REMARK  Name = BDB063037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.987   4.455  -0.006  0.00  0.00    -0.291 OA
ATOM      2  C   LIG    1       -1.831   3.236   0.040  0.00  0.00    +0.177 C 
ATOM      3  C   LIG    1       -2.840   2.376   0.713  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -2.742   0.968   0.644  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -3.673   0.228   1.389  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -4.680   0.855   2.133  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -4.776   2.241   2.159  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.638   0.334  -0.224  0.00  0.00    +0.048 C 
ATOM      9  C   LIG    1       -2.114   0.336  -1.718  0.00  0.00    +0.027 C 
ATOM     10  C   LIG    1       -3.118  -0.760  -2.069  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -2.525  -2.132  -1.807  0.00  0.00    +0.000 C 
ATOM     12  C   LIG    1       -2.130  -2.277  -0.349  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1       -1.230  -1.136   0.145  0.00  0.00    +0.027 C 
ATOM     14  N   LIG    1       -0.409   1.193  -0.116  0.00  0.00    -0.280 NA
ATOM     15  C   LIG    1       -3.853   3.004   1.454  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -0.631   2.567  -0.602  0.00  0.00    +0.165 C 
ENDROOT
BRANCH  14  17
ATOM     17  C   LIG    1        0.236   1.196   1.217  0.00  0.00    +0.144 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.458   0.341   1.185  0.00  0.00    +0.097 A 
ATOM     19  N   LIG    1        1.652  -0.645   2.111  0.00  0.00    -0.133 NA
ATOM     20  N   LIG    1        2.805  -1.240   1.843  0.00  0.00    -0.060 NA
ATOM     21  N   LIG    1        3.362  -0.648   0.753  0.00  0.00    -0.217 N 
ATOM     22  C   LIG    1        2.536   0.363   0.326  0.00  0.00    +0.141 A 
BRANCH  21  23
ATOM     23  C   LIG    1        4.604  -1.090   0.236  0.00  0.00    +0.102 A 
ATOM     24  C   LIG    1        5.196  -0.489  -0.876  0.00  0.00    +0.149 A 
ATOM     25  F   LIG    1        4.625   0.540  -1.517  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1        6.421  -0.944  -1.366  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        7.071  -2.009  -0.747  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.493  -2.620   0.364  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.266  -2.165   0.856  0.00  0.00    +0.031 A 
ENDBRANCH  21  23
ENDBRANCH  17  18
ENDBRANCH  14  17
TORSDOF 3