REMARK  Name = BDB011613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.625  -1.838  -1.935  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.231  -1.034  -1.214  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.182  -0.241  -0.731  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.274  -2.629  -2.802  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.597  -0.997  -1.223  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.286   0.177  -0.606  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -1.663   1.052  -0.023  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -3.654   0.011  -0.791  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -3.857  -1.266  -1.413  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -4.830  -1.253  -2.515  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -2.579  -1.811  -1.640  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.461  -3.185  -2.217  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.700   0.506   0.116  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -4.639  -0.122   1.518  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -3.744   0.619   2.505  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -4.087   2.101   2.566  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -3.990   2.760   1.197  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -4.822   2.039   0.139  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        2.065  -1.105   0.937  0.00  0.00    +0.068 C 
ATOM     20  C   LIG    1        2.634  -1.227  -0.428  0.00  0.00    +0.074 A 
ATOM     21  N   LIG    1        3.982  -1.109  -0.746  0.00  0.00    -0.216 N 
ATOM     22  N   LIG    1        4.193  -1.625  -1.981  0.00  0.00    -0.060 NA
ATOM     23  N   LIG    1        3.022  -1.872  -2.542  0.00  0.00    -0.124 NA
ATOM     24  C   LIG    1        2.039  -1.617  -1.624  0.00  0.00    +0.170 A 
BRANCH  21  25
ATOM     25  C   LIG    1        5.082  -0.636   0.017  0.00  0.00    +0.071 A 
ATOM     26  C   LIG    1        5.004   0.511   0.842  0.00  0.00    -0.017 A 
ATOM     27  C   LIG    1        6.152   0.822   1.607  0.00  0.00    +0.026 A 
ATOM     28  C   LIG    1        7.331   0.082   1.512  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        8.697   0.523   2.458  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        7.411  -0.995   0.642  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        6.294  -1.350  -0.110  0.00  0.00    +0.029 A 
BRANCH  26  32
ATOM     32  C   LIG    1        3.835   1.477   0.909  0.00  0.00    +0.021 C 
ATOM     33  C   LIG    1        3.224   2.060  -0.346  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        4.061   2.929   0.536  0.00  0.00    +0.009 C 
ENDBRANCH  26  32
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5