REMARK  Name = BDB063647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.656   0.361  -0.381  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.203   0.380   0.701  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.264   0.454   1.599  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.340   0.509  -1.554  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.569   0.397   0.679  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.470  -0.021  -0.450  0.00  0.00    +0.293 A 
ATOM      7  O   LIG    1       -2.106  -0.632  -1.441  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -3.786   0.260  -0.021  0.00  0.00    -0.213 N 
ATOM      9  N   LIG    1       -3.746   0.654   1.349  0.00  0.00    -0.282 N 
ATOM     10  C   LIG    1       -4.624   1.793   1.659  0.00  0.00    +0.171 C 
ATOM     11  C   LIG    1       -2.389   0.720   1.696  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -1.989   1.160   3.070  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.909  -0.443  -0.533  0.00  0.00    +0.102 A 
ATOM     14  C   LIG    1       -5.108  -0.562  -1.915  0.00  0.00    +0.149 A 
ATOM     15  F   LIG    1       -4.294   0.058  -2.783  0.00  0.00    -0.203 F 
ATOM     16  C   LIG    1       -6.202  -1.254  -2.434  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -7.128  -1.837  -1.572  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -6.959  -1.717  -0.194  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.860  -1.021   0.322  0.00  0.00    +0.031 A 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  25
ATOM     20  C   LIG    1        3.262   0.211  -2.295  0.00  0.00    +0.050 C 
ATOM     21  C   LIG    1        3.224   0.148  -0.814  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        4.270   0.013   0.077  0.00  0.00    +0.174 A 
ATOM     23  O   LIG    1        3.779   0.030   1.347  0.00  0.00    -0.354 OA
ATOM     24  N   LIG    1        2.407   0.158   1.321  0.00  0.00    -0.073 NA
ATOM     25  C   LIG    1        2.066   0.223   0.021  0.00  0.00    +0.171 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.710  -0.164  -0.030  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        6.592   0.527   0.813  0.00  0.00    +0.135 A 
ATOM     28  F   LIG    1        6.123   1.389   1.728  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        7.972   0.360   0.719  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1        8.489  -0.514  -0.231  0.00  0.00    +0.044 A 
ATOM     31 CL   LIG    1       10.190  -0.730  -0.358  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1        7.636  -1.216  -1.081  0.00  0.00    +0.021 A 
ATOM     33  C   LIG    1        6.252  -1.042  -0.980  0.00  0.00    +0.016 A 
ENDBRANCH  22  26
ENDBRANCH   1  25
TORSDOF 4