@MOLECULE saredutant 73 76 0 0 0 SMALL GASTEIGER @ATOM 1 CL 4.5030 1.3834 2.1005 Cl 1 UNL1111111111 -0.0479 2 CL 5.5218 3.7681 0.3140 Cl 1 UNL1111111111 -0.0455 3 O -5.3804 -0.1793 -2.3475 O.2 1 UNL1111111111 -0.5503 4 O 1.0478 -4.4724 -0.3992 O.2 1 UNL1111111111 -0.5185 5 N -1.3608 0.4933 -0.5657 N.3 1 UNL1111111111 -0.4231 6 N -4.8214 1.5187 -0.9289 N.am 1 UNL1111111111 -0.6386 7 N 2.1344 -3.0543 -1.7699 N.am 1 UNL1111111111 -0.4790 8 C -4.2154 0.7224 0.1625 C.3 1 UNL1111111111 0.2567 9 C -3.5558 -0.5942 -0.3010 C.3 1 UNL1111111111 -0.3022 10 C -3.0924 1.5898 0.7931 C.3 1 UNL1111111111 -0.3216 11 C -2.3800 -0.3379 -1.2536 C.3 1 UNL1111111111 -0.1008 12 C -1.9317 1.8100 -0.1954 C.3 1 UNL1111111111 -0.0981 13 C -0.1491 0.6553 -1.4058 C.3 1 UNL1111111111 -0.1166 14 C -5.3297 0.3922 1.1528 C.ar 1 UNL1111111111 -0.0631 15 C 0.7054 -0.6168 -1.2355 C.3 1 UNL1111111111 -0.2840 16 C 2.0235 -0.5050 -2.0081 C.3 1 UNL1111111111 -0.1559 17 C -5.3501 0.8965 2.4517 C.ar 1 UNL1111111111 -0.1629 18 C -6.3711 -0.4402 0.7290 C.ar 1 UNL1111111111 -0.1451 19 C 2.8733 -1.8189 -1.9953 C.3 1 UNL1111111111 -0.0769 20 C -5.3805 1.0042 -2.0815 C.2 1 UNL1111111111 0.6219 21 C 2.8789 0.5851 -1.4187 C.ar 1 UNL1111111111 0.0124 22 C -6.3941 0.5708 3.3179 C.ar 1 UNL1111111111 -0.1482 23 C -7.4134 -0.7636 1.5916 C.ar 1 UNL1111111111 -0.1456 24 C -5.9842 2.0364 -3.0022 C.3 1 UNL1111111111 -0.5331 25 C -7.4273 -0.2583 2.8910 C.ar 1 UNL1111111111 -0.1481 26 C 3.2423 0.5278 -0.0699 C.ar 1 UNL1111111111 -0.1772 27 C 3.3292 1.6434 -2.2114 C.ar 1 UNL1111111111 -0.1670 28 C 1.4018 -3.5769 -2.9277 C.3 1 UNL1111111111 -0.2307 29 C 1.8140 -3.5344 -0.5082 C.2 1 UNL1111111111 0.5722 30 C 4.0626 1.5117 0.4597 C.ar 1 UNL1111111111 0.0003 31 C 4.1447 2.6367 -1.6702 C.ar 1 UNL1111111111 -0.1379 32 C 4.5119 2.5599 -0.3315 C.ar 1 UNL1111111111 -0.0316 33 C 2.4587 -2.9102 0.6816 C.ar 1 UNL1111111111 -0.1170 34 C 1.6374 -2.2944 1.6264 C.ar 1 UNL1111111111 -0.1172 35 C 3.8380 -2.9734 0.8734 C.ar 1 UNL1111111111 -0.1349 36 C 2.2105 -1.6797 2.7381 C.ar 1 UNL1111111111 -0.1503 37 C 4.4051 -2.3603 1.9887 C.ar 1 UNL1111111111 -0.1506 38 C 3.5933 -1.7044 2.9135 C.ar 1 UNL1111111111 -0.1245 39 H -3.1974 -1.1412 0.5955 H 1 UNL1111111111 0.1638 40 H -4.2893 -1.2624 -0.7961 H 1 UNL1111111111 0.1787 41 H -2.6979 1.0625 1.6874 H 1 UNL1111111111 0.1723 42 H -3.4796 2.5627 1.1376 H 1 UNL1111111111 0.1355 43 H -2.7481 0.1185 -2.1974 H 1 UNL1111111111 