D00ITT AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 3.178 1.793 -0.581 1.00 0.00 C HETATM 2 C UNL 1 3.983 2.490 0.323 1.00 0.00 C HETATM 3 C UNL 1 4.573 1.801 1.394 1.00 0.00 C HETATM 4 C UNL 1 4.606 0.402 1.300 1.00 0.00 C HETATM 5 C UNL 1 4.118 -0.238 0.172 1.00 0.00 C HETATM 6 C UNL 1 3.166 0.416 -0.605 1.00 0.00 C HETATM 7 C UNL 1 5.085 2.433 2.689 1.00 0.00 C HETATM 8 C UNL 1 3.906 3.256 3.240 1.00 0.00 C HETATM 9 C UNL 1 4.092 3.970 4.439 1.00 0.00 C HETATM 10 C UNL 1 5.454 4.150 5.048 1.00 0.00 C HETATM 11 C UNL 1 6.539 4.057 3.981 1.00 0.00 C HETATM 12 N UNL 1 6.372 3.149 2.816 1.00 0.00 N HETATM 13 C UNL 1 2.543 3.462 2.855 1.00 0.00 C HETATM 14 C UNL 1 1.800 4.203 3.751 1.00 0.00 C HETATM 15 S UNL 1 2.713 4.622 5.109 1.00 0.00 S HETATM 16 C UNL 1 7.646 2.833 2.236 1.00 0.00 C HETATM 17 O UNL 1 8.665 3.407 2.614 1.00 0.00 O HETATM 18 C UNL 1 7.738 1.831 1.073 1.00 0.00 C HETATM 19 N UNL 1 9.148 1.437 0.740 1.00 0.00 N HETATM 20 C UNL 1 9.831 0.530 1.682 1.00 0.00 C HETATM 21 C UNL 1 9.036 -0.728 2.032 1.00 0.00 C HETATM 22 C UNL 1 11.168 0.081 1.061 1.00 0.00 C HETATM 23 O UNL 1 2.202 -0.200 -1.348 1.00 0.00 O HETATM 24 C UNL 1 2.183 -1.629 -1.374 1.00 0.00 C HETATM 25 H UNL 1 2.515 2.339 -1.261 1.00 0.00 H HETATM 26 H UNL 1 3.969 3.586 0.311 1.00 0.00 H HETATM 27 H UNL 1 5.017 -0.210 2.101 1.00 0.00 H HETATM 28 H UNL 1 4.820 -0.895 -0.349 1.00 0.00 H HETATM 29 H UNL 1 5.194 1.603 3.397 1.00 0.00 H HETATM 30 H UNL 1 5.510 5.145 5.536 1.00 0.00 H HETATM 31 H UNL 1 5.588 3.398 5.820 1.00 0.00 H HETATM 32 H UNL 1 7.459 3.795 4.522 1.00 0.00 H HETATM 33 H UNL 1 6.714 5.070 3.544 1.00 0.00 H HETATM 34 H UNL 1 2.092 3.086 1.942 1.00 0.00 H HETATM 35 H UNL 1 0.752 4.505 3.656 1.00 0.00 H HETATM 36 H UNL 1 7.361 2.361 0.189 1.00 0.00 H HETATM 37 H UNL 1 7.149 0.954 1.244 1.00 0.00 H HETATM 38 H UNL 1 9.706 2.298 0.680 1.00 0.00 H HETATM 39 H UNL 1 10.060 1.071 2.606 1.00 0.00 H HETATM 40 H UNL 1 8.788 -1.308 1.136 1.00 0.00 H HETATM 41 H UNL 1 8.109 -0.490 2.562 1.00 0.00 H HETATM 42 H UNL 1 9.621 -1.377 2.694 1.00 0.00 H HETATM 43 H UNL 1 11.012 -0.520 0.156 1.00 0.00 H HETATM 44 H UNL 1 11.731 -0.542 1.767 1.00 0.00 H HETATM 45 H UNL 1 11.806 0.931 0.797 1.00 0.00 H HETATM 46 H UNL 1 1.789 -2.077 -0.453 1.00 0.00 H HETATM 47 H UNL 1 3.172 -2.031 -1.609 1.00 0.00 H HETATM 48 H UNL 1 1.511 -1.917 -2.190 1.00 0.00 H CONECT 1 2 6 25 CONECT 2 1 3 26 CONECT 3 2 4 7 CONECT 4 3 5 27 CONECT 5 4 6 28 CONECT 6 23 5 1 CONECT 7 3 8 12 29 CONECT 8 7 9 13 CONECT 9 8 10 15 CONECT 10 9 11 30 31 CONECT 11 10 12 32 33 CONECT 12 11 7 16 CONECT 13 8 14 34 CONECT 14 13 15 35 CONECT 15 14 9 CONECT 16 12 17 18 CONECT 17 16 CONECT 18 16 19 36 37 CONECT 19 18 20 38 CONECT 20 19 21 22 39 CONECT 21 20 40 41 42 CONECT 22 20 43 44 45 CONECT 23 24 6 CONECT 24 23 46 47 48 CONECT 25 1 CONECT 26 2 CONECT 27 4 CONECT 28 5 CONECT 29 7 CONECT 30 10 CONECT 31 10 CONECT 32 11 CONECT 33 11 CONECT 34 13 CONECT 35 14 CONECT 36 18 CONECT 37 18 CONECT 38 19 CONECT 39 20 CONECT 40 21 CONECT 41 21 CONECT 42 21 CONECT 43 22 CONECT 44 22 CONECT 45 22 CONECT 46 24 CONECT 47 24 CONECT 48 24 MASTER 0 0 0 0 0 0 0 0 48 0 48 0 END M END $$$$