@MOLECULE n-propylbenzene 21 21 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.6255 0.8499 -0.9065 C.3 1 UNL1111111 -0.4403 2 C 2.4632 -0.5095 -0.2280 C.3 1 UNL1111111 -0.2360 3 C 1.4949 -0.4370 0.9661 C.3 1 UNL1111111 -0.2941 4 C 0.0899 -0.2079 0.4982 C.ar 1 UNL1111111 0.0324 5 C -0.4771 1.0666 0.5648 C.ar 1 UNL1111111 -0.1862 6 C -1.7789 1.2773 0.1150 C.ar 1 UNL1111111 -0.1342 7 C -2.5194 0.2162 -0.4022 C.ar 1 UNL1111111 -0.1700 8 C -1.9562 -1.0573 -0.4678 C.ar 1 UNL1111111 -0.1333 9 C -0.6559 -1.2709 -0.0183 C.ar 1 UNL1111111 -0.1861 10 H 1.6597 1.2328 -1.2610 H 1 UNL1111111 0.1510 11 H 3.2916 0.7853 -1.7733 H 1 UNL1111111 0.1411 12 H 3.0420 1.5956 -0.2210 H 1 UNL1111111 0.1418 13 H 2.0980 -1.2550 -0.9606 H 1 UNL1111111 0.1384 14 H 3.4478 -0.8778 0.1177 H 1 UNL1111111 0.1334 15 H 1.5554 -1.3763 1.5529 H 1 UNL1111111 0.1469 16 H 1.8193 0.3617 1.6624 H 1 UNL1111111 0.1491 17 H 0.0989 1.8972 0.9659 H 1 UNL1111111 0.1513 18 H -2.2167 2.2720 0.1678 H 1 UNL1111111 0.1475 19 H -3.5352 0.3805 -0.7533 H 1 UNL1111111 0.1491 20 H -2.5339 -1.8867 -0.8708 H 1 UNL1111111 0.1473 21 H -0.2183 -2.2648 -0.0713 H 1 UNL1111111 0.1510 @BOND 1 11 1 1 2 10 1 1 3 13 2 1 4 1 2 1 5 1 12 1 6 20 8 1 7 19 7 1 8 8 7 ar 9 8 9 ar 10 7 6 ar 11 2 14 1 12 2 3 1 13 21 9 1 14 9 4 ar 15 6 18 1 16 6 5 ar 17 4 5 ar 18 4 3 1 19 5 17 1 20 3 15 1 21 3 16 1