@MOLECULE benzyl nicotinate 27 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.0875 -0.6116 -0.0001 O.3 1 UNL1 -0.4125 2 O 1.2369 -2.4265 0.0002 O.2 1 UNL1 -0.4984 3 N 2.9425 2.0528 0.0001 N.ar 1 UNL1 -0.3850 4 C -2.3924 -0.5333 0.0001 C.ar 1 UNL1 -0.0385 5 C -1.2334 -1.4815 0.0001 C.3 1 UNL1 -0.0231 6 C -2.9239 -0.0837 1.2095 C.ar 1 UNL1 -0.1331 7 C -2.9237 -0.0838 -1.2095 C.ar 1 UNL1 -0.1331 8 C 2.2050 -0.2348 -0.0001 C.ar 1 UNL1 -0.2430 9 C -3.9990 0.8025 1.2077 C.ar 1 UNL1 -0.1549 10 C -3.9989 0.8024 -1.2077 C.ar 1 UNL1 -0.1549 11 C 1.1212 -1.2259 -0.0000 C.2 1 UNL1 0.6066 12 C -4.5381 1.2433 -0.0001 C.ar 1 UNL1 -0.1384 13 C 3.5291 -0.6821 -0.0002 C.ar 1 UNL1 -0.0133 14 C 1.9494 1.1466 0.0000 C.ar 1 UNL1 0.1241 15 C 4.5557 0.2571 -0.0000 C.ar 1 UNL1 -0.2687 16 C 4.2176 1.6176 0.0001 C.ar 1 UNL1 0.0950 17 H -1.1879 -2.1246 -0.8989 H 1 UNL1 0.1471 18 H -1.1877 -2.1247 0.8989 H 1 UNL1 0.1471 19 H -2.4967 -0.4195 2.1532 H 1 UNL1 0.1555 20 H -2.4964 -0.4197 -2.1531 H 1 UNL1 0.1555 21 H -4.4163 1.1529 2.1495 H 1 UNL1 0.1503 22 H -4.4160 1.1528 -2.1495 H 1 UNL1 0.1503 23 H -5.3786 1.9347 -0.0001 H 1 UNL1 0.1493 24 H 3.7440 -1.7555 -0.0003 H 1 UNL1 0.1786 25 H 0.9247 1.5492 0.0001 H 1 UNL1 0.1938 26 H 5.5968 -0.0529 -0.0001 H 1 UNL1 0.1723 27 H 4.9847 2.4023 0.0002 H 1 UNL1 0.1715 @BOND 1 20 7 1 2 22 10 1 3 7 10 ar 4 7 4 ar 5 10 12 ar 6 17 5 1 7 24 13 1 8 13 8 ar 9 13 15 ar 10 8 11 1 11 8 14 ar 12 1 11 1 13 1 5 1 14 23 12 1 15 26 15 1 16 12 9 ar 17 11 2 2 18 14 25 1 19 14 3 ar 20 15 16 ar 21 16 3 ar 22 16 27 1 23 4 5 1 24 4 6 ar 25 5 18 1 26 9 6 ar 27 9 21 1 28 6 19 1