REMARK  Name = BDB031111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.401   0.391   0.691  0.00  0.00    +0.014 A 
ATOM      2  C   LIG    1        3.366   1.520   0.885  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1        3.245   2.653   0.148  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        2.196   2.822  -0.790  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        1.279   1.792  -0.903  0.00  0.00    -0.298 N 
ATOM      6  C   LIG    1        0.341   2.192  -1.839  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1        0.781   3.433  -2.260  0.00  0.00    +0.141 A 
ATOM      8  N   LIG    1        1.923   3.814  -1.608  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1        1.392   0.599  -0.189  0.00  0.00    +0.100 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -0.819   1.421  -2.242  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1       -1.615   1.024  -1.221  0.00  0.00    -0.231 NA
ATOM     12  C   LIG    1       -2.715   0.315  -1.530  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -3.037  -0.037  -2.835  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -2.205   0.378  -3.872  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -1.076   1.129  -3.574  0.00  0.00    +0.030 A 
BRANCH  12  16
ATOM     16  N   LIG    1       -3.536  -0.032  -0.454  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.136   0.478   0.335  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.559  -1.486  -0.174  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1       -2.343  -1.939   0.638  0.00  0.00    +0.201 C 
ATOM     20  F   LIG    1       -2.062  -3.237   0.326  0.00  0.00    -0.242 F 
ATOM     21  C   LIG    1       -2.784  -1.862   2.101  0.00  0.00    +0.119 C 
ATOM     22  N   LIG    1       -4.206  -1.467   2.130  0.00  0.00    -0.311 NA
ATOM     23  H   LIG    1       -4.267  -0.452   2.234  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -4.709  -1.810   0.788  0.00  0.00    +0.106 C 
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   6  10
BRANCH   1  26
ATOM     25  C   LIG    1        2.043  -2.161   0.606  0.00  0.00    +0.056 C 
ATOM     26  C   LIG    1        2.527  -0.954   1.440  0.00  0.00    +0.184 C 
BRANCH  26  27
ATOM     27  C   LIG    1        1.722  -0.934   2.773  0.00  0.00    +0.422 C 
ATOM     28  F   LIG    1        0.387  -0.875   2.555  0.00  0.00    -0.167 F 
ATOM     29  F   LIG    1        1.963  -2.069   3.478  0.00  0.00    -0.167 F 
ATOM     30  F   LIG    1        2.056   0.104   3.569  0.00  0.00    -0.167 F 
ENDBRANCH  26  27
BRANCH  26  31
ATOM     31  O   LIG    1        3.928  -1.241   1.662  0.00  0.00    -0.376 OA
ATOM     32  H   LIG    1        3.982  -1.992   2.283  0.00  0.00    +0.211 HD
ENDBRANCH  26  31
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1        4.483   1.409   1.907  0.00  0.00    +0.191 C 
BRANCH  33  34
ATOM     34  O   LIG    1        4.984   2.689   2.291  0.00  0.00    -0.390 OA
ATOM     35  H   LIG    1        4.257   3.145   2.750  0.00  0.00    +0.210 HD
ENDBRANCH  33  34
ENDBRANCH   2  33
TORSDOF 8