REMARK  Name = BDB060337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.651   0.941   0.223  0.00  0.00    +0.092 A 
ATOM      2  N   LIG    1       -2.440  -0.086   0.103  0.00  0.00    -0.166 NA
ATOM      3  N   LIG    1       -3.764   0.230  -0.054  0.00  0.00    -0.226 N 
ATOM      4  C   LIG    1       -4.293   1.507  -0.082  0.00  0.00    +0.085 A 
ATOM      5  C   LIG    1       -5.653   1.399  -0.257  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1       -5.962   0.028  -0.341  0.00  0.00    +0.055 A 
ATOM      7 CL   LIG    1       -6.794   2.654  -0.360  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -3.406   2.597   0.071  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -4.781  -0.693  -0.217  0.00  0.00    +0.129 A 
ATOM     10  C   LIG    1       -2.098   2.362   0.225  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        2.550   0.185   0.747  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1        1.589  -0.628   1.363  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        0.227  -0.373   1.184  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -0.191   0.707   0.397  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        0.761   1.518  -0.229  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        2.123   1.260  -0.048  0.00  0.00    +0.005 A 
BRANCH  11  17
ATOM     17  C   LIG    1        4.029  -0.081   0.948  0.00  0.00    +0.119 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.211  -0.235  -0.054  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        4.770  -0.251  -0.314  0.00  0.00    -0.304 NA
ATOM     20  C   LIG    1        4.402  -1.500  -0.986  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  21
ATOM     21  C   LIG    1       -4.655  -2.131  -0.256  0.00  0.00    +0.260 C 
ATOM     22  O   LIG    1       -5.606  -2.895  -0.400  0.00  0.00    -0.269 OA
ATOM     23  N   LIG    1       -3.400  -2.642  -0.132  0.00  0.00    -0.324 N 
ATOM     24  H   LIG    1       -3.272  -3.638  -0.213  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -2.595  -2.024  -0.072  0.00  0.00    +0.145 HD
ENDBRANCH   9  21
TORSDOF 4