REMARK  Name = BDB057355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.479  -0.020  -0.651  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1        2.701  -0.700  -1.503  0.00  0.00    -0.204 NA
ATOM      3  C   LIG    1        1.367  -0.723  -1.279  0.00  0.00    +0.146 A 
ATOM      4  N   LIG    1        0.669  -1.541  -2.162  0.00  0.00    -0.321 N 
ATOM      5  H   LIG    1        1.329  -1.995  -2.784  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -0.427  -2.258  -1.865  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1       -1.434  -1.879  -0.952  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -1.653  -0.691  -0.268  0.00  0.00    -0.241 NA
ATOM      9  C   LIG    1       -0.684   0.131  -0.003  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1       -2.340  -2.911  -0.944  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1       -3.621  -3.100  -0.232  0.00  0.00    +0.067 C 
ATOM     12  N   LIG    1       -1.839  -3.826  -1.826  0.00  0.00    -0.278 N 
ATOM     13  H   LIG    1       -2.240  -4.719  -2.094  0.00  0.00    +0.189 HD
ATOM     14  N   LIG    1       -0.685  -3.453  -2.403  0.00  0.00    -0.154 NA
ATOM     15  C   LIG    1        0.782  -0.014  -0.246  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        1.683   0.628   0.590  0.00  0.00    +0.127 A 
ATOM     17  N   LIG    1        3.020   0.644   0.414  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.143   1.404   0.645  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -1.956   1.335   1.782  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -2.399   2.512   2.391  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.039   3.748   1.853  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -2.585   5.196   2.604  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -1.246   3.820   0.707  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.800   2.646   0.094  0.00  0.00    +0.011 A 
ENDBRANCH   9  18
BRANCH   1  26
ATOM     25  C   LIG    1        5.848   0.805   0.486  0.00  0.00    +0.093 C 
ATOM     26  S   LIG    1        5.220  -0.028  -0.993  0.00  0.00    -0.089 S 
ENDBRANCH   1  26
TORSDOF 2