D01RIT AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.465 -1.348 1.835 1.00 0.00 C HETATM 2 N UNL 1 1.285 -2.700 1.324 1.00 0.00 N HETATM 3 N UNL 1 2.204 -2.675 0.249 1.00 0.00 N HETATM 4 C UNL 1 1.848 -1.468 -0.311 1.00 0.00 C HETATM 5 C UNL 1 0.966 -0.799 0.627 1.00 0.00 C HETATM 6 C UNL 1 -0.004 -3.420 1.064 1.00 0.00 C HETATM 7 C UNL 1 -0.021 -4.207 -0.113 1.00 0.00 C HETATM 8 C UNL 1 -1.152 -4.226 -0.934 1.00 0.00 C HETATM 9 C UNL 1 -2.300 -3.535 -0.568 1.00 0.00 C HETATM 10 C UNL 1 -2.391 -3.003 0.723 1.00 0.00 C HETATM 11 C UNL 1 -1.251 -3.011 1.557 1.00 0.00 C HETATM 12 C UNL 1 2.328 -1.011 -1.627 1.00 0.00 C HETATM 13 CL UNL 1 -1.520 -2.785 3.250 1.00 0.00 Cl HETATM 14 C UNL 1 -0.213 0.066 0.396 1.00 0.00 C HETATM 15 CL UNL 1 -3.599 -3.328 -1.688 1.00 0.00 Cl HETATM 16 N UNL 1 3.549 -1.590 -1.996 1.00 0.00 N HETATM 17 C UNL 1 2.766 -0.838 2.420 1.00 0.00 C HETATM 18 C UNL 1 3.402 0.346 2.050 1.00 0.00 C HETATM 19 C UNL 1 4.652 0.585 2.709 1.00 0.00 C HETATM 20 C UNL 1 4.977 -0.391 3.634 1.00 0.00 C HETATM 21 S UNL 1 3.780 -1.675 3.537 1.00 0.00 S HETATM 22 C UNL 1 6.063 -0.456 4.584 1.00 0.00 C HETATM 23 C UNL 1 6.785 0.622 4.965 1.00 0.00 C HETATM 24 C UNL 1 7.827 0.629 6.072 1.00 0.00 C HETATM 25 C UNL 1 7.534 1.641 7.197 1.00 0.00 C HETATM 26 C UNL 1 6.226 1.378 7.929 1.00 0.00 C HETATM 27 O UNL 1 1.717 -0.163 -2.276 1.00 0.00 O HETATM 28 N UNL 1 4.084 -1.377 -3.277 1.00 0.00 N HETATM 29 C UNL 1 4.977 -0.228 -3.441 1.00 0.00 C HETATM 30 C UNL 1 6.442 -0.493 -3.845 1.00 0.00 C HETATM 31 C UNL 1 6.638 -1.745 -4.687 1.00 0.00 C HETATM 32 C UNL 1 5.890 -2.903 -4.046 1.00 0.00 C HETATM 33 C UNL 1 4.400 -2.581 -4.031 1.00 0.00 C HETATM 34 H UNL 1 0.882 -4.688 -0.457 1.00 0.00 H HETATM 35 H UNL 1 -1.105 -4.712 -1.910 1.00 0.00 H HETATM 36 H UNL 1 -3.335 -2.585 1.074 1.00 0.00 H HETATM 37 H UNL 1 -1.056 -0.300 0.997 1.00 0.00 H HETATM 38 H UNL 1 -0.545 0.009 -0.646 1.00 0.00 H HETATM 39 H UNL 1 -0.048 1.107 0.678 1.00 0.00 H HETATM 40 H UNL 1 3.915 -2.325 -1.389 1.00 0.00 H HETATM 41 H UNL 1 3.005 1.034 1.312 1.00 0.00 H HETATM 42 H UNL 1 5.262 1.465 2.530 1.00 0.00 H HETATM 43 H UNL 1 6.264 -1.412 5.063 1.00 0.00 H HETATM 44 H UNL 1 6.624 1.594 4.503 1.00 0.00 H HETATM 45 H UNL 1 8.803 0.888 5.640 1.00 0.00 H HETATM 46 H UNL 1 7.939 -0.368 6.514 1.00 0.00 H HETATM 47 H UNL 1 7.524 2.662 6.796 1.00 0.00 H HETATM 48 H UNL 1 8.352 1.607 7.930 1.00 0.00 H HETATM 49 H UNL 1 5.368 1.460 7.255 1.00 0.00 H HETATM 50 H UNL 1 6.088 2.109 8.733 1.00 0.00 H HETATM 51 H UNL 1 6.223 0.380 8.378 1.00 0.00 H HETATM 52 H UNL 1 4.985 0.398 -2.538 1.00 0.00 H HETATM 53 H UNL 1 4.535 0.400 -4.223 1.00 0.00 H HETATM 54 H UNL 1 6.822 0.371 -4.407 1.00 0.00 H HETATM 55 H UNL 1 7.065 -0.574 -2.946 1.00 0.00 H HETATM 56 H UNL 1 7.705 -1.980 -4.778 1.00 0.00 H HETATM 57 H UNL 1 6.265 -1.576 -5.705 1.00 0.00 H HETATM 58 H UNL 1 6.259 -3.074 -3.027 1.00 0.00 H HETATM 59 H UNL 1 6.069 -3.822 -4.615 1.00 0.00 H HETATM 60 H UNL 1 3.835 -3.444 -3.661 1.00 0.00 H HETATM 61 H UNL 1 4.064 -2.426 -5.064 1.00 0.00 H CONECT 1 2 5 17 CONECT 2 1 3 6 CONECT 3 2 4 CONECT 4 3 5 12 CONECT 5 4 1 14 CONECT 6 2 7 11 CONECT 7 6 8 34 CONECT 8 7 9 35 CONECT 9 8 10 15 CONECT 10 9 11 36 CONECT 11 10 6 13 CONECT 12 4 16 27 CONECT 13 11 CONECT 14 5 37 38 39 CONECT 15 9 CONECT 16 12 28 40 CONECT 17 1 18 21 CONECT 18 17 19 41 CONECT 19 18 20 42 CONECT 20 19 21 22 CONECT 21 20 17 CONECT 22 20 23 43 CONECT 23 22 24 44 CONECT 24 23 25 45 46 CONECT 25 24 26 47 48 CONECT 26 25 49 50 51 CONECT 27 12 CONECT 28 16 29 33 CONECT 29 28 30 52 53 CONECT 30 29 31 54 55 CONECT 31 30 32 56 57 CONECT 32 31 33 58 59 CONECT 33 32 28 60 61 CONECT 34 7 CONECT 35 8 CONECT 36 10 CONECT 37 14 CONECT 38 14 CONECT 39 14 CONECT 40 16 CONECT 41 18 CONECT 42 19 CONECT 43 22 CONECT 44 23 CONECT 45 24 CONECT 46 24 CONECT 47 25 CONECT 48 25 CONECT 49 26 CONECT 50 26 CONECT 51 26 CONECT 52 29 CONECT 53 29 CONECT 54 30 CONECT 55 30 CONECT 56 31 CONECT 57 31 CONECT 58 32 CONECT 59 32 CONECT 60 33 CONECT 61 33 MASTER 0 0 0 0 0 0 0 0 61 0 61 0 END M END $$$$