REMARK  Name = BDB009602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.861   1.804  -0.005  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -1.611   0.752  -0.822  0.00  0.00    +0.141 C 
ATOM      3  O   LIG    1       -2.626   1.046  -1.456  0.00  0.00    -0.297 OA
ATOM      4  C   LIG    1       -1.042  -0.665  -0.877  0.00  0.00    +0.064 C 
ATOM      5  C   LIG    1        0.488  -0.568  -0.658  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.848   0.020   0.738  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1       -0.131   1.142   1.170  0.00  0.00    +0.020 C 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        2.296   0.499   0.820  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1        2.799   1.511  -0.013  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        4.131   1.919   0.093  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        4.727   3.158  -0.942  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        4.980   1.333   1.027  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        4.494   0.331   1.863  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        3.163  -0.081   1.762  0.00  0.00    +0.004 A 
ENDBRANCH   6   8
BRANCH   5  15
ATOM     15  C   LIG    1        1.210  -1.860  -1.020  0.00  0.00    -0.004 A 
ATOM     16  S   LIG    1        1.489  -3.129   0.108  0.00  0.00    -0.081 S 
ATOM     17  C   LIG    1        2.285  -4.068  -1.048  0.00  0.00    +0.078 A 
ATOM     18 CL   LIG    1        2.905  -5.609  -0.616  0.00  0.00    -0.076 Cl
ATOM     19  C   LIG    1        2.358  -3.471  -2.277  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        1.733  -2.189  -2.262  0.00  0.00    +0.013 A 
ENDBRANCH   5  15
BRANCH   1  21
ATOM     21  C   LIG    1       -1.841   2.869   0.508  0.00  0.00    +0.131 C 
BRANCH  21  23
ATOM     22  O   LIG    1       -1.457   4.197  -1.504  0.00  0.00    -0.251 OA
ATOM     23  C   LIG    1       -2.164   3.877  -0.563  0.00  0.00    +0.305 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -3.345   4.486  -0.348  0.00  0.00    -0.481 OA
ATOM     25  H   LIG    1       -3.445   5.088  -1.116  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
BRANCH   4  26
ATOM     26  C   LIG    1       -1.782  -1.600   0.096  0.00  0.00    +0.015 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.257  -1.687  -0.175  0.00  0.00    -0.010 C 
ATOM     28  C   LIG    1       -4.235  -0.865   0.624  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -4.161  -2.351   0.831  0.00  0.00    +0.004 C 
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 7