@MOLECULE am-8553 61 63 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -3.7259 -3.0148 -2.7212 Cl 1 UNL11111111 -0.0897 2 CL -2.9942 4.7276 1.4629 Cl 1 UNL11111111 -0.0852 3 O 3.8563 -0.2304 -0.2541 O.2 1 UNL11111111 -0.5778 4 O 4.0854 1.1192 -2.5577 O.3 1 UNL11111111 -0.5777 5 O 0.7839 -2.0594 3.6358 O.3 1 UNL11111111 -0.5766 6 O 2.0501 -3.7689 2.9759 O.2 1 UNL11111111 -0.4999 7 N 1.7052 0.4022 -0.5178 N.am 1 UNL11111111 -0.5171 8 C 2.2863 -1.8114 0.5712 C.3 1 UNL11111111 0.0384 9 C -0.1001 -1.0836 0.4401 C.3 1 UNL11111111 -0.1553 10 C 0.2581 0.1083 -0.4909 C.3 1 UNL11111111 0.0819 11 C 0.8660 -2.2386 0.1882 C.3 1 UNL11111111 -0.3029 12 C 2.6694 -0.4934 -0.1244 C.2 1 UNL11111111 0.5682 13 C 2.0663 1.6467 -1.2428 C.3 1 UNL11111111 0.0280 14 C 2.4442 -1.5292 2.0811 C.3 1 UNL11111111 -0.3647 15 C 3.2760 -2.8887 0.1265 C.3 1 UNL11111111 -0.4596 16 C -1.5269 -1.4827 0.1926 C.ar 1 UNL11111111 0.0165 17 C -0.5325 1.3059 -0.0017 C.ar 1 UNL11111111 -0.0596 18 C 2.7159 1.3960 -2.6406 C.3 1 UNL11111111 0.1511 19 C 2.9719 2.5247 -0.3557 C.3 1 UNL11111111 -0.2770 20 C 1.7967 -2.5973 2.9004 C.2 1 UNL11111111 0.6558 21 C -1.9127 -2.0384 -1.0296 C.ar 1 UNL11111111 -0.2012 22 C -2.4819 -1.2653 1.1898 C.ar 1 UNL11111111 -0.1688 23 C -0.1884 1.9498 1.1886 C.ar 1 UNL11111111 -0.1163 24 C -1.6399 1.7292 -0.7395 C.ar 1 UNL11111111 -0.1347 25 C 2.0195 0.2789 -3.4209 C.3 1 UNL11111111 -0.4961 26 C 2.8374 3.9971 -0.7348 C.3 1 UNL11111111 -0.4383 27 C -3.2520 -2.3477 -1.2174 C.ar 1 UNL11111111 0.0395 28 C -3.8193 -1.5893 0.9720 C.ar 1 UNL11111111 -0.1111 29 C -0.9508 3.0195 1.6509 C.ar 1 UNL11111111 -0.1713 30 C -2.4145 2.7952 -0.2868 C.ar 1 UNL11111111 -0.1655 31 C -4.2209 -2.1352 -0.2466 C.ar 1 UNL11111111 -0.1807 32 C -2.0503 3.4163 0.9003 C.ar 1 UNL11111111 0.0289 33 H 0.0104 -0.7543 1.5099 H 1 UNL11111111 0.1777 34 H -0.0462 -0.1509 -1.5463 H 1 UNL11111111 0.1522 35 H 0.8370 -2.5557 -0.8735 H 1 UNL11111111 0.1593 36 H 0.5577 -3.1397 0.7573 H 1 UNL11111111 0.1712 37 H 1.1127 2.2122 -1.4394 H 1 UNL11111111 0.1499 38 H 3.5296 -1.4718 2.3371 H 1 UNL11111111 0.2007 39 H 2.0338 -0.5284 2.3447 H 1 UNL11111111 0.1844 40 H 3.1346 -3.8193 0.6950 H 1 UNL11111111 0.1730 41 H 4.3185 -2.5675 0.2781 H 1 UNL11111111 0.1768 42 H 3.1767 -3.1259 -0.9385 H 1 UNL11111111 0.1542 43 H 2.6969 2.3531 -3.2188 H 1 UNL11111111 0.1385 44 H 2.7128 2.3806 0.7099 H 1 UNL11111111 0.1427 45 H 4.0314 2.2005 -0.4442 H 1 UNL11111111 0.1763 46 H -1.1800 -2.2248 -1.8141 H 1 UNL11111111 0.1739 47 H -2.1828 -0.8317 2.1446 H 1 UNL11111111 0.1650 48 H 0.6835 1.6190 1.7548 H 1 UNL11111111 0.1662 49 H -1.9117 1.2238 -1.6668 H 1 UNL11111111 0.1632 50 H 2.0886 -0.6814 -2.9000 H 1 UNL11111111 0.1513 51 H 0.9680 0.5049 -3.6106 H 1 UNL11111111 0.1438 52 H 2.5185 0.1411 -4.3907 H 1 UNL11111111 0.1660 53 H 3.4747 4.6233 -0.0984 H 1 UNL11111111 0.1489 54 H 1.8091 4.3573 -0.6240 H 1 UNL11111111 0.1393 55 H 3.1489 4.1742 -1.7718 H 1 UNL11111111 0.1510 56 H 4.2673 0.5450 -1.7735 H 1 UNL11111111 0.3562 57 H -4.5562 -1.4118 1.7555 H 1 UNL11111111 0.1594 58 H -0.6851 3.5267 2.5781 H 1 UNL11111111 0.1740 59 H -3.2837 3.1254 -0.8556 H 1 UNL11111111 0.1744 60 H -5.2659 -2.3857 -0.4237 H 1 UNL11111111 0.1727 61 H 0.3167 -2.7109 4.2122 H 1 UNL11111111 0.3566 @BOND 1 41 15 1 2 56 4 1 3 3 12 2 4 38 14 1 5 4 18 1 6 45 19 1 7 40 15 1 8 15 42 1 9 15 8 1 10 53 26 1 11 14 8 1 12 14 20 1 13 14 39 1 14 6 20 2 15 12 8 1 16 12 7 am 17 19 44 1 18 19 26 1 19 19 13 1 20 8 11 1 21 55 26 1 22 18 43 1 23 18 13 1 24 18 25 1 25 20 5 1 26 26 54 1 27 52 25 1 28 50 25 1 29 13 7 1 30 13 37 1 31 25 51 1 32 7 10 1 33 5 61 1 34 11 35 1 35 11 36 1 36 11 9 1 37 48 23 1 38 10 9 1 39 10 34 1 40 10 17 1 41 33 9 1 42 9 16 1 43 23 17 ar 44 23 29 ar 45 17 24 ar 46 58 29 1 47 46 21 1 48 29 32 ar 49 16 21 ar 50 16 22 ar 51 21 27 ar 52 24 49 1 53 24 30 ar 54 47 22 1 55 22 28 ar 56 32 30 ar 57 32 2 1 58 30 59 1 59 27 1 1 60 27 31 ar 61 28 31 ar 62 28 57 1 63 31 60 1