REMARK  Name = BDB056604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.259  -0.234  -0.169  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -0.246   0.267   1.085  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1        0.926   0.438   1.748  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1        2.140   0.107   1.142  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.111  -0.399  -0.155  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1        3.413  -0.637  -0.530  0.00  0.00    -0.354 N 
ATOM      7  H   LIG    1        3.695  -1.004  -1.427  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        4.266  -0.304   0.489  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        3.505   0.161   1.539  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        0.913  -0.582  -0.846  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        5.803  -0.438   0.438  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        6.676  -0.111   1.445  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1        7.923  -0.390   0.963  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1        8.816  -0.275   1.429  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1        7.916  -0.878  -0.291  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1        6.619  -0.905  -0.609  0.00  0.00    +0.144 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.478  -0.411  -0.867  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1       -1.507  -1.344  -1.272  0.00  0.00    +0.154 HD
BRANCH  17  23
ATOM     19  C   LIG    1       -5.412   0.870   0.114  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1       -5.214  -0.285  -0.639  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1       -3.912  -0.702  -0.943  0.00  0.00    +0.066 A 
ATOM     22 CL   LIG    1       -3.722  -2.142  -1.892  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1       -2.779   0.005  -0.490  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1       -3.003   1.176   0.239  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -4.302   1.597   0.546  0.00  0.00    +0.047 A 
BRANCH  19  27
ATOM     26  C   LIG    1       -7.782   0.677   0.087  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -6.619   1.394   0.483  0.00  0.00    -0.495 OA
ENDBRANCH  19  27
ENDBRANCH  17  23
ENDBRANCH   1  17
TORSDOF 4