@MOLECULE pirfenidone 25 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.1342 2.3092 -0.3806 O.2 1 UNL1 -0.5126 2 N 0.3651 0.0853 0.0004 N.ar 1 UNL1 -0.3840 3 C -1.0549 -0.1154 0.0191 C.ar 1 UNL1 0.1687 4 C 1.2086 -1.0015 0.1517 C.ar 1 UNL1 0.0508 5 C 2.5715 -0.8620 0.1371 C.ar 1 UNL1 -0.1330 6 C 0.9087 1.3946 -0.1961 C.ar 1 UNL1 0.5758 7 C 3.1516 0.4370 0.0026 C.ar 1 UNL1 -0.0275 8 C 2.3523 1.5191 -0.1584 C.ar 1 UNL1 -0.3232 9 C -1.5922 -1.3069 -0.4946 C.ar 1 UNL1 -0.2172 10 C -1.9025 0.8622 0.5559 C.ar 1 UNL1 -0.1587 11 C 3.4632 -2.0472 0.2578 C.3 1 UNL1 -0.4248 12 C -2.9683 -1.5097 -0.4638 C.ar 1 UNL1 -0.1162 13 C -3.2786 0.6549 0.5513 C.ar 1 UNL1 -0.1185 14 C -3.8152 -0.5286 0.0483 C.ar 1 UNL1 -0.1662 15 H 0.7389 -1.9814 0.2962 H 1 UNL1 0.1689 16 H 4.2379 0.5287 0.0344 H 1 UNL1 0.1568 17 H 2.7330 2.5337 -0.2676 H 1 UNL1 0.1889 18 H -0.9527 -2.0722 -0.9281 H 1 UNL1 0.1579 19 H -1.5004 1.7916 0.9683 H 1 UNL1 0.1901 20 H 2.9150 -2.9936 0.3621 H 1 UNL1 0.1507 21 H 4.1210 -1.9646 1.1346 H 1 UNL1 0.1565 22 H 4.1086 -2.1510 -0.6286 H 1 UNL1 0.1576 23 H -3.3849 -2.4404 -0.8469 H 1 UNL1 0.1504 24 H -3.9387 1.4272 0.9566 H 1 UNL1 0.1565 25 H -4.8913 -0.6877 0.0570 H 1 UNL1 0.1522 @BOND 1 18 9 1 2 23 12 1 3 22 11 1 4 9 12 ar 5 9 3 ar 6 12 14 ar 7 1 6 2 8 17 8 1 9 6 8 ar 10 6 2 ar 11 8 7 ar 12 2 3 1 13 2 4 ar 14 7 16 1 15 7 5 ar 16 3 10 ar 17 14 25 1 18 14 13 ar 19 5 4 ar 20 5 11 1 21 4 15 1 22 11 20 1 23 11 21 1 24 13 10 ar 25 13 24 1 26 10 19 1