@MOLECULE cp-93,129 29 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.8076 -2.7032 -0.2954 O.2 1 UNL1 -0.5179 2 N -4.2467 -0.6811 0.0736 N.3 1 UNL1 -0.5420 3 N 1.4008 2.4704 0.2157 N.ar 1 UNL1 -0.2996 4 N 1.2702 -1.0874 -0.0883 N.ar 1 UNL1 -0.4845 5 C -1.5896 0.3287 0.1485 C.2 1 UNL1 0.0417 6 C -2.6259 0.9845 -0.7118 C.3 1 UNL1 -0.2811 7 C -0.2755 0.9302 0.1513 C.ar 1 UNL1 -0.2000 8 C -3.6805 -0.0540 -1.1405 C.3 1 UNL1 -0.0959 9 C 0.9741 0.2448 0.0452 C.ar 1 UNL1 0.1714 10 C -1.8806 -0.7628 0.8717 C.2 1 UNL1 -0.2166 11 C -3.2278 -1.4168 0.8634 C.3 1 UNL1 -0.0985 12 C 2.0095 1.2186 0.0861 C.ar 1 UNL1 -0.1026 13 C 0.0325 2.2946 0.2528 C.ar 1 UNL1 -0.0024 14 C 3.3727 0.8433 -0.0021 C.ar 1 UNL1 -0.0349 15 C 2.6215 -1.5087 -0.1806 C.ar 1 UNL1 0.5834 16 C 3.6553 -0.4785 -0.1297 C.ar 1 UNL1 -0.3132 17 H -3.1197 1.7953 -0.1334 H 1 UNL1 0.1641 18 H -2.1744 1.4582 -1.6026 H 1 UNL1 0.1457 19 H -4.5100 0.4480 -1.6826 H 1 UNL1 0.1329 20 H -3.2226 -0.7889 -1.8361 H 1 UNL1 0.1160 21 H -1.1541 -1.2327 1.5298 H 1 UNL1 0.1518 22 H -3.1169 -2.4736 0.5237 H 1 UNL1 0.1195 23 H -3.6240 -1.4518 1.9107 H 1 UNL1 0.1541 24 H -5.0188 -1.2998 -0.1684 H 1 UNL1 0.2511 25 H -0.6472 3.1217 0.3561 H 1 UNL1 0.1720 26 H 1.8877 3.3334 0.2764 H 1 UNL1 0.3125 27 H 0.5239 -1.7725 -0.1366 H 1 UNL1 0.3287 28 H 4.1511 1.6038 0.0319 H 1 UNL1 0.1563 29 H 4.6744 -0.8541 -0.2057 H 1 UNL1 0.1879 @BOND 1 20 8 1 2 19 8 1 3 18 6 1 4 8 6 1 5 8 2 1 6 6 17 1 7 6 5 1 8 1 15 2 9 29 16 1 10 15 16 ar 11 15 4 ar 12 24 2 1 13 27 4 1 14 16 14 ar 15 4 9 ar 16 14 28 1 17 14 12 ar 18 9 12 ar 19 9 7 ar 20 2 11 1 21 12 3 ar 22 5 7 1 23 5 10 2 24 7 13 ar 25 3 13 ar 26 3 26 1 27 13 25 1 28 22 11 1 29 11 10 1 30 11 23 1 31 10 21 1