D01IRA AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 2.742 -0.406 1.224 1.00 0.00 N HETATM 2 C UNL 1 2.060 -1.467 1.650 1.00 0.00 C HETATM 3 N UNL 1 1.129 -2.105 0.958 1.00 0.00 N HETATM 4 C UNL 1 1.201 -1.769 -0.341 1.00 0.00 C HETATM 5 C UNL 1 2.237 -1.100 -1.008 1.00 0.00 C HETATM 6 C UNL 1 2.758 -0.049 -0.099 1.00 0.00 C HETATM 7 N UNL 1 0.110 -1.558 -1.162 1.00 0.00 N HETATM 8 N UNL 1 0.474 -1.252 -2.427 1.00 0.00 N HETATM 9 C UNL 1 1.807 -1.492 -2.387 1.00 0.00 C HETATM 10 N UNL 1 3.232 1.301 -0.279 1.00 0.00 N HETATM 11 C UNL 1 2.244 -2.853 -3.132 1.00 0.00 C HETATM 12 C UNL 1 1.653 -3.704 -4.157 1.00 0.00 C HETATM 13 N UNL 1 2.497 -4.805 -4.238 1.00 0.00 N HETATM 14 N UNL 1 3.644 -4.606 -3.582 1.00 0.00 N HETATM 15 C UNL 1 3.510 -3.436 -2.954 1.00 0.00 C HETATM 16 C UNL 1 0.552 -3.329 -5.092 1.00 0.00 C HETATM 17 C UNL 1 2.446 -6.059 -4.965 1.00 0.00 C HETATM 18 C UNL 1 -0.407 -3.985 -5.875 1.00 0.00 C HETATM 19 C UNL 1 -1.451 -3.197 -6.466 1.00 0.00 C HETATM 20 C UNL 1 -1.651 -1.848 -6.104 1.00 0.00 C HETATM 21 C UNL 1 -0.597 -1.286 -5.365 1.00 0.00 C HETATM 22 C UNL 1 0.580 -1.966 -5.282 1.00 0.00 C HETATM 23 C UNL 1 -2.795 -0.930 -6.465 1.00 0.00 C HETATM 24 C UNL 1 -1.186 -1.159 -0.661 1.00 0.00 C HETATM 25 C UNL 1 -3.911 -0.034 -5.922 1.00 0.00 C HETATM 26 C UNL 1 -3.807 -1.320 -5.303 1.00 0.00 C HETATM 27 C UNL 1 4.711 1.343 -0.429 1.00 0.00 C HETATM 28 C UNL 1 5.175 2.637 0.272 1.00 0.00 C HETATM 29 C UNL 1 4.290 2.716 1.504 1.00 0.00 C HETATM 30 C UNL 1 2.959 2.198 0.947 1.00 0.00 C HETATM 31 S UNL 1 5.037 1.851 2.895 1.00 0.00 S HETATM 32 O UNL 1 5.171 0.440 2.603 1.00 0.00 O HETATM 33 O UNL 1 6.227 2.617 3.229 1.00 0.00 O HETATM 34 C UNL 1 3.965 2.027 4.301 1.00 0.00 C HETATM 35 H UNL 1 2.235 -1.767 2.672 1.00 0.00 H HETATM 36 H UNL 1 4.355 -3.013 -2.422 1.00 0.00 H HETATM 37 H UNL 1 1.713 -6.048 -5.763 1.00 0.00 H HETATM 38 H UNL 1 2.203 -6.864 -4.243 1.00 0.00 H HETATM 39 H UNL 1 3.435 -6.275 -5.373 1.00 0.00 H HETATM 40 H UNL 1 -0.401 -5.053 -6.058 1.00 0.00 H HETATM 41 H UNL 1 -2.167 -3.657 -7.156 1.00 0.00 H HETATM 42 H UNL 1 -0.704 -0.364 -4.826 1.00 0.00 H HETATM 43 H UNL 1 1.314 -1.694 -6.073 1.00 0.00 H HETATM 44 H UNL 1 -2.208 -0.042 -6.763 1.00 0.00 H HETATM 45 H UNL 1 -1.033 -0.332 0.043 1.00 0.00 H HETATM 46 H UNL 1 -1.647 -2.007 -0.152 1.00 0.00 H HETATM 47 H UNL 1 -1.812 -0.812 -1.487 1.00 0.00 H HETATM 48 H UNL 1 -4.736 0.160 -6.602 1.00 0.00 H HETATM 49 H UNL 1 -3.661 0.839 -5.324 1.00 0.00 H HETATM 50 H UNL 1 -4.525 -2.093 -5.536 1.00 0.00 H HETATM 51 H UNL 1 -3.449 -1.340 -4.276 1.00 0.00 H HETATM 52 H UNL 1 4.993 1.376 -1.483 1.00 0.00 H HETATM 53 H UNL 1 5.195 0.483 0.045 1.00 0.00 H HETATM 54 H UNL 1 4.979 3.512 -0.360 1.00 0.00 H HETATM 55 H UNL 1 6.247 2.634 0.503 1.00 0.00 H HETATM 56 H UNL 1 4.198 3.756 1.857 1.00 0.00 H HETATM 57 H UNL 1 2.426 3.079 0.557 1.00 0.00 H HETATM 58 H UNL 1 2.310 1.792 1.729 1.00 0.00 H HETATM 59 H UNL 1 4.420 1.470 5.128 1.00 0.00 H HETATM 60 H UNL 1 2.984 1.608 4.085 1.00 0.00 H HETATM 61 H UNL 1 3.897 3.080 4.594 1.00 0.00 H CONECT 1 2 6 CONECT 2 1 3 35 CONECT 3 2 4 CONECT 4 3 5 7 CONECT 5 4 6 9 CONECT 6 5 1 10 CONECT 7 4 8 24 CONECT 8 7 9 CONECT 9 8 5 11 CONECT 10 6 27 30 CONECT 11 9 12 15 CONECT 12 11 13 16 CONECT 13 12 14 17 CONECT 14 13 15 CONECT 15 14 11 36 CONECT 16 12 18 22 CONECT 17 13 37 38 39 CONECT 18 16 19 40 CONECT 19 18 20 41 CONECT 20 19 21 23 CONECT 21 20 22 42 CONECT 22 21 16 43 CONECT 23 20 25 26 44 CONECT 24 7 45 46 47 CONECT 25 23 26 48 49 CONECT 26 25 23 50 51 CONECT 27 10 28 52 53 CONECT 28 27 29 54 55 CONECT 29 28 30 31 56 CONECT 30 29 10 57 58 CONECT 31 32 33 34 29 CONECT 32 31 CONECT 33 31 CONECT 34 31 59 60 61 CONECT 35 2 CONECT 36 15 CONECT 37 17 CONECT 38 17 CONECT 39 17 CONECT 40 18 CONECT 41 19 CONECT 42 21 CONECT 43 22 CONECT 44 23 CONECT 45 24 CONECT 46 24 CONECT 47 24 CONECT 48 25 CONECT 49 25 CONECT 50 26 CONECT 51 26 CONECT 52 27 CONECT 53 27 CONECT 54 28 CONECT 55 28 CONECT 56 29 CONECT 57 30 CONECT 58 30 CONECT 59 34 CONECT 60 34 CONECT 61 34 MASTER 0 0 0 0 0 0 0 0 61 0 61 0 END M END $$$$