@MOLECULE citropten 25 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.7587 1.3056 0.0008 O.2 1 UNL1 -0.2785 2 O 0.7791 -2.6586 -0.0021 O.3 1 UNL1 0.0203 3 O 2.9834 1.5161 -0.0010 O.3 1 UNL1 -0.0100 4 O -3.9342 1.3097 0.0021 O.2 1 UNL1 -0.2869 5 C -0.4980 -0.7378 -0.0011 C.ar 1 UNL1 -0.2175 6 C -0.5794 0.6681 -0.0010 C.ar 1 UNL1 0.5037 7 C 0.8007 -1.3096 -0.0018 C.ar 1 UNL1 0.1865 8 C 0.5508 1.4954 -0.0033 C.ar 1 UNL1 -0.7580 9 C 1.7961 0.8755 -0.0028 C.ar 1 UNL1 0.3572 10 C 1.9443 -0.5288 -0.0022 C.ar 1 UNL1 -0.6042 11 C -1.7096 -1.4952 -0.0009 C.ar 1 UNL1 -0.0414 12 C -2.9014 -0.8567 0.0000 C.ar 1 UNL1 -0.5005 13 C -2.9802 0.5848 0.0010 C.ar 1 UNL1 0.4186 14 C 2.0315 -3.3371 0.0055 C.3 1 UNL1 -0.7514 15 C 2.9606 2.9406 0.0043 C.3 1 UNL1 -0.7724 16 H 0.4232 2.5715 -0.0050 H 1 UNL1 0.3093 17 H 2.9425 -0.9488 -0.0006 H 1 UNL1 0.2878 18 H -1.6390 -2.5875 -0.0013 H 1 UNL1 0.2471 19 H -3.8554 -1.3813 0.0002 H 1 UNL1 0.2512 20 H 2.6035 -3.1072 -0.8992 H 1 UNL1 0.2482 21 H 1.7201 -4.3907 0.0102 H 1 UNL1 0.3052 22 H 2.5980 -3.0978 0.9113 H 1 UNL1 0.2765 23 H 4.0308 3.1872 0.0108 H 1 UNL1 0.2888 24 H 2.4720 3.3191 0.9082 H 1 UNL1 0.2743 25 H 2.4816 3.3241 -0.9027 H 1 UNL1 0.2461 @BOND 1 25 15 1 2 20 14 1 3 16 8 1 4 8 9 ar 5 8 6 ar 6 9 10 ar 7 9 3 1 8 10 7 ar 9 10 17 1 10 2 7 1 11 2 14 1 12 7 5 ar 13 18 11 1 14 5 6 ar 15 5 11 ar 16 3 15 1 17 6 1 ar 18 11 12 ar 19 12 19 1 20 12 13 ar 21 1 13 ar 22 13 4 2 23 15 23 1 24 15 24 1 25 14 21 1 26 14 22 1