D0ET3L AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.816 1.660 -0.371 1.00 0.00 C HETATM 2 C UNL 1 1.467 2.312 -1.552 1.00 0.00 C HETATM 3 C UNL 1 2.351 3.128 -2.245 1.00 0.00 C HETATM 4 C UNL 1 3.712 2.905 -1.963 1.00 0.00 C HETATM 5 C UNL 1 4.103 1.911 -1.027 1.00 0.00 C HETATM 6 C UNL 1 3.144 1.340 -0.187 1.00 0.00 C HETATM 7 N UNL 1 1.888 4.152 -3.182 1.00 0.00 N HETATM 8 C UNL 1 0.581 4.616 -3.517 1.00 0.00 C HETATM 9 C UNL 1 0.823 5.688 -4.405 1.00 0.00 C HETATM 10 C UNL 1 2.216 5.823 -4.598 1.00 0.00 C HETATM 11 N UNL 1 2.843 4.893 -3.847 1.00 0.00 N HETATM 12 C UNL 1 -0.788 4.111 -3.119 1.00 0.00 C HETATM 13 C UNL 1 3.099 6.893 -5.264 1.00 0.00 C HETATM 14 C UNL 1 2.779 7.671 -6.562 1.00 0.00 C HETATM 15 C UNL 1 1.643 7.691 -7.370 1.00 0.00 C HETATM 16 C UNL 1 1.558 8.541 -8.537 1.00 0.00 C HETATM 17 C UNL 1 2.605 9.388 -8.938 1.00 0.00 C HETATM 18 C UNL 1 3.747 9.370 -8.139 1.00 0.00 C HETATM 19 C UNL 1 3.822 8.544 -6.992 1.00 0.00 C HETATM 20 C UNL 1 -1.165 3.599 -1.862 1.00 0.00 C HETATM 21 C UNL 1 -2.427 3.014 -1.628 1.00 0.00 C HETATM 22 C UNL 1 -3.412 3.086 -2.600 1.00 0.00 C HETATM 23 C UNL 1 -3.123 3.700 -3.811 1.00 0.00 C HETATM 24 C UNL 1 -1.824 4.175 -4.069 1.00 0.00 C HETATM 25 BR UNL 1 -5.138 2.396 -2.266 1.00 0.00 Br HETATM 26 S UNL 1 3.521 0.101 1.020 1.00 0.00 S HETATM 27 O UNL 1 4.888 -0.330 0.859 1.00 0.00 O HETATM 28 O UNL 1 2.968 0.511 2.290 1.00 0.00 O HETATM 29 N UNL 1 2.577 -1.207 0.515 1.00 0.00 N HETATM 30 N UNL 1 2.615 10.256 -10.063 1.00 0.00 N HETATM 31 O UNL 1 0.535 9.990 -11.038 1.00 0.00 O HETATM 32 C UNL 1 1.639 10.520 -11.001 1.00 0.00 C HETATM 33 C UNL 1 2.035 11.533 -12.058 1.00 0.00 C HETATM 34 H UNL 1 1.053 1.316 0.324 1.00 0.00 H HETATM 35 H UNL 1 0.509 2.051 -1.973 1.00 0.00 H HETATM 36 H UNL 1 4.490 3.454 -2.489 1.00 0.00 H HETATM 37 H UNL 1 5.145 1.606 -0.951 1.00 0.00 H HETATM 38 H UNL 1 0.057 6.319 -4.828 1.00 0.00 H HETATM 39 H UNL 1 4.064 6.402 -5.460 1.00 0.00 H HETATM 40 H UNL 1 3.281 7.652 -4.489 1.00 0.00 H HETATM 41 H UNL 1 0.791 7.058 -7.139 1.00 0.00 H HETATM 42 H UNL 1 0.640 8.505 -9.125 1.00 0.00 H HETATM 43 H UNL 1 4.601 9.998 -8.384 1.00 0.00 H HETATM 44 H UNL 1 4.746 8.594 -6.414 1.00 0.00 H HETATM 45 H UNL 1 -0.485 3.602 -1.017 1.00 0.00 H HETATM 46 H UNL 1 -2.629 2.517 -0.679 1.00 0.00 H HETATM 47 H UNL 1 -3.894 3.811 -4.569 1.00 0.00 H HETATM 48 H UNL 1 -1.640 4.610 -5.048 1.00 0.00 H HETATM 49 H UNL 1 3.177 -1.991 0.252 1.00 0.00 H HETATM 50 H UNL 1 1.895 -1.448 1.236 1.00 0.00 H HETATM 51 H UNL 1 3.490 10.789 -10.185 1.00 0.00 H HETATM 52 H UNL 1 3.072 11.890 -11.938 1.00 0.00 H HETATM 53 H UNL 1 1.385 12.411 -12.013 1.00 0.00 H HETATM 54 H UNL 1 1.963 11.092 -13.070 1.00 0.00 H CONECT 1 2 6 34 CONECT 2 1 3 35 CONECT 3 2 4 7 CONECT 4 3 5 36 CONECT 5 4 6 37 CONECT 6 5 1 26 CONECT 7 3 8 11 CONECT 8 7 9 12 CONECT 9 8 10 38 CONECT 10 9 11 13 CONECT 11 10 7 CONECT 12 8 20 24 CONECT 13 10 14 39 40 CONECT 14 13 15 19 CONECT 15 14 16 41 CONECT 16 15 17 42 CONECT 17 16 18 30 CONECT 18 17 19 43 CONECT 19 18 14 44 CONECT 20 12 21 45 CONECT 21 20 22 46 CONECT 22 21 23 25 CONECT 23 22 24 47 CONECT 24 23 12 48 CONECT 25 22 CONECT 26 6 27 28 29 CONECT 27 26 CONECT 28 26 CONECT 29 26 49 50 CONECT 30 17 32 51 CONECT 31 32 CONECT 32 30 31 33 CONECT 33 32 52 53 54 CONECT 34 1 CONECT 35 2 CONECT 36 4 CONECT 37 5 CONECT 38 9 CONECT 39 13 CONECT 40 13 CONECT 41 15 CONECT 42 16 CONECT 43 18 CONECT 44 19 CONECT 45 20 CONECT 46 21 CONECT 47 23 CONECT 48 24 CONECT 49 29 CONECT 50 29 CONECT 51 30 CONECT 52 33 CONECT 53 33 CONECT 54 33 MASTER 0 0 0 0 0 0 0 0 54 0 54 0 END M END $$$$