REMARK Name = BDB059113 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.784 0.792 0.257 0.00 0.00 +0.001 A ATOM 2 C LIG 1 -1.505 0.208 0.591 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -1.362 -0.393 1.869 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -0.111 -0.967 2.217 0.00 0.00 +0.015 A ATOM 5 C LIG 1 1.019 -0.995 1.371 0.00 0.00 -0.022 A ATOM 6 C LIG 1 2.324 -1.645 1.849 0.00 0.00 +0.017 C ATOM 7 C LIG 1 2.016 -3.117 2.240 0.00 0.00 +0.021 C ATOM 8 C LIG 1 2.825 -0.866 3.092 0.00 0.00 +0.021 C ATOM 9 C LIG 1 3.452 -1.657 0.803 0.00 0.00 -0.020 A ATOM 10 C LIG 1 4.689 -2.275 1.117 0.00 0.00 +0.052 A ATOM 11 C LIG 1 5.734 -2.324 0.196 0.00 0.00 +0.139 A ATOM 12 C LIG 1 5.576 -1.759 -1.064 0.00 0.00 +0.124 A ATOM 13 C LIG 1 4.367 -1.135 -1.396 0.00 0.00 +0.150 A ATOM 14 CL LIG 1 6.858 -1.819 -2.228 0.00 0.00 -0.076 Cl ATOM 15 C LIG 1 3.306 -1.069 -0.466 0.00 0.00 +0.069 A ATOM 16 C LIG 1 2.041 -0.370 -0.805 0.00 0.00 +0.201 C ATOM 17 O LIG 1 1.912 0.268 -1.847 0.00 0.00 -0.286 OA ATOM 18 C LIG 1 0.886 -0.403 0.121 0.00 0.00 +0.068 A ATOM 19 C LIG 1 -2.466 -0.404 2.765 0.00 0.00 +0.090 A ATOM 20 CL LIG 1 -2.364 -1.127 4.347 0.00 0.00 -0.079 Cl ATOM 21 C LIG 1 -3.688 0.165 2.412 0.00 0.00 +0.136 A ATOM 22 C LIG 1 -0.352 0.180 -0.260 0.00 0.00 +0.136 A ATOM 23 C LIG 1 -3.849 0.757 1.178 0.00 0.00 +0.056 A ENDROOT BRANCH 1 25 ATOM 24 C LIG 1 -2.864 2.866 -1.139 0.00 0.00 +0.132 A ATOM 25 C LIG 1 -3.068 1.468 -1.032 0.00 0.00 +0.029 A ATOM 26 C LIG 1 -3.555 0.755 -2.161 0.00 0.00 -0.017 A ATOM 27 C LIG 1 -3.767 -0.738 -2.122 0.00 0.00 +0.046 C ATOM 28 C LIG 1 -3.811 1.466 -3.352 0.00 0.00 +0.086 A ATOM 29 CL LIG 1 -4.384 0.660 -4.779 0.00 0.00 -0.079 Cl ATOM 30 C LIG 1 -3.616 2.851 -3.415 0.00 0.00 +0.139 A ATOM 31 C LIG 1 -3.155 3.556 -2.315 0.00 0.00 +0.093 A BRANCH 24 33 ATOM 32 C LIG 1 -1.184 4.204 -0.266 0.00 0.00 +0.277 C ATOM 33 O LIG 1 -2.432 3.554 -0.028 0.00 0.00 -0.494 OA ENDBRANCH 24 33 BRANCH 30 34 ATOM 34 O LIG 1 -3.874 3.570 -4.553 0.00 0.00 -0.505 OA ATOM 35 H LIG 1 -4.170 2.933 -5.229 0.00 0.00 +0.292 HD ENDBRANCH 30 34 ENDBRANCH 1 25 BRANCH 13 36 ATOM 36 O LIG 1 4.229 -0.597 -2.652 0.00 0.00 -0.504 OA ATOM 37 H LIG 1 5.065 -0.724 -3.138 0.00 0.00 +0.292 HD ENDBRANCH 13 36 BRANCH 11 38 ATOM 38 O LIG 1 6.912 -2.930 0.533 0.00 0.00 -0.505 OA ATOM 39 H LIG 1 6.867 -3.272 1.441 0.00 0.00 +0.292 HD ENDBRANCH 11 38 BRANCH 21 40 ATOM 40 O LIG 1 -4.770 0.166 3.251 0.00 0.00 -0.505 OA ATOM 41 H LIG 1 -4.495 -0.265 4.081 0.00 0.00 +0.292 HD ENDBRANCH 21 40 BRANCH 22 42 ATOM 42 O LIG 1 -0.476 0.749 -1.511 0.00 0.00 -0.505 OA ATOM 43 H LIG 1 0.396 0.720 -1.967 0.00 0.00 +0.292 HD ENDBRANCH 22 42 TORSDOF 7