D0H2DL AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.106 0.967 0.414 1.00 0.00 C HETATM 2 C UNL 1 1.529 1.262 0.273 1.00 0.00 C HETATM 3 C UNL 1 2.247 1.901 1.495 1.00 0.00 C HETATM 4 O UNL 1 2.104 1.027 -0.794 1.00 0.00 O HETATM 5 S UNL 1 3.943 2.402 1.074 1.00 0.00 S HETATM 6 C UNL 1 4.700 3.125 2.502 1.00 0.00 C HETATM 7 N UNL 1 4.208 3.054 3.739 1.00 0.00 N HETATM 8 N UNL 1 5.217 3.655 4.439 1.00 0.00 N HETATM 9 N UNL 1 6.227 4.069 3.668 1.00 0.00 N HETATM 10 N UNL 1 5.915 3.726 2.420 1.00 0.00 N HETATM 11 C UNL 1 5.244 3.790 5.879 1.00 0.00 C HETATM 12 C UNL 1 4.119 3.310 6.553 1.00 0.00 C HETATM 13 C UNL 1 4.058 3.372 7.929 1.00 0.00 C HETATM 14 C UNL 1 5.134 3.856 8.652 1.00 0.00 C HETATM 15 C UNL 1 6.284 4.311 8.026 1.00 0.00 C HETATM 16 C UNL 1 6.337 4.322 6.606 1.00 0.00 C HETATM 17 N UNL 1 7.416 4.722 8.808 1.00 0.00 N HETATM 18 C UNL 1 7.607 4.381 10.153 1.00 0.00 C HETATM 19 O UNL 1 6.924 3.600 10.812 1.00 0.00 O HETATM 20 C UNL 1 8.791 5.027 10.835 1.00 0.00 C HETATM 21 O UNL 1 -0.496 1.113 1.628 1.00 0.00 O HETATM 22 N UNL 1 -1.849 0.848 1.519 1.00 0.00 N HETATM 23 C UNL 1 -2.085 0.548 0.231 1.00 0.00 C HETATM 24 C UNL 1 -0.842 0.512 -0.474 1.00 0.00 C HETATM 25 C UNL 1 -3.441 0.293 -0.282 1.00 0.00 C HETATM 26 C UNL 1 -4.595 0.650 0.437 1.00 0.00 C HETATM 27 C UNL 1 -5.871 0.506 -0.133 1.00 0.00 C HETATM 28 C UNL 1 -6.024 -0.217 -1.303 1.00 0.00 C HETATM 29 C UNL 1 -4.895 -0.808 -1.840 1.00 0.00 C HETATM 30 C UNL 1 -3.627 -0.334 -1.511 1.00 0.00 C HETATM 31 H UNL 1 2.263 1.168 2.304 1.00 0.00 H HETATM 32 H UNL 1 1.681 2.788 1.796 1.00 0.00 H HETATM 33 H UNL 1 3.268 2.903 6.014 1.00 0.00 H HETATM 34 H UNL 1 3.181 3.013 8.453 1.00 0.00 H HETATM 35 H UNL 1 5.028 3.873 9.732 1.00 0.00 H HETATM 36 H UNL 1 7.224 4.692 6.099 1.00 0.00 H HETATM 37 H UNL 1 8.182 5.187 8.335 1.00 0.00 H HETATM 38 H UNL 1 9.357 5.680 10.171 1.00 0.00 H HETATM 39 H UNL 1 9.451 4.238 11.213 1.00 0.00 H HETATM 40 H UNL 1 8.428 5.612 11.688 1.00 0.00 H HETATM 41 H UNL 1 -0.682 0.320 -1.525 1.00 0.00 H HETATM 42 H UNL 1 -4.516 1.093 1.427 1.00 0.00 H HETATM 43 H UNL 1 -6.751 0.896 0.369 1.00 0.00 H HETATM 44 H UNL 1 -7.003 -0.398 -1.740 1.00 0.00 H HETATM 45 H UNL 1 -4.988 -1.812 -2.257 1.00 0.00 H HETATM 46 H UNL 1 -2.811 -0.496 -2.208 1.00 0.00 H CONECT 1 2 21 24 CONECT 2 1 3 4 CONECT 3 2 5 31 32 CONECT 4 2 CONECT 5 3 6 CONECT 6 5 7 10 CONECT 7 6 8 CONECT 8 7 9 11 CONECT 9 8 10 CONECT 10 9 6 CONECT 11 8 12 16 CONECT 12 11 13 33 CONECT 13 12 14 34 CONECT 14 13 15 35 CONECT 15 14 16 17 CONECT 16 15 11 36 CONECT 17 15 18 37 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 38 39 40 CONECT 21 1 22 CONECT 22 21 23 CONECT 23 22 24 25 CONECT 24 23 1 41 CONECT 25 23 26 30 CONECT 26 25 27 42 CONECT 27 26 28 43 CONECT 28 27 29 44 CONECT 29 28 30 45 CONECT 30 29 25 46 CONECT 31 3 CONECT 32 3 CONECT 33 12 CONECT 34 13 CONECT 35 14 CONECT 36 16 CONECT 37 17 CONECT 38 20 CONECT 39 20 CONECT 40 20 CONECT 41 24 CONECT 42 26 CONECT 43 27 CONECT 44 28 CONECT 45 29 CONECT 46 30 MASTER 0 0 0 0 0 0 0 0 46 0 46 0 END M END $$$$