@MOLECULE 1-nitroso-4-azepanol 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7135 1.1176 -0.4686 O.3 1 UNL1111111111 -0.5657 2 O 2.4359 1.3176 -0.5423 O.2 1 UNL1111111111 -0.3064 3 N 1.2937 -0.3273 0.2586 N.pl3 1 UNL1111111111 -0.3445 4 N 2.1766 0.1480 -0.6088 N.2 1 UNL1111111111 0.1957 5 C -1.7928 0.2903 0.2281 C.3 1 UNL1111111111 0.1676 6 C -1.4156 -0.9073 -0.6610 C.3 1 UNL1111111111 -0.3299 7 C -0.6213 1.2354 0.5175 C.3 1 UNL1111111111 -0.3288 8 C -0.6281 -1.9565 0.1257 C.3 1 UNL1111111111 -0.2906 9 C 0.5485 0.5207 1.2045 C.3 1 UNL1111111111 -0.1045 10 C 0.8951 -1.7340 0.0803 C.3 1 UNL1111111111 -0.0659 11 H -2.2843 -0.0466 1.1682 H 1 UNL1111111111 0.1089 12 H -0.8376 -0.5541 -1.5382 H 1 UNL1111111111 0.1692 13 H -2.3342 -1.3571 -1.0823 H 1 UNL1111111111 0.1407 14 H -0.9771 2.0788 1.1427 H 1 UNL1111111111 0.1634 15 H -0.2854 1.7115 -0.4292 H 1 UNL1111111111 0.1808 16 H -0.9764 -1.9886 1.1763 H 1 UNL1111111111 0.1438 17 H -0.8417 -2.9664 -0.2803 H 1 UNL1111111111 0.1472 18 H 1.2541 1.2798 1.6240 H 1 UNL1111111111 0.1620 19 H 0.1995 -0.0968 2.0580 H 1 UNL1111111111 0.1427 20 H 1.3881 -2.3349 0.8810 H 1 UNL1111111111 0.1408 21 H 1.3021 -2.1055 -0.8915 H 1 UNL1111111111 0.1598 22 H -3.5076 0.6195 -0.7325 H 1 UNL1111111111 0.3136 @BOND 1 1 5 1 2 1 22 1 3 2 4 2 4 3 4 1 5 3 9 1 6 3 10 1 7 5 6 1 8 5 7 1 9 5 11 1 10 6 8 1 11 6 12 1 12 6 13 1 13 7 9 1 14 7 14 1 15 7 15 1 16 8 10 1 17 8 16 1 18 8 17 1 19 9 18 1 20 9 19 1 21 10 20 1 22 10 21 1