COMPND his.inp.log AUTHOR GENERATED BY OPEN BABEL 2.0.0rc1 ATOM 1 N UNK 0 -0.482 2.110 -0.208 1.00 0.00 N ATOM 2 C UNK 0 0.667 1.207 -0.318 1.00 0.00 C ATOM 3 C UNK 0 1.564 1.564 -1.517 1.00 0.00 C ATOM 4 O UNK 0 1.198 2.268 -2.426 1.00 0.00 O ATOM 5 O UNK 0 2.799 1.004 -1.534 1.00 0.00 O ATOM 6 C UNK 0 0.176 -0.262 -0.452 1.00 0.00 C ATOM 7 C UNK 0 -0.505 -0.770 0.779 1.00 0.00 C ATOM 8 C UNK 0 -0.397 -1.940 1.498 1.00 0.00 C ATOM 9 N UNK 0 -1.265 -1.944 2.567 1.00 0.00 N ATOM 10 C UNK 0 -1.893 -0.787 2.500 1.00 0.00 C ATOM 11 N UNK 0 -1.479 -0.043 1.435 1.00 0.00 N ATOM 12 H UNK 0 -0.160 3.025 0.104 1.00 0.00 H ATOM 13 H UNK 0 -0.834 2.267 -1.153 1.00 0.00 H ATOM 14 H UNK 0 1.257 1.288 0.605 1.00 0.00 H ATOM 15 H UNK 0 1.020 -0.921 -0.682 1.00 0.00 H ATOM 16 H UNK 0 -0.491 -0.304 -1.326 1.00 0.00 H ATOM 17 H UNK 0 0.253 -2.782 1.298 1.00 0.00 H ATOM 18 H UNK 0 2.953 0.499 -0.722 1.00 0.00 H ATOM 19 H UNK 0 -1.706 0.910 1.166 1.00 0.00 H ATOM 20 H UNK 0 -2.648 -0.439 3.192 1.00 0.00 H CONECT 1 13 2 12 CONECT 2 3 6 1 14 CONECT 3 4 5 2 CONECT 4 3 CONECT 5 3 18 CONECT 6 16 15 2 7 CONECT 7 6 11 8 CONECT 8 7 17 9 CONECT 9 8 10 CONECT 10 11 9 20 CONECT 11 7 19 10 CONECT 12 1 CONECT 13 1 CONECT 14 2 CONECT 15 6 CONECT 16 6 CONECT 17 8 CONECT 18 5 CONECT 19 11 CONECT 20 10 MASTER 0 0 0 0 0 0 0 0 20 0 20 0 END