@MOLECULE 3-(2h-tetrazol-5-ylamino)-2-cyclohexen-1-one 22 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0749 1.1037 0.2530 O.2 1 UNL1111111111 -0.4653 2 C -3.0668 0.4437 0.1661 C.2 1 UNL1111111111 0.5132 3 C -1.7440 1.0690 0.0471 C.2 1 UNL1111111111 -0.4465 4 C -0.6245 0.3287 -0.1026 C.2 1 UNL1111111111 0.3157 5 C -0.6259 -1.1625 -0.1660 C.3 1 UNL1111111111 -0.3163 6 C -1.9966 -1.6850 -0.6143 C.3 1 UNL1111111111 -0.2346 7 C -3.1207 -1.0668 0.2132 C.3 1 UNL1111111111 -0.3821 8 N 0.6071 1.0129 -0.2472 N.pl3 1 UNL1111111111 -0.4907 9 C 1.8273 0.4161 -0.0317 C.ar 1 UNL1111111111 0.3471 10 N 2.1477 -0.8380 0.4182 N.ar 1 UNL1111111111 -0.3159 11 N 3.4913 -0.9328 0.4055 N.ar 1 UNL1111111111 0.0099 12 N 4.0497 0.1556 -0.0035 N.ar 1 UNL1111111111 -0.0613 13 N 3.0563 1.0533 -0.3059 N.ar 1 UNL1111111111 -0.3574 14 H -1.7505 2.1548 0.0935 H 1 UNL1111111111 0.1859 15 H 0.1601 -1.5534 -0.8513 H 1 UNL1111111111 0.1832 16 H -0.3497 -1.5835 0.8310 H 1 UNL1111111111 0.1933 17 H -2.1510 -1.4611 -1.6895 H 1 UNL1111111111 0.1484 18 H -2.0201 -2.7893 -0.5308 H 1 UNL1111111111 0.1496 19 H -3.0588 -1.3910 1.2730 H 1 UNL1111111111 0.1733 20 H -4.1110 -1.4190 -0.1410 H 1 UNL1111111111 0.1725 21 H 0.5763 2.0324 -0.2409 H 1 UNL1111111111 0.3279 22 H 3.2710 1.9679 -0.6514 H 1 UNL1111111111 0.3501 @BOND 1 1 2 2 2 2 3 1 3 2 7 1 4 3 4 2 5 3 14 1 6 4 5 1 7 4 8 1 8 5 6 1 9 5 15 1 10 5 16 1 11 6 7 1 12 6 17 1 13 6 18 1 14 7 19 1 15 7 20 1 16 8 9 1 17 8 21 1 18 9 10 ar 19 9 13 ar 20 10 11 ar 21 11 12 ar 22 12 13 ar 23 13 22 1