REMARK  Name = BDB062303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.194   3.103  -0.218  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.891   2.007   0.587  0.00  0.00    +0.071 C 
ATOM      3  N   LIG    1       -1.960   0.920   0.826  0.00  0.00    -0.338 N 
ATOM      4  H   LIG    1       -1.172   1.172   1.413  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.807  -0.256   0.099  0.00  0.00    +0.084 A 
ATOM      6  C   LIG    1       -0.397  -0.652  -0.211  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -0.114  -1.921  -0.733  0.00  0.00    +0.054 A 
ATOM      8  N   LIG    1       -1.181  -2.794  -1.066  0.00  0.00    -0.308 N 
ATOM      9  C   LIG    1       -2.505  -2.401  -0.951  0.00  0.00    +0.295 A 
ATOM     10  O   LIG    1       -3.437  -3.104  -1.352  0.00  0.00    -0.264 OA
ATOM     11  C   LIG    1       -0.905  -4.102  -1.644  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1        1.223  -2.290  -0.960  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        2.274  -1.403  -0.712  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        2.019  -0.114  -0.260  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        0.684   0.242  -0.016  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -2.811  -1.084  -0.279  0.00  0.00    +0.207 A 
ATOM     17  O   LIG    1       -4.164  -0.902  -0.079  0.00  0.00    -0.482 OA
ATOM     18  C   LIG    1       -4.751   0.270   0.476  0.00  0.00    +0.172 C 
ATOM     19  C   LIG    1       -4.826   0.175   1.997  0.00  0.00    +0.052 C 
ATOM     20  C   LIG    1       -4.172   1.558  -0.100  0.00  0.00    +0.066 C 
ENDROOT
BRANCH  14  21
ATOM     21  N   LIG    1        3.033   0.824   0.015  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        2.729   1.783  -0.140  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.406   0.659   0.311  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        5.362   1.613  -0.088  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1        6.697   1.363   0.203  0.00  0.00    +0.148 A 
ATOM     26 CL   LIG    1        7.972   2.441  -0.225  0.00  0.00    -0.061 Cl
ATOM     27  N   LIG    1        7.146   0.263   0.847  0.00  0.00    -0.242 NA
ATOM     28  C   LIG    1        6.219  -0.636   1.223  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        4.864  -0.485   0.977  0.00  0.00    +0.044 A 
BRANCH  24  30
ATOM     30  C   LIG    1        4.973   2.803  -0.773  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1        4.594   3.761  -1.308  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  21  23
ENDBRANCH  14  21
TORSDOF 3