@MOLECULE ananxyl 50 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -5.6054 1.4123 -0.2994 Cl 1 UNL1 -0.0302 2 CL 6.3612 0.5390 -0.4090 Cl 1 UNL1 -0.0952 3 O -2.3596 -1.8542 -1.2781 O.2 1 UNL1 -0.5752 4 N -0.5717 -2.4503 -0.0526 N.am 1 UNL1 -0.4888 5 N -1.6975 1.3158 -0.2961 N.ar 1 UNL1 -0.1721 6 N -0.0053 2.4846 0.6580 N.ar 1 UNL1 -0.3972 7 C -0.5078 0.7203 -0.7197 C.ar 1 UNL1 -0.0496 8 C -0.4582 -0.4658 -1.5879 C.3 1 UNL1 -0.3410 9 C -1.3177 -3.5919 0.5038 C.3 1 UNL1 -0.0606 10 C 0.7484 -2.1897 0.5252 C.3 1 UNL1 -0.0629 11 C -1.2027 -1.6360 -0.9541 C.2 1 UNL1 0.5844 12 C 0.5242 1.4726 -0.1224 C.ar 1 UNL1 0.0879 13 C -0.9710 -4.8802 -0.2667 C.3 1 UNL1 -0.2773 14 C 0.6398 -1.4346 1.8652 C.3 1 UNL1 -0.2831 15 C -1.3493 2.4042 0.5611 C.ar 1 UNL1 0.2093 16 C 1.9616 1.2804 -0.2182 C.ar 1 UNL1 -0.0037 17 C -3.0117 1.0016 -0.5670 C.ar 1 UNL1 -0.0070 18 C -2.3840 3.1825 1.1473 C.ar 1 UNL1 -0.1466 19 C -1.7014 -6.0698 0.3487 C.3 1 UNL1 -0.4394 20 C 1.9967 -1.4088 2.5608 C.3 1 UNL1 -0.4379 21 C -3.9768 1.7770 0.0184 C.ar 1 UNL1 -0.0682 22 C -3.6863 2.8703 0.8776 C.ar 1 UNL1 -0.1342 23 C 2.5524 0.9110 -1.4310 C.ar 1 UNL1 -0.1308 24 C 2.7520 1.4723 0.9229 C.ar 1 UNL1 -0.0888 25 C 3.9247 0.6790 -1.4962 C.ar 1 UNL1 -0.1760 26 C 4.1247 1.2478 0.8675 C.ar 1 UNL1 -0.1847 27 C 4.6769 0.8429 -0.3410 C.ar 1 UNL1 0.0341 28 H -0.9378 -0.2550 -2.5779 H 1 UNL1 0.1969 29 H 0.5890 -0.7484 -1.8342 H 1 UNL1 0.1850 30 H -2.4154 -3.3924 0.4328 H 1 UNL1 0.1696 31 H -1.0809 -3.7042 1.5834 H 1 UNL1 0.1350 32 H 1.3777 -1.6091 -0.1854 H 1 UNL1 0.1433 33 H 1.2705 -3.1634 0.6756 H 1 UNL1 0.1455 34 H 0.1206 -5.0508 -0.2627 H 1 UNL1 0.1364 35 H -1.2554 -4.7615 -1.3312 H 1 UNL1 0.1532 36 H -0.1177 -1.9082 2.5168 H 1 UNL1 0.1452 37 H 0.2748 -0.4032 1.6906 H 1 UNL1 0.1526 38 H -3.2181 0.1409 -1.2271 H 1 UNL1 0.2329 39 H -2.0915 4.0089 1.7975 H 1 UNL1 0.1909 40 H -1.4173 -6.2248 1.3954 H 1 UNL1 0.1422 41 H -1.4748 -6.9958 -0.1929 H 1 UNL1 0.1457 42 H -2.7895 -5.9335 0.3156 H 1 UNL1 0.1493 43 H 2.7671 -0.9487 1.9291 H 1 UNL1 0.1483 44 H 1.9509 -0.8286 3.4906 H 1 UNL1 0.1490 45 H 2.3402 -2.4160 2.8211 H 1 UNL1 0.1429 46 H -4.5073 3.4455 1.3105 H 1 UNL1 0.1810 47 H 1.9458 0.8257 -2.3324 H 1 UNL1 0.1639 48 H 2.2815 1.8060 1.8523 H 1 UNL1 0.1814 49 H 4.3893 0.3837 -2.4361 H 1 UNL1 0.1715 50 H 4.7431 1.3929 1.7525 H 1 UNL1 0.1729 @BOND 1 28 8 1 2 49 25 1 3 47 23 1 4 29 8 1 5 8 11 1 6 8 7 1 7 25 23 ar 8 25 27 ar 9 23 16 ar 10 35 13 1 11 3 11 2 12 38 17 1 13 11 4 am 14 7 5 ar 15 7 12 ar 16 17 5 ar 17 17 21 ar 18 2 27 1 19 27 26 ar 20 1 21 1 21 5 15 ar 22 13 34 1 23 13 19 1 24 13 9 1 25 16 12 1 26 16 24 ar 27 41 19 1 28 32 10 1 29 12 6 ar 30 4 9 1 31 4 10 1 32 21 22 ar 33 42 19 1 34 19 40 1 35 30 9 1 36 9 31 1 37 10 33 1 38 10 14 1 39 15 6 ar 40 15 18 ar 41 26 24 ar 42 26 50 1 43 22 18 ar 44 22 46 1 45 24 48 1 46 18 39 1 47 37 14 1 48 14 36 1 49 14 20 1 50 43 20 1 51 20 45 1 52 20 44 1