@MOLECULE tcmdc-123507 37 41 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.3125 0.7157 0.0440 N.ar 1 UNL1111111111 -0.3758 2 N 2.3124 0.7163 -0.0371 N.ar 1 UNL1111111111 -0.3760 3 N -3.6336 -1.1376 -0.0162 N.ar 1 UNL1111111111 -0.3881 4 N 3.6330 -1.1374 0.0143 N.ar 1 UNL1111111111 -0.3882 5 N -0.0001 -0.8257 0.0026 N.ar 1 UNL1111111111 -0.4201 6 C -2.3688 -0.6920 0.0142 C.ar 1 UNL1111111111 0.2321 7 C 2.3684 -0.6915 -0.0107 C.ar 1 UNL1111111111 0.2322 8 C -3.6257 1.1721 0.0188 C.ar 1 UNL1111111111 0.0615 9 C 3.6259 1.1724 -0.0174 C.ar 1 UNL1111111111 0.0616 10 C -1.1608 -1.5164 0.0078 C.ar 1 UNL1111111111 0.1746 11 C 1.1600 -1.5162 -0.0046 C.ar 1 UNL1111111111 0.1749 12 C -4.4486 -0.0070 -0.0097 C.ar 1 UNL1111111111 0.0616 13 C 4.4484 -0.0070 0.0082 C.ar 1 UNL1111111111 0.0616 14 C -1.2056 -2.9192 0.0035 C.ar 1 UNL1111111111 -0.1705 15 C 1.2053 -2.9192 -0.0050 C.ar 1 UNL1111111111 -0.1705 16 C -4.1833 2.4561 0.0172 C.ar 1 UNL1111111111 -0.1920 17 C 4.1843 2.4562 -0.0171 C.ar 1 UNL1111111111 -0.1920 18 C -5.8451 0.1110 -0.0217 C.ar 1 UNL1111111111 -0.1031 19 C 5.8450 0.1102 0.0167 C.ar 1 UNL1111111111 -0.1031 20 C -0.0001 -3.6182 -0.0017 C.ar 1 UNL1111111111 -0.0862 21 C -5.5624 2.5376 -0.0003 C.ar 1 UNL1111111111 -0.1177 22 C 5.5635 2.5371 -0.0021 C.ar 1 UNL1111111111 -0.1177 23 C -6.3799 1.3834 -0.0131 C.ar 1 UNL1111111111 -0.1819 24 C 6.3804 1.3824 0.0088 C.ar 1 UNL1111111111 -0.1819 25 H -1.4812 1.2612 0.0972 H 1 UNL1111111111 0.3335 26 H 1.4809 1.2622 -0.0843 H 1 UNL1111111111 0.3334 27 H -2.1701 -3.4295 0.0037 H 1 UNL1111111111 0.1951 28 H 2.1699 -3.4305 -0.0068 H 1 UNL1111111111 0.1951 29 H -3.5585 3.3424 0.0278 H 1 UNL1111111111 0.1615 30 H 3.5597 3.3426 -0.0272 H 1 UNL1111111111 0.1615 31 H -6.4663 -0.7832 -0.0335 H 1 UNL1111111111 0.1703 32 H 6.4660 -0.7843 0.0276 H 1 UNL1111111111 0.1703 33 H -0.0002 -4.7096 -0.0023 H 1 UNL1111111111 0.1660 34 H -6.0454 3.5144 -0.0044 H 1 UNL1111111111 0.1532 35 H 6.0470 3.5138 0.0010 H 1 UNL1111111111 0.1532 36 H -7.4609 1.5147 -0.0180 H 1 UNL1111111111 0.1558 37 H 7.4614 1.5133 0.0120 H 1 UNL1111111111 0.1558 @BOND 1 1 6 ar 2 1 8 ar 3 1 25 1 4 2 7 ar 5 2 9 ar 6 2 26 1 7 3 6 ar 8 3 12 ar 9 4 7 ar 10 4 13 ar 11 5 10 ar 12 5 11 ar 13 6 10 1 14 7 11 1 15 8 12 ar 16 8 16 ar 17 9 13 ar 18 9 17 ar 19 10 14 ar 20 11 15 ar 21 12 18 ar 22 13 19 ar 23 14 20 ar 24 14 27 1 25 15 20 ar 26 15 28 1 27 16 21 ar 28 16 29 1 29 17 22 ar 30 17 30 1 31 18 23 ar 32 18 31 1 33 19 24 ar 34 19 32 1 35 20 33 1 36 21 23 ar 37 21 34 1 38 22 24 ar 39 22 35 1 40 23 36 1 41 24 37 1