REMARK  Name = BDB049758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1 CL   LIG    1       -0.958  -0.832   2.568  0.00  0.00    -0.083 Cl
ATOM      2  C   LIG    1       -0.494  -0.219   1.015  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -1.433   0.137   0.038  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -0.958   0.559  -1.212  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.415   0.651  -1.464  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        1.361   0.314  -0.485  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        0.882  -0.122   0.753  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.883   0.068   0.234  0.00  0.00    +0.111 A 
ATOM      9  S   LIG    1       -3.656   1.113   1.360  0.00  0.00    -0.067 S 
ATOM     10  C   LIG    1       -5.185   0.457   0.923  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -5.000  -0.493  -0.083  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1       -6.129  -1.157  -0.603  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -7.403  -0.860  -0.107  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -7.563   0.090   0.897  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.460   0.765   1.428  0.00  0.00    +0.017 A 
ATOM     16  N   LIG    1       -3.689  -0.687  -0.483  0.00  0.00    -0.239 NA
ENDBRANCH   3   8
BRANCH   6  17
ATOM     17  N   LIG    1        2.723   0.445  -0.801  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1        2.913   0.706  -1.761  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.898   0.262  -0.057  0.00  0.00    +0.141 A 
ATOM     20  C   LIG    1        5.161   0.428  -0.651  0.00  0.00    +0.078 A 
ATOM     21  C   LIG    1        6.310   0.245   0.112  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1        7.500   0.451  -0.646  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1        7.240   0.783  -1.956  0.00  0.00    +0.048 A 
ATOM     24  N   LIG    1        6.274  -0.089   1.423  0.00  0.00    -0.235 NA
ATOM     25  C   LIG    1        5.039  -0.225   1.911  0.00  0.00    +0.224 A 
ATOM     26  S   LIG    1        5.564   0.847  -2.276  0.00  0.00    -0.092 S 
ATOM     27  N   LIG    1        3.880  -0.070   1.255  0.00  0.00    -0.219 NA
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 3