COMPND UNNAMED AUTHOR GENERATED BY OPEN BABEL 3.0.0 HETATM 1 O UNL 1 1.658 0.022 3.402 1.00 0.00 O HETATM 2 C UNL 1 1.125 0.017 2.310 1.00 0.00 C HETATM 3 C UNL 1 1.834 0.014 1.031 1.00 0.00 C HETATM 4 C UNL 1 3.200 0.016 0.743 1.00 0.00 C HETATM 5 C UNL 1 3.558 0.013 -0.610 1.00 0.00 C HETATM 6 O UNL 1 -0.206 0.007 2.101 1.00 0.00 O HETATM 7 C UNL 1 -0.464 0.003 0.666 1.00 0.00 C HETATM 8 C UNL 1 -1.244 1.235 0.293 1.00 0.00 C HETATM 9 C UNL 1 -0.901 2.451 0.859 1.00 0.00 C HETATM 10 C UNL 1 -1.603 3.594 0.532 1.00 0.00 C HETATM 11 C UNL 1 -2.658 3.526 -0.367 1.00 0.00 C HETATM 12 O UNL 1 -3.351 4.650 -0.689 1.00 0.00 O HETATM 13 C UNL 1 -3.003 2.312 -0.936 1.00 0.00 C HETATM 14 C UNL 1 -2.295 1.162 -0.608 1.00 0.00 C HETATM 15 O UNL 1 -2.646 -0.015 -1.177 1.00 0.00 O HETATM 16 C UNL 1 -2.278 -1.186 -0.604 1.00 0.00 C HETATM 17 C UNL 1 -2.969 -2.347 -0.930 1.00 0.00 C HETATM 18 C UNL 1 -2.608 -3.554 -0.356 1.00 0.00 C HETATM 19 O UNL 1 -3.283 -4.689 -0.677 1.00 0.00 O HETATM 20 C UNL 1 -1.554 -3.604 0.546 1.00 0.00 C HETATM 21 C UNL 1 -0.869 -2.450 0.869 1.00 0.00 C HETATM 22 C UNL 1 -1.226 -1.241 0.297 1.00 0.00 C HETATM 23 C UNL 1 0.876 0.007 -0.002 1.00 0.00 C HETATM 24 C UNL 1 1.237 0.004 -1.332 1.00 0.00 C HETATM 25 C UNL 1 2.595 0.007 -1.620 1.00 0.00 C HETATM 26 O UNL 1 5.839 0.020 -0.110 1.00 0.00 O HETATM 27 C UNL 1 4.989 0.015 -0.978 1.00 0.00 C HETATM 28 O UNL 1 5.351 0.012 -2.275 1.00 0.00 O HETATM 29 H UNL 1 3.944 0.021 1.526 1.00 0.00 H HETATM 30 H UNL 1 2.915 0.005 -2.652 1.00 0.00 H HETATM 31 H UNL 1 -0.081 2.506 1.559 1.00 0.00 H HETATM 32 H UNL 1 -1.332 4.540 0.977 1.00 0.00 H HETATM 33 H UNL 1 -2.993 5.129 -1.449 1.00 0.00 H HETATM 34 H UNL 1 -3.824 2.257 -1.636 1.00 0.00 H HETATM 35 H UNL 1 -3.789 -2.307 -1.632 1.00 0.00 H HETATM 36 H UNL 1 -2.916 -5.165 -1.434 1.00 0.00 H HETATM 37 H UNL 1 -1.271 -4.544 0.995 1.00 0.00 H HETATM 38 H UNL 1 -0.049 -2.490 1.572 1.00 0.00 H HETATM 39 H UNL 1 0.495 -0.001 -2.117 1.00 0.00 H HETATM 40 H UNL 1 6.299 0.013 -2.467 1.00 0.00 H CONECT 1 2 2 CONECT 2 1 1 3 6 CONECT 3 2 4 23 23 CONECT 4 3 5 5 29 CONECT 5 4 4 25 27 CONECT 6 2 7 CONECT 7 6 8 22 23 CONECT 8 7 9 14 14 CONECT 9 8 10 10 31 CONECT 10 9 9 11 32 CONECT 11 10 12 13 13 CONECT 12 11 33 CONECT 13 11 11 14 34 CONECT 14 8 8 13 15 CONECT 15 14 16 CONECT 16 15 17 17 22 CONECT 17 16 16 18 35 CONECT 18 17 19 20 20 CONECT 19 18 36 CONECT 20 18 18 21 37 CONECT 21 20 22 22 38 CONECT 22 7 16 21 21 CONECT 23 3 3 7 24 CONECT 24 23 25 25 39 CONECT 25 5 24 24 30 CONECT 26 27 27 CONECT 27 5 26 26 28 CONECT 28 27 40 CONECT 29 4 CONECT 30 25 CONECT 31 9 CONECT 32 10 CONECT 33 12 CONECT 34 13 CONECT 35 17 CONECT 36 19 CONECT 37 20 CONECT 38 21 CONECT 39 24 CONECT 40 28 MASTER 0 0 0 0 0 0 0 0 40 0 40 0 END