REMARK  Name = BDB049760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.049  -0.098   0.381  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1       -0.166  -0.093  -0.702  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.220  -0.065  -0.499  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        1.771  -0.064   0.792  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        0.880  -0.102   1.874  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.508  -0.130   1.670  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.243  -0.029   0.938  0.00  0.00    +0.109 A 
ATOM      8  S   LIG    1        4.015  -0.144   2.475  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1        5.559  -0.031   1.730  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        5.387   0.086   0.352  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        6.529   0.193  -0.467  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        7.803   0.180   0.109  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        7.951   0.062   1.488  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.834  -0.046   2.322  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1        4.073   0.085  -0.081  0.00  0.00    -0.239 NA
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  N   LIG    1       -2.448  -0.171   0.205  0.00  0.00    -0.314 N 
ATOM     17  H   LIG    1       -2.947  -0.082   1.088  0.00  0.00    +0.152 HD
BRANCH  16  23
ATOM     18 CL   LIG    1       -8.423  -1.920  -2.523  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -6.915  -1.265  -2.015  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1       -6.457  -0.070  -2.565  0.00  0.00    +0.048 A 
ATOM     21  C   LIG    1       -5.246   0.484  -2.178  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1       -4.467  -0.179  -1.201  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -3.232   0.412  -0.831  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1       -2.858   1.620  -1.421  0.00  0.00    +0.043 A 
ATOM     25  C   LIG    1       -3.692   2.179  -2.367  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1       -4.941  -1.395  -0.657  0.00  0.00    +0.013 A 
ATOM     27  N   LIG    1       -4.865   1.637  -2.750  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1       -6.161  -1.934  -1.061  0.00  0.00    +0.021 A 
ENDBRANCH  16  23
ENDBRANCH   1  16
TORSDOF 3