@MOLECULE 1,4-diazepan-2-one 18 18 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3867 0.1661 0.3878 O.2 1 UNL111111111 -0.5369 2 N 0.6694 1.4786 0.2777 N.3 1 UNL111111111 -0.5268 3 N -0.7238 -1.2579 -0.0601 N.am 1 UNL111111111 -0.6012 4 C 1.6685 -0.7711 0.4725 C.3 1 UNL111111111 -0.3133 5 C 1.8773 0.6767 -0.0066 C.3 1 UNL111111111 -0.1023 6 C 0.6689 -1.5304 -0.4172 C.3 1 UNL111111111 -0.0550 7 C -0.4580 1.1811 -0.6214 C.3 1 UNL111111111 -0.1882 8 C -1.2572 0.0184 -0.0328 C.2 1 UNL111111111 0.5971 9 H 1.3047 -0.7581 1.5217 H 1 UNL111111111 0.1738 10 H 2.6383 -1.2988 0.4889 H 1 UNL111111111 0.1407 11 H 2.7236 1.1288 0.5600 H 1 UNL111111111 0.1378 12 H 2.1672 0.6895 -1.0791 H 1 UNL111111111 0.1127 13 H 0.8282 -1.2684 -1.4891 H 1 UNL111111111 0.1372 14 H 0.8446 -2.6272 -0.3348 H 1 UNL111111111 0.1364 15 H -0.1623 0.9494 -1.6664 H 1 UNL111111111 0.1382 16 H -1.1391 2.0660 -0.6641 H 1 UNL111111111 0.1709 17 H 0.8796 2.4744 0.2771 H 1 UNL111111111 0.2642 18 H -1.2288 -1.9903 0.4212 H 1 UNL111111111 0.3147 @BOND 1 1 8 2 2 2 5 1 3 2 7 1 4 2 17 1 5 3 6 1 6 3 8 am 7 3 18 1 8 4 5 1 9 4 6 1 10 4 9 1 11 4 10 1 12 5 11 1 13 5 12 1 14 6 13 1 15 6 14 1 16 7 8 1 17 7 15 1 18 7 16 1