REMARK  Name = BDB058430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.773   0.737   0.131  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.068   0.487   1.316  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.326   0.403   1.304  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -2.040   0.561   0.115  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.344   0.801  -1.070  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.054   0.886  -1.062  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.282   0.813   0.144  0.00  0.00    +0.137 C 
BRANCH   7   8
ATOM      8  N   LIG    1        2.827  -0.527   0.321  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1        2.263  -1.245  -0.128  0.00  0.00    +0.146 HD
BRANCH   8  12
ATOM     10  C   LIG    1        6.535  -0.060   0.353  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        5.164   0.245   0.373  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        4.197  -0.760   0.242  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.646  -2.085   0.166  0.00  0.00    +0.061 A 
ATOM     14  C   LIG    1        6.007  -2.383   0.171  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1        6.402  -3.660   0.094  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        6.963  -1.383   0.262  0.00  0.00    +0.053 A 
BRANCH  10  18
ATOM     17  O   LIG    1        7.303   2.027   1.185  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1        7.500   1.055   0.478  0.00  0.00    +0.337 C 
BRANCH  18  19
ATOM     19  O   LIG    1        8.589   0.910  -0.305  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        8.548   0.177  -0.947  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  10  18
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  O   LIG    1       -3.396   0.456   0.247  0.00  0.00    -0.487 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.180   0.631  -0.929  0.00  0.00    +0.264 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.634   0.491  -0.544  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1       -6.363   1.608  -0.105  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -7.701   1.475   0.266  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -8.308   0.226   0.209  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1       -9.593   0.099   0.566  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -7.600  -0.895  -0.209  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -6.261  -0.765  -0.581  0.00  0.00    +0.010 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 8