COMPND UNNAMED AUTHOR GENERATED BY OPEN BABEL 3.0.0 HETATM 1 C UNL 1 -0.110 -0.226 3.639 1.00 0.00 C HETATM 2 C UNL 1 1.137 -0.104 3.057 1.00 0.00 C HETATM 3 C UNL 1 1.281 0.573 1.861 1.00 0.00 C HETATM 4 C UNL 1 0.170 1.132 1.245 1.00 0.00 C HETATM 5 C UNL 1 -1.081 1.008 1.831 1.00 0.00 C HETATM 6 C UNL 1 -1.219 0.324 3.024 1.00 0.00 C HETATM 7 C UNL 1 -0.263 -0.966 4.943 1.00 0.00 C HETATM 8 CA UNL 1 -0.098 0.011 6.107 1.00 0.00 C HETATM 9 C UNL 1 -0.250 -0.728 7.411 1.00 0.00 C HETATM 10 C UNL 1 0.151 0.883 -0.922 1.00 0.00 C HETATM 11 C UNL 1 0.241 1.276 -2.250 1.00 0.00 C HETATM 12 C UNL 1 0.082 0.345 -3.258 1.00 0.00 C HETATM 13 C UNL 1 -0.166 -0.982 -2.943 1.00 0.00 C HETATM 14 C UNL 1 -0.255 -1.375 -1.616 1.00 0.00 C HETATM 15 C UNL 1 -0.091 -0.445 -0.607 1.00 0.00 C HETATM 16 N UNL 1 1.235 0.625 6.046 1.00 0.00 N HETATM 17 O UNL 1 0.307 1.799 0.069 1.00 0.00 O HETATM 18 O UNL 1 -0.322 -1.899 -3.936 1.00 0.00 O HETATM 19 O UNL 1 0.716 -1.214 7.947 1.00 0.00 O HETATM 20 OXT UNL 1 -1.462 -0.847 7.977 1.00 0.00 O HETATM 21 I UNL 1 3.172 0.757 0.980 1.00 0.00 I HETATM 22 I UNL 1 0.217 0.939 -5.263 1.00 0.00 I HETATM 23 I UNL 1 -2.761 1.849 0.905 1.00 0.00 I HETATM 24 I UNL 1 -0.630 -3.381 -1.140 1.00 0.00 I HETATM 25 H UNL 1 2.001 -0.539 3.537 1.00 0.00 H HETATM 26 H UNL 1 -2.193 0.227 3.481 1.00 0.00 H HETATM 27 H UNL 1 0.497 -1.744 5.011 1.00 0.00 H HETATM 28 H UNL 1 -1.252 -1.422 4.988 1.00 0.00 H HETATM 29 HA UNL 1 -0.859 0.789 6.039 1.00 0.00 H HETATM 30 H UNL 1 0.434 2.310 -2.495 1.00 0.00 H HETATM 31 H UNL 1 -0.160 -0.751 0.425 1.00 0.00 H HETATM 32 H1 UNL 1 1.904 -0.127 6.112 1.00 0.00 H HETATM 33 H2 UNL 1 1.331 1.018 5.122 1.00 0.00 H HETATM 34 H UNL 1 0.556 -2.255 -4.128 1.00 0.00 H HETATM 35 HXT UNL 1 -1.560 -1.322 8.814 1.00 0.00 H CONECT 1 2 2 6 7 CONECT 2 1 1 3 25 CONECT 3 2 4 4 21 CONECT 4 3 3 5 17 CONECT 5 4 6 6 23 CONECT 6 1 5 5 26 CONECT 7 1 8 27 28 CONECT 8 7 9 16 29 CONECT 9 8 19 19 20 CONECT 10 11 11 15 17 CONECT 11 10 10 12 30 CONECT 12 11 13 13 22 CONECT 13 12 12 14 18 CONECT 14 13 15 15 24 CONECT 15 10 14 14 31 CONECT 16 8 32 33 CONECT 17 4 10 CONECT 18 13 34 CONECT 19 9 9 CONECT 20 9 35 CONECT 21 3 CONECT 22 12 CONECT 23 5 CONECT 24 14 CONECT 25 2 CONECT 26 6 CONECT 27 7 CONECT 28 7 CONECT 29 8 CONECT 30 11 CONECT 31 15 CONECT 32 16 CONECT 33 16 CONECT 34 18 CONECT 35 20 MASTER 0 0 0 0 0 0 0 0 35 0 35 0 END