REMARK  Name = BDB057369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.480   0.011  -0.674  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1        2.732  -0.859  -1.366  0.00  0.00    -0.204 NA
ATOM      3  C   LIG    1        1.399  -0.890  -1.131  0.00  0.00    +0.146 A 
ATOM      4  N   LIG    1        0.736  -1.898  -1.824  0.00  0.00    -0.321 N 
ATOM      5  H   LIG    1        1.416  -2.442  -2.346  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -0.328  -2.584  -1.378  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1       -1.350  -2.070  -0.553  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -1.620  -0.776  -0.125  0.00  0.00    -0.241 NA
ATOM      9  C   LIG    1       -0.686   0.120  -0.039  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1       -2.211  -3.115  -0.325  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1       -3.483  -3.207   0.422  0.00  0.00    +0.067 C 
ATOM     12  N   LIG    1       -1.672  -4.170  -1.006  0.00  0.00    -0.278 N 
ATOM     13  H   LIG    1       -2.034  -5.114  -1.081  0.00  0.00    +0.189 HD
ATOM     14  N   LIG    1       -0.534  -3.874  -1.657  0.00  0.00    -0.154 NA
ATOM     15  C   LIG    1        0.785  -0.010  -0.259  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        1.658   0.824   0.423  0.00  0.00    +0.127 A 
ATOM     17  N   LIG    1        2.993   0.859   0.237  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.200   1.478   0.339  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -2.013   1.605   1.470  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -2.502   2.861   1.820  0.00  0.00    +0.042 A 
ATOM     21 CL   LIG    1       -3.491   3.032   3.218  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -2.196   3.982   1.048  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.401   3.849  -0.092  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -0.906   2.595  -0.454  0.00  0.00    +0.010 A 
ENDBRANCH   9  18
BRANCH   1  26
ATOM     25  C   LIG    1        5.819   1.091   0.296  0.00  0.00    +0.093 C 
ATOM     26  S   LIG    1        5.220   0.008  -1.022  0.00  0.00    -0.089 S 
ENDBRANCH   1  26
TORSDOF 2