D0G3DM AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 0.745 1.243 -1.619 1.00 0.00 N HETATM 2 C UNL 1 0.078 0.077 -1.281 1.00 0.00 C HETATM 3 C UNL 1 -1.279 0.332 -1.350 1.00 0.00 C HETATM 4 C UNL 1 -1.286 1.717 -1.797 1.00 0.00 C HETATM 5 N UNL 1 -0.075 2.233 -2.002 1.00 0.00 N HETATM 6 C UNL 1 2.170 1.533 -1.594 1.00 0.00 C HETATM 7 C UNL 1 2.540 2.761 -0.751 1.00 0.00 C HETATM 8 O UNL 1 2.266 2.546 0.632 1.00 0.00 O HETATM 9 C UNL 1 -2.525 -0.370 -1.014 1.00 0.00 C HETATM 10 N UNL 1 -2.914 -1.639 -0.593 1.00 0.00 N HETATM 11 O UNL 1 -3.525 0.371 -1.049 1.00 0.00 O HETATM 12 C UNL 1 -3.099 -3.036 -0.180 1.00 0.00 C HETATM 13 C UNL 1 -2.449 -4.415 -0.236 1.00 0.00 C HETATM 14 C UNL 1 -3.119 -5.691 0.295 1.00 0.00 C HETATM 15 C UNL 1 -4.349 -5.358 0.882 1.00 0.00 C HETATM 16 C UNL 1 -4.697 -4.083 1.303 1.00 0.00 C HETATM 17 C UNL 1 -4.341 -3.044 0.482 1.00 0.00 C HETATM 18 C UNL 1 -2.959 -7.386 0.484 1.00 0.00 C HETATM 19 S UNL 1 -1.753 -8.669 0.084 1.00 0.00 S HETATM 20 C UNL 1 -2.814 -10.046 0.905 1.00 0.00 C HETATM 21 N UNL 1 -3.905 -9.417 1.309 1.00 0.00 N HETATM 22 N UNL 1 -3.952 -8.026 1.121 1.00 0.00 N HETATM 23 C UNL 1 -2.199 -12.550 1.673 1.00 0.00 C HETATM 24 C UNL 1 -2.914 -13.503 2.502 1.00 0.00 C HETATM 25 C UNL 1 -2.207 -14.198 3.567 1.00 0.00 C HETATM 26 C UNL 1 -0.878 -13.831 3.767 1.00 0.00 C HETATM 27 C UNL 1 -0.195 -13.065 2.820 1.00 0.00 C HETATM 28 C UNL 1 -0.839 -12.808 1.601 1.00 0.00 C HETATM 29 C UNL 1 -2.423 -15.138 4.629 1.00 0.00 C HETATM 30 N UNL 1 -1.416 -15.144 5.528 1.00 0.00 N HETATM 31 N UNL 1 -0.586 -14.207 5.050 1.00 0.00 N HETATM 32 N UNL 1 -2.773 -11.510 0.770 1.00 0.00 N HETATM 33 H UNL 1 0.621 -0.797 -0.978 1.00 0.00 H HETATM 34 H UNL 1 -2.132 2.378 -1.962 1.00 0.00 H HETATM 35 H UNL 1 2.488 1.684 -2.633 1.00 0.00 H HETATM 36 H UNL 1 2.691 0.664 -1.195 1.00 0.00 H HETATM 37 H UNL 1 2.020 3.669 -1.075 1.00 0.00 H HETATM 38 H UNL 1 3.615 2.957 -0.838 1.00 0.00 H HETATM 39 H UNL 1 1.317 2.740 0.755 1.00 0.00 H HETATM 40 H UNL 1 -3.831 -1.225 -0.424 1.00 0.00 H HETATM 41 H UNL 1 -1.489 -4.481 -0.743 1.00 0.00 H HETATM 42 H UNL 1 -5.146 -6.094 0.965 1.00 0.00 H HETATM 43 H UNL 1 -4.254 -3.853 2.302 1.00 0.00 H HETATM 44 H UNL 1 -4.992 -2.168 0.568 1.00 0.00 H HETATM 45 H UNL 1 -3.985 -13.668 2.447 1.00 0.00 H HETATM 46 H UNL 1 0.733 -12.561 3.050 1.00 0.00 H HETATM 47 H UNL 1 -0.721 -13.744 0.967 1.00 0.00 H HETATM 48 H UNL 1 -3.261 -15.793 4.856 1.00 0.00 H HETATM 49 H UNL 1 0.175 -13.859 5.641 1.00 0.00 H HETATM 50 H UNL 1 -3.755 -11.803 0.761 1.00 0.00 H CONECT 1 2 5 6 CONECT 2 1 3 33 CONECT 3 2 4 9 CONECT 4 3 5 34 CONECT 5 4 1 CONECT 6 1 7 35 36 CONECT 7 6 8 37 38 CONECT 8 7 39 CONECT 9 3 10 11 CONECT 10 9 12 40 CONECT 11 9 CONECT 12 10 13 17 CONECT 13 12 14 41 CONECT 14 13 15 18 CONECT 15 14 16 42 CONECT 16 15 17 43 CONECT 17 16 12 44 CONECT 18 14 19 22 CONECT 19 18 20 CONECT 20 19 21 32 CONECT 21 20 22 CONECT 22 21 18 CONECT 23 24 28 32 CONECT 24 23 25 45 CONECT 25 24 26 29 CONECT 26 25 27 31 CONECT 27 26 28 46 CONECT 28 27 23 47 CONECT 29 25 30 48 CONECT 30 29 31 CONECT 31 30 26 49 CONECT 32 20 23 50 CONECT 33 2 CONECT 34 4 CONECT 35 6 CONECT 36 6 CONECT 37 7 CONECT 38 7 CONECT 39 8 CONECT 40 10 CONECT 41 13 CONECT 42 15 CONECT 43 16 CONECT 44 17 CONECT 45 24 CONECT 46 27 CONECT 47 28 CONECT 48 29 CONECT 49 31 CONECT 50 32 MASTER 0 0 0 0 0 0 0 0 50 0 50 0 END M END $$$$