@MOLECULE triptycene 34 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.0001 0.0005 -1.3141 C.3 1 UNL1 -0.1290 2 C -0.0001 0.0001 1.3105 C.3 1 UNL1 -0.1299 3 C 0.0099 -1.3908 -0.7078 C.ar 1 UNL1 -0.0133 4 C 1.1999 0.7045 -0.7074 C.ar 1 UNL1 -0.0133 5 C -1.2096 0.6878 -0.7070 C.ar 1 UNL1 -0.0131 6 C 0.0096 -1.3903 0.7040 C.ar 1 UNL1 -0.0131 7 C 1.1994 0.7038 0.7044 C.ar 1 UNL1 -0.0131 8 C -1.2095 0.6866 0.7049 C.ar 1 UNL1 -0.0132 9 C 0.0183 -2.5814 -1.4097 C.ar 1 UNL1 -0.1551 10 C 2.2272 1.3068 -1.4090 C.ar 1 UNL1 -0.1551 11 C -2.2444 1.2766 -1.4094 C.ar 1 UNL1 -0.1552 12 C 0.0177 -2.5787 1.4092 C.ar 1 UNL1 -0.1554 13 C 2.2248 1.3043 1.4100 C.ar 1 UNL1 -0.1553 14 C -2.2434 1.2724 1.4096 C.ar 1 UNL1 -0.1553 15 C 0.0265 -3.7859 -0.6938 C.ar 1 UNL1 -0.1452 16 C 3.2663 1.9156 -0.6927 C.ar 1 UNL1 -0.1452 17 C -3.2921 1.8706 -0.6933 C.ar 1 UNL1 -0.1451 18 C 0.0261 -3.7846 0.6963 C.ar 1 UNL1 -0.1450 19 C 3.2652 1.9143 0.6973 C.ar 1 UNL1 -0.1450 20 C -3.2919 1.8682 0.6967 C.ar 1 UNL1 -0.1450 21 H 0.0002 0.0005 -2.4182 H 1 UNL1 0.1609 22 H -0.0002 -0.0002 2.4153 H 1 UNL1 0.1610 23 H 0.0189 -2.5899 -2.4962 H 1 UNL1 0.1550 24 H 2.2346 1.3115 -2.4954 H 1 UNL1 0.1550 25 H -2.2512 1.2819 -2.4958 H 1 UNL1 0.1550 26 H 0.0176 -2.5849 2.4959 H 1 UNL1 0.1551 27 H 2.2294 1.3062 2.4967 H 1 UNL1 0.1551 28 H -2.2485 1.2740 2.4962 H 1 UNL1 0.1551 29 H 0.0332 -4.7290 -1.2361 H 1 UNL1 0.1480 30 H 4.0800 2.3928 -1.2349 H 1 UNL1 0.1480 31 H -4.1120 2.3371 -1.2357 H 1 UNL1 0.1480 32 H 0.0323 -4.7267 1.2405 H 1 UNL1 0.1480 33 H 4.0780 2.3904 1.2419 H 1 UNL1 0.1480 34 H -4.1117 2.3323 1.2411 H 1 UNL1 0.1480 @BOND 1 23 9 1 2 25 11 1 3 24 10 1 4 21 1 1 5 9 3 ar 6 9 15 ar 7 11 5 ar 8 11 17 ar 9 10 4 ar 10 10 16 ar 11 1 3 1 12 1 4 1 13 1 5 1 14 29 15 1 15 31 17 1 16 30 16 1 17 3 6 ar 18 4 7 ar 19 5 8 ar 20 15 18 ar 21 17 20 ar 22 16 19 ar 23 18 32 1 24 18 12 ar 25 20 34 1 26 20 14 ar 27 19 33 1 28 19 13 ar 29 6 2 1 30 6 12 ar 31 7 2 1 32 7 13 ar 33 8 2 1 34 8 14 ar 35 2 22 1 36 12 26 1 37 14 28 1 38 13 27 1