@MOLECULE nf 67 27 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.2450 2.1582 0.1909 C.ar 1 UNL1 -0.2688 2 C 3.4937 1.4696 0.1556 C.ar 1 UNL1 -0.0778 3 C -2.5778 -1.2606 -0.7375 C.3 1 UNL1 -0.0737 4 C -3.0803 -2.1894 0.3800 C.3 1 UNL1 -0.0081 5 H -4.7286 -0.1157 0.1164 H 1 UNL1 0.3418 6 H -5.0662 1.5750 0.1437 H 1 UNL1 0.3260 7 H -4.9051 -2.5167 1.1135 H 1 UNL1 0.3328 8 C 1.2600 1.1920 0.0978 C.ar 1 UNL1 0.1622 9 C 3.1819 0.1313 0.0445 C.ar 1 UNL1 -0.0587 10 O 5.1899 -0.9022 0.0207 O.2 1 UNL1 -0.4010 11 O -2.6685 2.2943 -0.0837 O.2 1 UNL1 -0.5491 12 O -4.4944 -2.0322 0.3729 O.3 1 UNL1 -0.5944 13 C -3.0716 1.1471 -0.0882 C.2 1 UNL1 0.6878 14 C -0.1840 1.2675 0.0937 C.2 1 UNL1 -0.1120 15 N -0.8243 0.1761 -0.2042 N.2 1 UNL1 -0.1036 16 O 3.4196 -2.1265 -0.1402 O.2 1 UNL1 -0.3805 17 N 3.9765 -1.0474 -0.0310 N.pl3 1 UNL1 0.6480 18 N -4.4051 0.8323 0.0139 N.am 1 UNL1 -0.6778 19 N -2.1604 0.0427 -0.1640 N.am 1 UNL1 -0.3508 20 O 1.8087 -0.0704 0.0048 O.2 1 UNL1 -0.0598 21 H -0.6067 2.2552 0.3401 H 1 UNL1 0.2156 22 H 2.1121 3.2186 0.2716 H 1 UNL1 0.1883 23 H 4.4732 1.9119 0.2060 H 1 UNL1 0.1892 24 H -1.7129 -1.7372 -1.2646 H 1 UNL1 0.1821 25 H -3.3720 -1.1085 -1.5058 H 1 UNL1 0.1667 26 H -2.8506 -3.2481 0.1615 H 1 UNL1 0.1325 27 H -2.6786 -1.9126 1.3716 H 1 UNL1 0.1430 @BOND 1 25 3 1 2 24 3 1 3 3 19 1 4 3 4 1 5 15 19 1 6 15 14 2 7 19 13 am 8 16 17 2 9 13 11 2 10 13 18 am 11 17 10 2 12 17 9 1 13 20 9 ar 14 20 8 ar 15 18 5 1 16 18 6 1 17 9 2 ar 18 14 8 1 19 14 21 1 20 8 1 ar 21 2 1 ar 22 2 23 1 23 26 4 1 24 1 22 1 25 12 4 1 26 12 7 1 27 4 27 1