REMARK  Name = BDB042622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.635  -1.102   1.116  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.016   0.283   1.223  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.036   0.572   0.369  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        1.595  -0.345  -0.628  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        3.099  -0.129  -0.868  0.00  0.00    +0.127 C 
ATOM      6  N   LIG    1        3.479   1.272  -1.060  0.00  0.00    -0.296 N 
ATOM      7  C   LIG    1        4.722   1.698  -1.506  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1        4.925   2.881  -1.803  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1        2.420   2.265  -0.859  0.00  0.00    +0.127 C 
ATOM     10  C   LIG    1        1.570   1.939   0.375  0.00  0.00    +0.126 C 
ATOM     11  O   LIG    1       -0.430   1.107   2.041  0.00  0.00    -0.276 OA
BRANCH   7  12
ATOM     12  C   LIG    1        5.915   0.711  -1.521  0.00  0.00    +0.204 C 
ATOM     13  O   LIG    1        5.701  -0.643  -1.923  0.00  0.00    -0.367 OA
ATOM     14  C   LIG    1        6.459  -1.508  -1.065  0.00  0.00    +0.161 C 
ATOM     15  C   LIG    1        7.366  -0.627  -0.238  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1        6.566   0.646  -0.146  0.00  0.00    +0.043 C 
ENDBRANCH   7  12
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -1.893  -1.269   1.975  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1       -6.455  -2.787  -0.328  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -6.406  -1.284  -0.257  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -5.310  -0.589   0.305  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1       -5.331   0.822   0.342  0.00  0.00    +0.082 A 
ATOM     22  C   LIG    1       -4.181   1.550   0.933  0.00  0.00    +0.259 A 
ATOM     23  N   LIG    1       -3.154   0.770   1.420  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1       -2.369   1.284   1.826  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -3.114  -0.602   1.383  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1       -4.126   2.772   0.992  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.421   1.521  -0.174  0.00  0.00    +0.136 A 
ATOM     28  F   LIG    1       -6.474   2.860  -0.157  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -7.499   0.839  -0.728  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -4.140  -1.290   0.858  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -7.493  -0.554  -0.769  0.00  0.00    +0.007 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4