@MOLECULE (1s,2s)-(+)-1,2-diaminocyclohexane 22 22 0 0 0 SMALL USER_CHARGES @ATOM 1 N -1.7000 -1.1073 0.7968 N.3 1 UNL11111111 -0.6556 2 N 1.6436 -1.1790 -0.8017 N.3 1 UNL11111111 -0.6557 3 C -0.7377 -0.8704 -0.2988 C.3 1 UNL11111111 0.0456 4 C 0.6987 -0.9046 0.3007 C.3 1 UNL11111111 0.0458 5 C -1.0064 0.4368 -1.0781 C.3 1 UNL11111111 -0.3309 6 C 1.0255 0.3886 1.0809 C.3 1 UNL11111111 -0.3309 7 C -0.6859 1.6818 -0.2469 C.3 1 UNL11111111 -0.2628 8 C 0.7649 1.6468 0.2481 C.3 1 UNL11111111 -0.2626 9 H -0.8286 -1.7395 -1.0075 H 1 UNL11111111 0.1573 10 H 0.7534 -1.7800 1.0065 H 1 UNL11111111 0.1572 11 H -2.0592 0.4623 -1.4128 H 1 UNL11111111 0.1363 12 H -0.4036 0.4364 -2.0056 H 1 UNL11111111 0.1461 13 H 2.0765 0.3641 1.4178 H 1 UNL11111111 0.1363 14 H 0.4195 0.4164 2.0059 H 1 UNL11111111 0.1461 15 H -1.3768 1.7587 0.6127 H 1 UNL11111111 0.1328 16 H -0.8576 2.5931 -0.8511 H 1 UNL11111111 0.1354 17 H 1.4588 1.6902 -0.6114 H 1 UNL11111111 0.1327 18 H 0.9795 2.5491 0.8520 H 1 UNL11111111 0.1355 19 H -2.6421 -1.1952 0.4523 H 1 UNL11111111 0.2490 20 H -1.6770 -0.3752 1.4868 H 1 UNL11111111 0.2466 21 H 2.5811 -1.3211 -0.4641 H 1 UNL11111111 0.2489 22 H 1.6558 -0.4366 -1.4821 H 1 UNL11111111 0.2469 @BOND 1 12 5 1 2 22 2 1 3 11 5 1 4 5 3 1 5 5 7 1 6 9 3 1 7 16 7 1 8 2 21 1 9 2 4 1 10 17 8 1 11 3 4 1 12 3 1 1 13 7 8 1 14 7 15 1 15 8 18 1 16 8 6 1 17 4 10 1 18 4 6 1 19 19 1 1 20 1 20 1 21 6 13 1 22 6 14 1