@MOLECULE aminokinuride 48 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.0088 1.6169 -0.0319 O.2 1 UNL1 -0.5063 2 N 1.1542 -0.3882 -0.0188 N.am 1 UNL1 -0.5922 3 N -1.1542 -0.3988 -0.0229 N.am 1 UNL1 -0.5920 4 N 6.4929 1.2608 0.0089 N.ar 1 UNL1 -0.4649 5 N -6.4853 1.2600 0.0108 N.ar 1 UNL1 -0.4660 6 N 5.6763 -2.8582 0.0165 N.pl3 1 UNL1 -0.6215 7 N -5.6864 -2.8592 0.0052 N.pl3 1 UNL1 -0.6216 8 C 4.8392 -0.5527 0.0056 C.ar 1 UNL1 -0.1490 9 C -4.8398 -0.5595 0.0098 C.ar 1 UNL1 -0.1505 10 C 5.1914 0.8193 0.0122 C.ar 1 UNL1 0.1864 11 C -5.1869 0.8129 0.0158 C.ar 1 UNL1 0.1869 12 C 2.4905 0.0708 -0.0038 C.ar 1 UNL1 0.2177 13 C -2.4913 0.0567 -0.0011 C.ar 1 UNL1 0.2175 14 C 3.4734 -0.9078 -0.0044 C.ar 1 UNL1 -0.2469 15 C -3.4743 -0.9214 -0.0007 C.ar 1 UNL1 -0.2468 16 C 5.9237 -1.5044 0.0050 C.ar 1 UNL1 0.3143 17 C -5.9282 -1.5051 0.0070 C.ar 1 UNL1 0.3149 18 C 4.1601 1.8082 0.0187 C.ar 1 UNL1 -0.1232 19 C -4.1532 1.8004 0.0228 C.ar 1 UNL1 -0.1228 20 C 2.8404 1.4489 0.0103 C.ar 1 UNL1 -0.1692 21 C -2.8355 1.4363 0.0151 C.ar 1 UNL1 -0.1698 22 C 7.4698 0.3604 0.0014 C.ar 1 UNL1 0.3036 23 C -7.4675 0.3656 0.0001 C.ar 1 UNL1 0.3036 24 C 7.2329 -1.0384 0.0002 C.ar 1 UNL1 -0.4449 25 C -7.2364 -1.0335 0.0010 C.ar 1 UNL1 -0.4450 26 C -0.0036 0.4086 -0.0249 C.2 1 UNL1 0.7415 27 C 8.8773 0.8640 -0.0151 C.3 1 UNL1 -0.4559 28 C -8.8687 0.8860 -0.0200 C.3 1 UNL1 -0.4559 29 H 3.1961 -1.9580 -0.0154 H 1 UNL1 0.1450 30 H -3.2038 -1.9717 -0.0158 H 1 UNL1 0.1452 31 H 4.4653 2.8588 0.0283 H 1 UNL1 0.1824 32 H -4.4567 2.8505 0.0329 H 1 UNL1 0.1823 33 H 2.0522 2.2101 0.0112 H 1 UNL1 0.2028 34 H -2.0456 2.1946 0.0184 H 1 UNL1 0.2037 35 H 8.0727 -1.7182 -0.0060 H 1 UNL1 0.1731 36 H -8.0800 -1.7094 -0.0073 H 1 UNL1 0.1732 37 H 1.0521 -1.3987 -0.0279 H 1 UNL1 0.3060 38 H -1.0465 -1.4082 -0.0281 H 1 UNL1 0.3064 39 H 8.9171 1.9660 -0.0330 H 1 UNL1 0.1793 40 H 9.4310 0.5313 0.8740 H 1 UNL1 0.1636 41 H 9.4142 0.4999 -0.9029 H 1 UNL1 0.1631 42 H -9.4092 0.5322 -0.9095 H 1 UNL1 0.1631 43 H -9.4272 0.5618 0.8691 H 1 UNL1 0.1635 44 H -8.8925 1.9890 -0.0385 H 1 UNL1 0.1796 45 H 4.7526 -3.2204 -0.0134 H 1 UNL1 0.3035 46 H 6.4283 -3.5097 -0.0108 H 1 UNL1 0.3091 47 H -6.4401 -3.5098 0.0116 H 1 UNL1 0.3095 48 H -4.7634 -3.2242 0.0151 H 1 UNL1 0.3036 @BOND 1 42 28 1 2 41 27 1 3 44 28 1 4 39 27 1 5 1 26 2 6 38 3 1 7 37 2 1 8 26 3 am 9 26 2 am 10 3 13 1 11 28 23 1 12 28 43 1 13 2 12 1 14 30 15 1 15 29 14 1 16 27 22 1 17 27 40 1 18 45 6 1 19 46 6 1 20 36 25 1 21 35 24 1 22 14 12 ar 23 14 8 ar 24 12 20 ar 25 13 15 ar 26 13 21 ar 27 15 9 ar 28 23 25 ar 29 23 5 ar 30 24 22 ar 31 24 16 ar 32 25 17 ar 33 22 4 ar 34 16 8 ar 35 16 6 1 36 7 17 1 37 7 47 1 38 7 48 1 39 8 10 ar 40 17 9 ar 41 4 10 ar 42 9 11 ar 43 20 33 1 44 20 18 ar 45 5 11 ar 46 10 18 ar 47 21 34 1 48 21 19 ar 49 11 19 ar 50 18 31 1 51 19 32 1