@MOLECULE azaindolate 12 12 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.0512 -0.9540 -0.4733 O.co2 1 UNL1 -0.0786 2 OXT 3.0814 1.0804 0.4351 O.co2 1 UNL1 -0.4147 3 N 0.3719 -1.1958 0.0875 N.pl3 1 UNL1 -0.1274 4 C -0.7718 -1.5818 0.1428 C.3 1 UNL1 0.2697 5 C -0.9436 1.6875 -0.1578 C.2 1 UNL1 -0.1439 6 C 0.1421 1.0835 -0.0923 C.1 1 UNL1 0.0840 7 CA 0.9988 0.0019 0.0077 C.2 1 UNL1 -0.1210 8 C -2.0989 -1.5747 0.1404 C.2 1 UNL1 -0.2178 9 C -2.2749 1.5544 -0.1396 C.2 1 UNL1 0.1612 10 C -2.9953 -0.6940 0.0670 C.2 1 UNL1 0.2276 11 C -3.1278 0.6291 -0.0523 C.2 1 UNL1 -0.1586 12 C 2.4688 0.1203 0.0329 C.2 1 UNL1 0.5193 @BOND 1 1 12 ar 2 5 9 1 3 5 6 2 4 9 11 2 5 6 7 2 6 11 10 1 7 7 12 1 8 7 3 1 9 12 2 ar 10 10 8 2 11 3 4 1 12 8 4 1