@MOLECULE omega_29_7 65 68 0 0 0 SMALL GASTEIGER Energy = 0 @ATOM 1 C -0.1005 5.3140 5.7629 C.ar 1 LIG1 -0.0573 2 C 0.0441 4.6235 4.5597 C.ar 1 LIG1 -0.0396 3 C 0.8732 5.1979 6.7550 C.ar 1 LIG1 -0.0256 4 C 1.9925 1.6193 0.4508 C.ar 1 LIG1 -0.0318 5 C -3.2732 2.9966 4.2263 C.ar 1 LIG1 0.0063 6 C -5.7898 4.1483 3.8757 C.ar 1 LIG1 0.0038 7 C 1.7110 0.9519 -0.7225 C.ar 1 LIG1 0.0042 8 C 0.7555 1.9502 1.0607 C.ar 1 LIG1 0.0588 9 C 2.1359 3.7006 5.3406 C.ar 1 LIG1 0.0927 10 C 1.1622 3.8168 4.3485 C.ar 1 LIG1 0.0474 11 C -3.8802 2.9772 2.9707 C.ar 1 LIG1 0.0793 12 C -3.9245 3.5918 5.3068 C.ar 1 LIG1 0.1407 13 C -5.1385 3.5531 2.7953 C.ar 1 LIG1 0.1428 14 C 1.9913 4.3912 6.5439 C.ar 1 LIG1 0.1373 15 C -5.1828 4.1677 5.1314 C.ar 1 LIG1 0.0861 16 C -0.2480 1.4672 0.2297 C.ar 1 LIG1 0.1451 17 C 0.3447 2.6032 2.2219 C.ar 1 LIG1 0.1373 18 C -1.8422 2.2145 1.5820 C.ar 1 LIG1 0.2232 19 C 3.3141 2.8646 5.1469 C.cat 1 LIG1 0.2461 20 C -3.0143 -0.7951 8.7059 C.3 1 LIG1 -0.0433 21 C -0.7173 -1.0638 8.0546 C.3 1 LIG1 -0.0433 22 C -5.4900 4.6515 0.7155 C.3 1 LIG1 0.0789 23 C -2.4578 2.2361 8.3061 C.3 1 LIG1 0.0217 24 C -1.5337 1.0970 8.7158 C.3 1 LIG1 -0.0293 25 C -2.4303 2.5092 6.8071 C.3 1 LIG1 0.0945 26 N -1.5737 1.5653 0.4309 N.ar 1 LIG1 -0.1963 27 N -0.9768 2.7345 2.4814 N.ar 1 LIG1 -0.1984 28 N 0.3480 0.8645 -0.8461 N.ar 1 LIG1 -0.3456 29 N 3.2316 1.5338 5.5409 N.am 1 LIG1 -0.3252 30 N 1.2883 3.1260 3.1248 N.pl3 1 LIG1 -0.2981 31 N -3.2126 2.3730 1.8905 N.pl3 1 LIG1 -0.2805 32 N -1.8633 -0.1410 8.0639 N.4 1 LIG1 0.2310 33 O 4.3605 3.3267 4.6634 O.2 1 LIG1 -0.2703 34 O -5.7482 3.5445 1.5763 O.3 1 LIG1 -0.4932 35 O -3.3080 3.5962 6.5226 O.3 1 LIG1 -0.4902 36 F 2.9200 4.2877 7.5053 F 1 LIG1 -0.2046 37 CL -6.0109 4.9104 6.4500 Cl 1 LIG1 -0.0796 38 H -0.9835 5.9510 5.9297 H 1 LIG1 0.0619 39 H -0.7247 4.7153 3.7762 H 1 LIG1 0.0636 40 H 0.7591 5.7433 7.7052 H 1 LIG1 0.0646 41 H 2.9950 1.8528 0.8428 H 1 LIG1 0.0640 42 H -2.2795 2.5419 4.3647 H 1 LIG1 0.0674 43 H -6.7835 4.6030 3.7372 H 1 LIG1 0.0670 44 H 2.4517 0.5577 -1.4361 H 1 LIG1 0.0807 45 H -3.2477 -1.7712 8.1652 H 1 LIG1 0.0777 46 H -3.9220 -0.1057 8.6854 H 1 LIG1 0.0777 47 H -2.7582 -1.0212 9.7935 H 1 LIG1 0.0777 48 H -1.0130 -2.0326 7.5315 H 1 LIG1 0.0777 49 H -0.3754 -1.2793 9.1206 H 1 LIG1 0.0777 50 H 0.1475 -0.5817 7.4895 H 1 LIG1 0.0777 51 H -6.0598 4.5142 -0.2623 H 1 LIG1 0.0660 52 H -4.3719 4.7406 0.5116 H 1 LIG1 0.0660 53 H -5.8412 5.6103 1.2224 H 1 LIG1 0.0660 54 H -2.1747 3.1832 8.8740 H 1 LIG1 0.0350 55 H -3.5202 1.9173 8.5695 H 1 LIG1 0.0350 56 H -1.5719 0.9584 9.8467 H 1 LIG1 0.0815 57 H -0.4793 1.3818 8.3890 H 1 LIG1 0.0815 58 H -2.7484 1.5800 6.2283 H 1 LIG1 0.0698 59 H -1.3701 2.7786 6.4861 H 1 LIG1 0.0698 60 H -0.1759 0.3921 -1.6672 H 1 LIG1 0.1668 61 H 2.3106 1.1496 5.9603 H 1 LIG1 0.1453 62 H 4.0884 0.8819 5.4283 H 1 LIG1 0.1453 63 H 2.3148 2.9667 2.8203 H 1 LIG1 0.1536 64 H -3.8779 1.9460 1.1510 H 1 LIG1 0.1551 65 H -2.1336 0.1109 7.0066 H 1 LIG1 0.2028 @BOND 1 1 2 ar 2 1 3 ar 3 1 38 1 4 2 10 ar 5 2 39 1 6 3 14 ar 7 3 40 1 8 4 7 ar 9 4 8 ar 10 4 41 1 11 5 11 ar 12 5 12 ar 13 5 42 1 14 6 13 ar 15 6 15 ar 16 6 43 1 17 7 28 ar 18 7 44 1 19 8 16 ar 20 8 17 ar 21 9 10 ar 22 9 14 ar 23 9 19 1 24 10 30 1 25 11 13 ar 26 11 31 1 27 12 15 ar 28 12 35 1 29 13 34 1 30 14 36 1 31 15 37 1 32 16 26 ar 33 16 28 ar 34 17 27 ar 35 17 30 1 36 18 26 ar 37 18 27 ar 38 18 31 1 39 19 29 am 40 19 33 2 41 20 32 1 42 20 45 1 43 20 46 1 44 20 47 1 45 21 32 1 46 21 48 1 47 21 49 1 48 21 50 1 49 22 34 1 50 22 51 1 51 22 52 1 52 22 53 1 53 23 24 1 54 23 25 1 55 23 54 1 56 23 55 1 57 24 32 1 58 24 56 1 59 24 57 1 60 25 35 1 61 25 58 1 62 25 59 1 63 28 60 1 64 29 61 1 65 29 62 1 66 30 63 1 67 31 64 1 68 32 65 1