REMARK  Name = BDB038496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.931  -1.611   1.008  0.00  0.00    +0.141 A 
ATOM      2  C   LIG    1        0.606  -0.588   0.081  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -0.709  -0.563  -0.427  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1       -1.700  -1.471  -0.018  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1       -1.353  -2.452   0.911  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.054  -2.526   1.412  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        1.544   0.405  -0.359  0.00  0.00    -0.260 N 
ATOM      8  C   LIG    1        1.243   1.562  -1.089  0.00  0.00    +0.252 C 
ATOM      9  O   LIG    1        0.177   2.032  -1.444  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.514   2.231  -1.387  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        2.737   3.385  -2.114  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        4.057   3.813  -2.257  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.111   3.085  -1.674  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        4.869   1.912  -0.933  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        3.543   1.502  -0.806  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        2.973   0.326  -0.078  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        5.987   1.128  -0.301  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        5.836   1.008   1.046  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        7.217   1.676  -0.494  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        6.062  -0.143  -0.782  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   2   7
BRANCH   4  21
ATOM     21  C   LIG    1       -3.069  -1.387  -0.554  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1       -4.178  -1.012   0.239  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -5.467  -1.010  -0.320  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.665  -1.342  -1.659  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.577  -1.687  -2.454  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.293  -1.712  -1.906  0.00  0.00    +0.009 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -4.042  -0.624   1.642  0.00  0.00    +0.164 A 
ATOM     28  N   LIG    1       -3.435   0.515   2.112  0.00  0.00    -0.317 N 
ATOM     29  C   LIG    1       -2.848   1.595   1.365  0.00  0.00    +0.152 C 
ATOM     30  C   LIG    1       -3.534   0.468   3.470  0.00  0.00    +0.225 A 
ATOM     31  N   LIG    1       -4.182  -0.614   3.827  0.00  0.00    -0.138 NA
ATOM     32  N   LIG    1       -4.515  -1.294   2.678  0.00  0.00    -0.129 NA
ENDBRANCH  22  27
ENDBRANCH   4  21
BRANCH   1  34
ATOM     33  C   LIG    1        2.542  -2.657   2.452  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        2.213  -1.656   1.496  0.00  0.00    -0.493 OA
ENDBRANCH   1  34
TORSDOF 5