REMARK  Name = BDB033103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.107  -1.923   2.332  0.00  0.00    +0.022 C 
ATOM      2  C   LIG    1        0.351  -0.586   2.318  0.00  0.00    +0.061 C 
ATOM      3  C   LIG    1        0.275   0.080   0.924  0.00  0.00    +0.105 C 
ATOM      4  C   LIG    1       -0.902  -0.630   0.244  0.00  0.00    +0.131 C 
ATOM      5  N   LIG    1       -1.761  -0.984   1.350  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1       -1.123  -0.877   2.576  0.00  0.00    +0.223 C 
ATOM      7  O   LIG    1       -1.635  -1.050   3.671  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        0.924   0.358   3.373  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   3   9
ATOM      9  N   LIG    1        1.509   0.047   0.151  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        2.100  -0.769   0.230  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1        1.640   0.828  -0.980  0.00  0.00    +0.248 C 
ATOM     12  O   LIG    1        0.765   1.598  -1.369  0.00  0.00    -0.270 OA
BRANCH  11  13
ATOM     13  C   LIG    1        2.883   0.671  -1.785  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1        2.886   1.056  -3.133  0.00  0.00    +0.129 A 
ATOM     15  C   LIG    1        4.030   0.902  -3.913  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        5.194   0.379  -3.351  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        5.226   0.006  -1.999  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1        4.064   0.166  -1.219  0.00  0.00    +0.029 A 
BRANCH  17  19
ATOM     19  C   LIG    1        6.494  -0.523  -1.372  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1        7.178   0.442  -0.700  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        7.366  -1.051  -2.273  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        6.251  -1.510  -0.465  0.00  0.00    -0.166 F 
ENDBRANCH  17  19
BRANCH  14  23
ATOM     23  O   LIG    1        1.797   1.597  -3.762  0.00  0.00    -0.506 OA
ATOM     24  H   LIG    1        1.118   1.799  -3.078  0.00  0.00    +0.292 HD
ENDBRANCH  14  23
ENDBRANCH  11  13
ENDBRANCH   3   9
BRANCH   5  25
ATOM     25  C   LIG    1       -3.158  -1.337   1.183  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.012  -0.131   0.850  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1       -4.595   0.068  -0.423  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1       -5.360   1.228  -0.650  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -5.547   2.175   0.357  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -4.977   1.978   1.609  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.217   0.836   1.854  0.00  0.00    +0.006 A 
BRANCH  27  32
ATOM     32  C   LIG    1       -4.433  -0.937  -1.542  0.00  0.00    +0.418 C 
ATOM     33  F   LIG    1       -3.127  -1.179  -1.850  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -5.021  -0.560  -2.712  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -4.972  -2.149  -1.233  0.00  0.00    -0.166 F 
ENDBRANCH  27  32
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7