@MOLECULE nicotinyl alcohol 15 15 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.6548 0.4884 0.0245 O.3 1 UNL1 -0.5421 2 C -1.8875 -0.7061 -0.0193 C.3 1 UNL1 -0.0004 3 C -0.4491 -0.2945 -0.0108 C.ar 1 UNL1 -0.1124 4 C 0.5553 -1.2755 0.0014 C.ar 1 UNL1 0.0185 5 N 1.8641 -0.9694 0.0102 N.ar 1 UNL1 -0.3626 6 C 2.2216 0.3286 0.0077 C.ar 1 UNL1 0.0413 7 C 1.2854 1.3701 -0.0046 C.ar 1 UNL1 -0.2390 8 C -0.0701 1.0479 -0.0142 C.ar 1 UNL1 -0.0655 9 H -3.6084 0.2749 0.0319 H 1 UNL1 0.3162 10 H -2.1386 -1.3225 0.8675 H 1 UNL1 0.1298 11 H -2.1448 -1.2588 -0.9456 H 1 UNL1 0.1303 12 H 0.3186 -2.3448 0.0040 H 1 UNL1 0.1687 13 H 3.2999 0.5224 0.0160 H 1 UNL1 0.1702 14 H 1.6109 2.4061 -0.0065 H 1 UNL1 0.1664 15 H -0.8295 1.8344 -0.0235 H 1 UNL1 0.1806 @BOND 1 11 2 1 2 15 8 1 3 2 3 1 4 2 1 1 5 2 10 1 6 8 3 ar 7 8 7 ar 8 3 4 ar 9 14 7 1 10 7 6 ar 11 4 12 1 12 4 5 ar 13 6 5 ar 14 6 13 1 15 1 9 1