.2384 7 C 1.6572 -2.5290 -0.9828 C.3 1 UNL1111111111 -0.2715 8 C -0.6887 -1.6504 -0.5828 C.3 1 UNL1111111111 -0.3601 9 C 2.3700 -1.2458 -1.4266 C.3 1 UNL1111111111 -0.2694 10 C 3.6333 -1.0129 -0.5905 C.3 1 UNL1111111111 -0.2586 11 C 4.3758 0.2714 -0.9807 C.3 1 UNL1111111111 -0.2964 12 C -1.9250 -1.2777 -1.3768 C.2 1 UNL1111111111 0.4793 13 C -1.0533 -2.3253 0.7332 C.2 1 UNL1111111111 0.5054 14 C -1.8196 -0.0119 -2.1895 C.3 1 UNL1111111111 -0.3646 15 C -2.2209 -1.7420 1.4867 C.3 1 UNL1111111111 -0.3658 16 C 3.4701 1.5056 -0.9683 C.3 1 UNL1111111111 -0.0472 17 C -3.1163 0.2733 -2.9368 C.3 1 UNL1111111111 -0.4155 18 C -1.9887 -1.8278 2.9903 C.3 1 UNL1111111111 -0.4163 19 C 1.4797 1.7988 0.2804 C.ar 1 UNL1111111111 0.1470 20 C 0.6713 1.1048 1.1929 C.ar 1 UNL1111111111 -0.0274 21 C 0.9215 2.7995 -0.5147 C.ar 1 UNL1111111111 -0.1924 22 C -0.6643 1.4212 1.3537 C.ar 1 UNL1111111111 -0.2350 23 C -0.4342 3.1038 -0.4015 C.ar 1 UNL1111111111 -0.2484 24 C -1.2122 2.4205 0.5322 C.ar 1 UNL1111111111 0.2062 25 C -3.2134 3.5359 -0.0809 C.3 1 UNL1111111111 -0.2041 26 H 0.1325 -2.2722 -2.5143 H 1 UNL1111111111 0.1325 27 H -0.1859 -3.6033 -1.3935 H 1 UNL1111111111 0.1610 28 H 2.1947 -3.4136 -1.3721 H 1 UNL1111111111 0.1380 29 H 1.6926 -2.6347 0.1224 H 1 UNL1111111111 0.1676 30 H -0.1126 -0.7248 -0.3235 H 1 UNL1111111111 0.1867 31 H 2.6239 -1.3008 -2.4999 H 1 UNL1111111111 0.1279 32 H 1.6875 -0.3816 -1.3172 H 1 UNL1111111111 0.1332 33 H 4.3159 -1.8782 -0.6898 H 1 UNL1111111111 0.1344 34 H 3.3669 -0.9655 0.4851 H 1 UNL1111111111 0.1600 35 H 5.2201 0.4229 -0.2782 H 1 UNL1111111111 0.1500 36 H 4.8262 0.1646 -1.9857 H 1 UNL1111111111 0.1414 37 H -0.9706 -0.0914 -2.8985 H 1 UNL1111111111 0.1644 38 H -1.5681 0.8399 -1.5210 H 1 UNL1111111111 0.1671 39 H -3.1328 -2.3161 1.1992 H 1 UNL1111111111 0.1845 40 H -2.4332 -0.7005 1.1807 H 1 UNL1111111111 0.1547 41 H 2.7607 1.4943 -1.8114 H 1 UNL1111111111 0.1266 42 H 4.0485 2.4465 -0.9827 H 1 UNL1111111111 0.1272 43 H -3.3738 -0.5501 -3.6170 H 1 UNL1111111111 0.1564 44 H -3.9614 0.3746 -2.2424 H 1 UNL1111111111 0.1549 45 H -3.0498 1.1910 -3.5282 H 1 UNL1111111111 0.1339 46 H -1.1439 -1.2065 3.3100 H 1 UNL1111111111 0.1495 47 H -2.8726 -1.5071 3.5513 H 1 UNL1111111111 0.1401 48 H -1.7551 -2.8589 3.2948 H 1 UNL1111111111 0.1622 49 H 1.5425 3.3540 -1.2148 H 1 UNL1111111111 0.1646 50 H -1.2946 0.9217 2.0925 H 1 UNL1111111111 0.1979 51 H -0.8613 3.8800 -1.0295 H 1 UNL1111111111 0.1655 52 H -2.8220 4.5475 0.0619 H 1 UNL1111111111 0.1343 53 H -3.1640 3.2280 -1.1297 H 1 UNL1111111111 0.1340 54 H -4.2465 3.4701 0.2897 H 1 UNL1111111111 0.1563 @BOND 1 1 20 1 2 2 16 1 3 2 19 1 4 3 12 2 5 4 13 2 6 5 24 1 7 5 25 1 8 6 7 1 9 6 8 1 10 6 26 1 11 6 27 1 12 7 9 1 13 7 28 1 14 7 29 1 15 8 12 1 16 8 13 1 17 8 30 1 18 9 10 1 19 9 31 1 20 9 32 1 21 10 11 1 22 10 33 1 23 10 34 1 24 11 16 1 25 11 35 1 26 11 36 1 27 12 14 1 28 13 15 1 29 14 17 1 30 14 37 1 31 14 38 1 32 15 18 1 33 15 39 1 34 15 40 1 35 16 41 1 36 16 42 1 37 17 43 1 38 17 44 1 39 17 45 1 40 18 46 1 41 18 47 1 42 18 48 1 43 19 20 ar 44 19 21 ar 45 20 22 ar 46 21 23 ar 47 21 49 1 48 22 24 ar 49 22 50 1 50 23 24 ar 51 23 51 1 52 25 52 1 53 25 53 1 54 25 54 1