REMARK  Name = BDB064212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.402   0.521   1.107  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.240   1.738   1.764  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.787   1.952   2.969  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.491   2.764   1.173  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.089   2.564  -0.074  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -0.975   1.329  -0.734  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -0.212   0.313  -0.135  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  14
ATOM      8  O   LIG    1        5.187   0.806   0.306  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1        4.514   0.077   1.037  0.00  0.00    +0.233 C 
ATOM     10  N   LIG    1        4.891  -1.244   1.296  0.00  0.00    -0.290 N 
ATOM     11  C   LIG    1        3.951  -2.184   1.919  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        3.051  -1.502   2.945  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        2.388  -0.374   2.307  0.00  0.00    -0.287 N 
ATOM     14  C   LIG    1        1.144  -0.599   1.723  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1        0.619  -1.711   1.688  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        3.319   0.651   1.829  0.00  0.00    +0.204 C 
BRANCH  10  17
ATOM     17  C   LIG    1        5.984  -1.810   0.485  0.00  0.00    +0.221 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.576  -2.358  -0.886  0.00  0.00    +0.405 C 
ATOM     19  F   LIG    1        6.667  -2.737  -1.591  0.00  0.00    -0.169 F 
ATOM     20  F   LIG    1        4.897  -1.460  -1.628  0.00  0.00    -0.169 F 
ATOM     21  F   LIG    1        4.790  -3.453  -0.749  0.00  0.00    -0.169 F 
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   6  22
ATOM     22  C   LIG    1       -1.631   1.099  -2.083  0.00  0.00    +0.162 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.071   1.362  -2.087  0.00  0.00    -0.289 N 
ATOM     24  C   LIG    1       -4.000   0.417  -1.550  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -5.368   0.719  -1.548  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -6.317  -0.171  -1.025  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -5.905  -1.388  -0.494  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.552  -1.710  -0.489  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.819   2.001  -2.109  0.00  0.00    +0.262 A 
ATOM     30  O   LIG    1       -7.000   2.329  -2.117  0.00  0.00    -0.267 OA
ATOM     31  N   LIG    1       -4.842   2.808  -2.618  0.00  0.00    -0.274 N 
ATOM     32  H   LIG    1       -5.138   3.695  -2.995  0.00  0.00    +0.173 HD
ATOM     33  C   LIG    1       -3.608  -0.818  -1.014  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1       -3.498   2.572  -2.615  0.00  0.00    +0.330 A 
ATOM     35  O   LIG    1       -2.740   3.433  -3.062  0.00  0.00    -0.246 OA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 5