D0WP5S AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.017 0.097 0.016 1.00 0.00 C HETATM 2 C UNL 1 3.106 3.377 1.544 1.00 0.00 C HETATM 3 C UNL 1 2.386 2.247 1.018 1.00 0.00 C HETATM 4 N UNL 1 0.993 2.247 1.018 1.00 0.00 N HETATM 5 N UNL 1 0.321 1.191 0.526 1.00 0.00 N HETATM 6 C UNL 1 -1.149 1.191 0.526 1.00 0.00 C HETATM 7 C UNL 1 3.827 -1.088 -1.710 1.00 0.00 C HETATM 8 C UNL 1 4.626 3.377 1.544 1.00 0.00 C HETATM 9 C UNL 1 6.755 6.795 3.136 1.00 0.00 C HETATM 10 C UNL 1 7.476 7.925 3.663 1.00 0.00 C HETATM 11 C UNL 1 6.755 9.056 4.189 1.00 0.00 C HETATM 12 C UNL 1 5.315 9.056 4.189 1.00 0.00 C HETATM 13 C UNL 1 8.916 5.664 2.610 1.00 0.00 C HETATM 14 C UNL 1 7.476 5.664 2.610 1.00 0.00 C HETATM 15 C UNL 1 6.620 0.217 -5.791 1.00 0.00 C HETATM 16 C UNL 1 6.140 1.448 -5.217 1.00 0.00 C HETATM 17 C UNL 1 5.312 1.419 -4.039 1.00 0.00 C HETATM 18 C UNL 1 4.964 0.159 -3.434 1.00 0.00 C HETATM 19 N UNL 1 4.163 0.131 -2.295 1.00 0.00 N HETATM 20 C UNL 1 2.537 0.097 0.016 1.00 0.00 C HETATM 21 O UNL 1 3.010 -1.116 -0.549 1.00 0.00 O HETATM 22 O UNL 1 6.763 2.358 1.070 1.00 0.00 O HETATM 23 N UNL 1 7.412 3.377 1.544 1.00 0.00 N HETATM 24 C UNL 1 6.716 4.471 2.054 1.00 0.00 C HETATM 25 N UNL 1 5.323 4.471 2.054 1.00 0.00 N HETATM 26 C UNL 1 7.515 10.249 4.745 1.00 0.00 C HETATM 27 S UNL 1 7.817 11.443 3.419 1.00 0.00 S HETATM 28 N UNL 1 6.279 11.984 2.756 1.00 0.00 N HETATM 29 O UNL 1 8.582 12.645 3.979 1.00 0.00 O HETATM 30 O UNL 1 8.644 10.781 2.315 1.00 0.00 O HETATM 31 C UNL 1 4.805 2.718 -3.434 1.00 0.00 C HETATM 32 F UNL 1 5.247 3.745 -4.155 1.00 0.00 F HETATM 33 F UNL 1 3.475 2.717 -3.432 1.00 0.00 F HETATM 34 F UNL 1 5.250 2.829 -2.186 1.00 0.00 F HETATM 35 H UNL 1 2.902 1.437 0.640 1.00 0.00 H HETATM 36 H UNL 1 -1.506 2.105 0.952 1.00 0.00 H HETATM 37 H UNL 1 -1.506 0.364 1.105 1.00 0.00 H HETATM 38 H UNL 1 -1.506 1.102 -0.479 1.00 0.00 H HETATM 39 H UNL 1 5.723 6.795 3.136 1.00 0.00 H HETATM 40 H UNL 1 8.508 7.925 3.663 1.00 0.00 H HETATM 41 H UNL 1 4.366 9.422 4.360 1.00 0.00 H HETATM 42 H UNL 1 9.865 5.298 2.439 1.00 0.00 H HETATM 43 H UNL 1 7.187 -0.169 -6.561 1.00 0.00 H HETATM 44 H UNL 1 6.389 2.351 -5.650 1.00 0.00 H HETATM 45 H UNL 1 5.308 -0.723 -3.845 1.00 0.00 H HETATM 46 H UNL 1 2.894 0.923 -0.563 1.00 0.00 H HETATM 47 H UNL 1 2.894 0.185 1.021 1.00 0.00 H HETATM 48 H UNL 1 8.450 9.920 5.148 1.00 0.00 H HETATM 49 H UNL 1 6.937 10.712 5.517 1.00 0.00 H HETATM 50 H UNL 1 5.728 12.426 3.492 1.00 0.00 H HETATM 51 H UNL 1 5.769 11.184 2.383 1.00 0.00 H CONECT 1 2 5 20 CONECT 2 1 3 8 CONECT 3 2 4 35 CONECT 4 3 5 CONECT 5 4 1 6 CONECT 6 5 36 37 38 CONECT 7 15 19 21 CONECT 8 2 22 25 CONECT 9 10 14 39 CONECT 10 9 11 40 CONECT 11 10 12 26 CONECT 12 11 13 41 CONECT 13 12 14 42 CONECT 14 13 9 24 CONECT 15 7 16 43 CONECT 16 15 17 44 CONECT 17 31 16 18 CONECT 18 17 19 45 CONECT 19 18 7 CONECT 20 21 1 46 47 CONECT 21 20 7 CONECT 22 8 23 CONECT 23 22 24 CONECT 24 23 25 14 CONECT 25 24 8 CONECT 26 11 27 48 49 CONECT 27 26 28 29 30 CONECT 28 27 50 51 CONECT 29 27 CONECT 30 27 CONECT 31 32 33 34 17 CONECT 32 31 CONECT 33 31 CONECT 34 31 CONECT 35 3 CONECT 36 6 CONECT 37 6 CONECT 38 6 CONECT 39 9 CONECT 40 10 CONECT 41 12 CONECT 42 13 CONECT 43 15 CONECT 44 16 CONECT 45 18 CONECT 46 20 CONECT 47 20 CONECT 48 26 CONECT 49 26 CONECT 50 28 CONECT 51 28 MASTER 0 0 0 0 0 0 0 0 51 0 51 0 END M END $$$$