@MOLECULE mia 20 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.5966 1.2042 0.0034 O.2 1 UNL1 -0.4367 2 O 3.1224 -0.3919 -0.0526 O.2 1 UNL1 -0.4283 3 O 0.1812 2.8633 0.0242 O.2 1 UNL1 -0.3765 4 N 0.9278 -1.0612 0.0279 N.ar 1 UNL1 -0.4724 5 C -0.4171 -0.7104 0.0107 C.ar 1 UNL1 0.3023 6 C -0.7564 0.6569 0.0029 C.ar 1 UNL1 -0.3141 7 C -1.4452 -1.6758 0.0017 C.ar 1 UNL1 -0.2895 8 C -2.1008 1.0502 -0.0139 C.ar 1 UNL1 0.0084 9 C 0.2805 1.6713 0.0123 C.ar 1 UNL1 0.6193 10 C 1.3283 -2.4745 0.0308 C.3 1 UNL1 -0.2250 11 C 1.9558 -0.1022 -0.0125 C.ar 1 UNL1 0.7239 12 C -2.7684 -1.2647 -0.0125 C.ar 1 UNL1 -0.0202 13 C -3.1044 0.0954 -0.0217 C.ar 1 UNL1 -0.2455 14 H -1.2101 -2.7362 0.0053 H 1 UNL1 0.1698 15 H -2.3437 2.1184 -0.0202 H 1 UNL1 0.1747 16 H 0.9876 -2.9812 -0.8896 H 1 UNL1 0.1523 17 H 0.9163 -2.9941 0.9162 H 1 UNL1 0.1532 18 H 2.4337 -2.5697 0.0753 H 1 UNL1 0.1871 19 H -3.5650 -2.0122 -0.0177 H 1 UNL1 0.1517 20 H -4.1497 0.3943 -0.0354 H 1 UNL1 0.1656 @BOND 1 16 10 1 2 2 11 2 3 20 13 1 4 13 8 ar 5 13 12 ar 6 15 8 1 7 19 12 1 8 8 6 ar 9 11 1 ar 10 11 4 ar 11 12 7 ar 12 7 14 1 13 7 5 ar 14 6 5 ar 15 6 9 ar 16 1 9 ar 17 5 4 ar 18 9 3 2 19 4 10 1 20 10 18 1 21 10 17 1