0.1226 44 H -1.9136 -1.3112 -1.5253 H 1 UNL1111111111 0.1411 45 H -1.1357 2.4044 0.3056 H 1 UNL1111111111 0.1368 46 H -2.2768 2.3940 -1.0737 H 1 UNL1111111111 0.1108 47 H -0.3797 0.8331 -2.4752 H 1 UNL1111111111 0.1121 48 H 0.4306 1.5355 -1.0522 H 1 UNL1111111111 0.1385 49 H -4.9081 2.5049 -0.7295 H 1 UNL1111111111 0.3084 50 H 0.8831 -0.7825 -0.1546 H 1 UNL1111111111 0.1650 51 H 0.1315 -1.5017 -1.5733 H 1 UNL1111111111 0.1596 52 H 1.7769 -0.2724 -3.0741 H 1 UNL1111111111 0.1494 53 H -4.5577 1.5468 2.8150 H 1 UNL1111111111 0.1495 54 H -6.3701 -0.8398 -0.2895 H 1 UNL1111111111 0.1776 55 H 3.6802 -1.7352 -1.2301 H 1 UNL1111111111 0.1558 56 H 3.4055 -1.8993 -2.9726 H 1 UNL1111111111 0.1455 57 H -6.3981 0.9679 4.3306 H 1 UNL1111111111 0.1459 58 H -8.2175 -1.4127 1.2501 H 1 UNL1111111111 0.1509 59 H -5.2686 2.8181 -3.2802 H 1 UNL1111111111 0.1674 60 H -6.8640 2.5138 -2.5518 H 1 UNL1111111111 0.1744 61 H -6.3200 1.5514 -3.9337 H 1 UNL1111111111 0.1883 62 H -8.2404 -0.5118 3.5667 H 1 UNL1111111111 0.1464 63 H 2.8816 -0.2909 0.5633 H 1 UNL1111111111 0.1960 64 H 3.0458 1.6982 -3.2621 H 1 UNL1111111111 0.1631 65 H 0.7340 -2.8173 -3.3657 H 1 UNL1111111111 0.1357 66 H 0.7818 -4.4502 -2.6389 H 1 UNL1111111111 0.1795 67 H 2.1145 -3.9174 -3.6978 H 1 UNL1111111111 0.1382 68 H 4.4909 3.4607 -2.2958 H 1 UNL1111111111 0.1725 69 H 0.5522 -2.2971 1.4959 H 1 UNL1111111111 0.1741 70 H 4.4680 -3.5018 0.1587 H 1 UNL1111111111 0.1581 71 H 1.5758 -1.1817 3.4695 H 1 UNL1111111111 0.1586 72 H 5.4829 -2.3936 2.1376 H 1 UNL1111111111 0.1551 73 H 4.0408 -1.2166 3.7792 H 1 UNL1111111111 0.1532 @BOND 1 1 30 1 2 2 32 1 3 3 20 2 4 4 29 2 5 5 11 1 6 5 12 1 7 5 13 1 8 6 8 1 9 6 20 am 10 6 49 1 11 7 19 1 12 7 28 1 13 7 29 am 14 8 9 1 15 8 10 1 16 8 14 1 17 9 11 1 18 9 39 1 19 9 40 1 20 10 12 1 21 10 41 1 22 10 42 1 23 11 43 1 24 11 44 1 25 12 45 1 26 12 46 1 27 13 15 1 28 13 47 1 29 13 48 1 30 14 17 ar 31 14 18 ar 32 15 16 1 33 15 50 1 34 15 51 1 35 16 19 1 36 16 21 1 37 16 52 1 38 17 22 ar 39 17 53 1 40 18 23 ar 41 18 54 1 42 19 55 1 43 19 56 1 44 20 24 1 45 21 26 ar 46 21 27 ar 47 22 25 ar 48 22 57 1 49 23 25 ar 50 23 58 1 51 24 59 1 52 24 60 1 53 24 61 1 54 25 62 1 55 26 30 ar 56 26 63 1 57 27 31 ar 58 27 64 1 59 28 65 1 60 28 66 1 61 28 67 1 62 29 33 1 63 30 32 ar 64 31 32 ar 65 31 68 1 66 33 34 ar 67 33 35 ar 68 34 36 ar 69 34 69 1 70 35 37 ar 71 35 70 1 72 36 38 ar 73 36 71 1 74 37 38 ar 75 37 72 1 76 38 73 1