D07MRK AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 4.138 2.040 -1.977 1.00 0.00 C HETATM 2 C UNL 1 4.188 1.554 -3.298 1.00 0.00 C HETATM 3 C UNL 1 3.220 0.584 -3.627 1.00 0.00 C HETATM 4 C UNL 1 2.626 -0.116 -2.573 1.00 0.00 C HETATM 5 C UNL 1 3.379 -0.087 -1.403 1.00 0.00 C HETATM 6 C UNL 1 3.653 1.203 -0.983 1.00 0.00 C HETATM 7 N UNL 1 1.231 0.083 -2.299 1.00 0.00 N HETATM 8 C UNL 1 4.603 -1.026 -1.340 1.00 0.00 C HETATM 9 C UNL 1 5.449 1.764 -4.062 1.00 0.00 C HETATM 10 S UNL 1 5.731 1.076 -5.614 1.00 0.00 S HETATM 11 C UNL 1 7.423 1.368 -5.536 1.00 0.00 C HETATM 12 C UNL 1 7.769 2.004 -4.370 1.00 0.00 C HETATM 13 C UNL 1 6.631 2.306 -3.567 1.00 0.00 C HETATM 14 C UNL 1 8.357 0.971 -6.554 1.00 0.00 C HETATM 15 N UNL 1 9.138 0.669 -7.351 1.00 0.00 N HETATM 16 S UNL 1 -0.058 -0.375 -3.237 1.00 0.00 S HETATM 17 C UNL 1 -0.026 -2.132 -3.020 1.00 0.00 C HETATM 18 O UNL 1 -1.238 0.131 -2.576 1.00 0.00 O HETATM 19 O UNL 1 0.218 -0.075 -4.633 1.00 0.00 O HETATM 20 C UNL 1 -0.774 -2.763 -2.014 1.00 0.00 C HETATM 21 C UNL 1 -0.621 -4.146 -1.806 1.00 0.00 C HETATM 22 C UNL 1 0.265 -4.873 -2.604 1.00 0.00 C HETATM 23 C UNL 1 0.959 -4.228 -3.632 1.00 0.00 C HETATM 24 C UNL 1 0.809 -2.866 -3.852 1.00 0.00 C HETATM 25 O UNL 1 0.567 -6.200 -2.513 1.00 0.00 O HETATM 26 C UNL 1 -0.025 -6.960 -1.475 1.00 0.00 C HETATM 27 H UNL 1 4.629 2.964 -1.689 1.00 0.00 H HETATM 28 H UNL 1 2.959 0.359 -4.657 1.00 0.00 H HETATM 29 H UNL 1 3.808 1.435 0.065 1.00 0.00 H HETATM 30 H UNL 1 0.991 0.754 -1.571 1.00 0.00 H HETATM 31 H UNL 1 5.081 -1.119 -2.326 1.00 0.00 H HETATM 32 H UNL 1 4.324 -2.021 -0.991 1.00 0.00 H HETATM 33 H UNL 1 5.369 -0.618 -0.667 1.00 0.00 H HETATM 34 H UNL 1 8.791 2.233 -4.081 1.00 0.00 H HETATM 35 H UNL 1 6.714 2.789 -2.602 1.00 0.00 H HETATM 36 H UNL 1 -1.452 -2.192 -1.381 1.00 0.00 H HETATM 37 H UNL 1 -1.192 -4.618 -1.012 1.00 0.00 H HETATM 38 H UNL 1 1.641 -4.796 -4.259 1.00 0.00 H HETATM 39 H UNL 1 1.366 -2.380 -4.648 1.00 0.00 H HETATM 40 H UNL 1 0.329 -7.990 -1.591 1.00 0.00 H HETATM 41 H UNL 1 -1.115 -6.971 -1.563 1.00 0.00 H HETATM 42 H UNL 1 0.295 -6.608 -0.489 1.00 0.00 H CONECT 1 2 6 27 CONECT 2 1 3 9 CONECT 3 2 4 28 CONECT 4 3 5 7 CONECT 5 4 6 8 CONECT 6 5 1 29 CONECT 7 4 16 30 CONECT 8 5 31 32 33 CONECT 9 2 10 13 CONECT 10 9 11 CONECT 11 10 12 14 CONECT 12 11 13 34 CONECT 13 12 9 35 CONECT 14 11 15 CONECT 15 14 CONECT 16 7 17 18 19 CONECT 17 16 20 24 CONECT 18 16 CONECT 19 16 CONECT 20 17 21 36 CONECT 21 20 22 37 CONECT 22 21 23 25 CONECT 23 22 24 38 CONECT 24 23 17 39 CONECT 25 22 26 CONECT 26 25 40 41 42 CONECT 27 1 CONECT 28 3 CONECT 29 6 CONECT 30 7 CONECT 31 8 CONECT 32 8 CONECT 33 8 CONECT 34 12 CONECT 35 13 CONECT 36 20 CONECT 37 21 CONECT 38 23 CONECT 39 24 CONECT 40 26 CONECT 41 26 CONECT 42 26 MASTER 0 0 0 0 0 0 0 0 42 0 42 0 END M END $$$$