REMARK Name = BDB061161 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.145 2.692 -0.199 0.00 0.00 +0.058 C ATOM 2 C LIG 1 0.063 2.114 -0.193 0.00 0.00 +0.176 C ATOM 3 C LIG 1 1.323 2.869 -0.430 0.00 0.00 +0.231 C ATOM 4 O LIG 1 1.479 4.048 -0.662 0.00 0.00 -0.283 OA ATOM 5 C LIG 1 2.347 1.840 -0.313 0.00 0.00 +0.068 A ATOM 6 C LIG 1 1.699 0.642 -0.034 0.00 0.00 +0.143 A ATOM 7 C LIG 1 2.409 -0.527 0.133 0.00 0.00 +0.092 A ATOM 8 C LIG 1 3.806 -0.477 0.018 0.00 0.00 +0.124 A ATOM 9 C LIG 1 4.451 0.744 -0.269 0.00 0.00 +0.046 A ATOM 10 C LIG 1 3.717 1.925 -0.437 0.00 0.00 +0.019 A ATOM 11 O LIG 1 0.332 0.770 0.046 0.00 0.00 -0.451 OA ENDROOT BRANCH 1 18 ATOM 12 C LIG 1 -5.651 2.759 1.911 0.00 0.00 +0.047 C ATOM 13 C LIG 1 -4.638 2.044 1.064 0.00 0.00 -0.008 A ATOM 14 C LIG 1 -4.888 0.770 0.530 0.00 0.00 +0.127 A ATOM 15 C LIG 1 -3.961 0.145 -0.318 0.00 0.00 -0.008 A ATOM 16 C LIG 1 -4.246 -1.182 -0.961 0.00 0.00 +0.047 C ATOM 17 C LIG 1 -2.723 0.768 -0.540 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -2.420 2.005 0.042 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -3.392 2.642 0.825 0.00 0.00 +0.015 A BRANCH 14 20 ATOM 20 O LIG 1 -6.093 0.162 0.777 0.00 0.00 -0.480 OA BRANCH 20 21 ATOM 21 C LIG 1 -6.003 -0.660 1.943 0.00 0.00 +0.349 C BRANCH 21 22 ATOM 22 C LIG 1 -7.339 -1.323 2.218 0.00 0.00 +0.343 C ATOM 23 O LIG 1 -8.379 -1.219 1.589 0.00 0.00 -0.247 OA BRANCH 22 24 ATOM 24 O LIG 1 -7.295 -2.114 3.315 0.00 0.00 -0.478 OA ATOM 25 H LIG 1 -8.207 -2.472 3.375 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 14 20 ENDBRANCH 1 18 BRANCH 8 26 ATOM 26 O LIG 1 4.419 -1.687 0.196 0.00 0.00 -0.492 OA BRANCH 26 27 ATOM 27 C LIG 1 5.846 -1.751 0.200 0.00 0.00 +0.232 C BRANCH 27 28 ATOM 28 C LIG 1 6.411 -1.933 -1.218 0.00 0.00 +0.020 C ATOM 29 C LIG 1 5.882 -3.215 -1.866 0.00 0.00 +0.010 C ATOM 30 C LIG 1 7.938 -1.946 -1.181 0.00 0.00 +0.010 C ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 8