@MOLECULE 1,4-dinitroso-1,4-diazepane 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7266 1.4076 0.4880 O.2 1 UNL1111111111 -0.2979 2 O 3.1601 0.9853 -0.3680 O.2 1 UNL1111111111 -0.2960 3 N -1.5458 -0.1529 -0.4171 N.pl3 1 UNL1111111111 -0.3514 4 N 1.3878 0.0577 0.4464 N.pl3 1 UNL1111111111 -0.3544 5 N -2.5776 0.2295 0.3245 N.2 1 UNL1111111111 0.1999 6 N 2.6803 0.0182 0.1509 N.2 1 UNL1111111111 0.2041 7 C 0.1520 -1.9998 -0.2041 C.3 1 UNL1111111111 -0.3303 8 C -1.3025 -1.6025 -0.5094 C.3 1 UNL1111111111 -0.0650 9 C 0.7849 -1.1913 0.9430 C.3 1 UNL1111111111 -0.0509 10 C -0.5459 0.7775 -0.9602 C.3 1 UNL1111111111 -0.1324 11 C 0.4883 1.1723 0.1177 C.3 1 UNL1111111111 -0.1435 12 H 0.1807 -3.0790 0.0470 H 1 UNL1111111111 0.1568 13 H 0.7766 -1.8997 -1.1151 H 1 UNL1111111111 0.1648 14 H -1.5772 -1.9355 -1.5389 H 1 UNL1111111111 0.1469 15 H -1.9978 -2.1306 0.1878 H 1 UNL1111111111 0.1609 16 H 0.0274 -0.9404 1.7203 H 1 UNL1111111111 0.1565 17 H 1.5750 -1.7987 1.4464 H 1 UNL1111111111 0.1598 18 H -1.0676 1.6962 -1.3245 H 1 UNL1111111111 0.1703 19 H -0.0464 0.3209 -1.8409 H 1 UNL1111111111 0.1590 20 H 1.0888 2.0433 -0.2403 H 1 UNL1111111111 0.1763 21 H -0.0300 1.5087 1.0459 H 1 UNL1111111111 0.1665 @BOND 1 1 5 2 2 2 6 2 3 3 5 1 4 3 8 1 5 3 10 1 6 4 6 1 7 4 9 1 8 4 11 1 9 7 8 1 10 7 9 1 11 7 12 1 12 7 13 1 13 8 14 1 14 8 15 1 15 9 16 1 16 9 17 1 17 10 11 1 18 10 18 1 19 10 19 1 20 11 20 1 21 11 21 1