REMARK Name = BDB050746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.808 0.071 0.013 0.00 0.00 +0.075 A ATOM 2 C LIG 1 0.669 0.416 1.353 0.00 0.00 +0.170 A ATOM 3 F LIG 1 -0.338 -0.073 2.092 0.00 0.00 -0.202 F ATOM 4 C LIG 1 1.581 1.289 1.933 0.00 0.00 +0.159 A ATOM 5 F LIG 1 1.439 1.649 3.215 0.00 0.00 -0.202 F ATOM 6 C LIG 1 2.649 1.801 1.197 0.00 0.00 +0.045 A ATOM 7 C LIG 1 2.829 1.426 -0.143 0.00 0.00 -0.038 A ATOM 8 C LIG 1 1.891 0.564 -0.732 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 9 N LIG 1 -4.335 -0.433 -0.524 0.00 0.00 -0.327 N ATOM 10 C LIG 1 -3.518 0.542 0.224 0.00 0.00 +0.124 C ATOM 11 C LIG 1 -2.111 0.629 -0.401 0.00 0.00 +0.127 C ATOM 12 N LIG 1 -1.480 -0.694 -0.564 0.00 0.00 -0.294 N ATOM 13 C LIG 1 -0.105 -0.892 -0.627 0.00 0.00 +0.250 C ATOM 14 O LIG 1 0.418 -1.847 -1.201 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 -2.336 -1.692 -1.225 0.00 0.00 +0.127 C ATOM 16 C LIG 1 -3.733 -1.778 -0.582 0.00 0.00 +0.124 C BRANCH 9 19 ATOM 17 C LIG 1 -5.751 -1.751 1.866 0.00 0.00 +0.045 C ATOM 18 C LIG 1 -6.407 -0.918 0.799 0.00 0.00 -0.029 A ATOM 19 C LIG 1 -5.709 -0.335 -0.280 0.00 0.00 +0.034 A ATOM 20 C LIG 1 -6.437 0.442 -1.202 0.00 0.00 +0.043 A ATOM 21 C LIG 1 -7.814 0.615 -1.084 0.00 0.00 +0.043 A ATOM 22 CL LIG 1 -8.662 1.567 -2.240 0.00 0.00 -0.083 Cl ATOM 23 C LIG 1 -8.504 0.020 -0.039 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -7.804 -0.743 0.894 0.00 0.00 +0.006 A ENDBRANCH 9 19 ENDBRANCH 1 13 BRANCH 7 25 ATOM 25 C LIG 1 3.990 1.960 -0.952 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 5.339 1.762 -0.275 0.00 0.00 +0.074 A ATOM 27 C LIG 1 6.005 0.433 -0.308 0.00 0.00 +0.011 A ATOM 28 C LIG 1 7.231 0.321 0.346 0.00 0.00 +0.050 A ATOM 29 C LIG 1 7.921 -0.897 0.366 0.00 0.00 +0.014 A ATOM 30 C LIG 1 7.379 -2.011 -0.272 0.00 0.00 +0.001 A ATOM 31 C LIG 1 6.154 -1.906 -0.927 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.797 1.501 1.019 0.00 0.00 +0.272 A ATOM 33 O LIG 1 8.874 1.450 1.603 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 7.050 2.651 0.953 0.00 0.00 -0.242 N ATOM 35 H LIG 1 7.427 3.475 1.411 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 5.466 -0.689 -0.949 0.00 0.00 +0.010 A ATOM 37 N LIG 1 5.851 2.795 0.329 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 4