REMARK  Name = BDB032133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.386  -0.918   2.780  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1       -0.551  -1.121   1.757  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.643  -0.271   1.703  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -2.757  -0.263   0.749  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -3.630   0.734   1.161  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.080   1.516   2.260  0.00  0.00    +0.146 C 
ATOM      7  O   LIG    1       -2.848  -0.997  -0.214  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.837   0.772   2.604  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -0.914   0.990   3.606  0.00  0.00    +0.047 A 
ATOM     10 CL   LIG    1       -1.108   2.274   4.730  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        0.200   0.146   3.695  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -4.744   1.231   0.360  0.00  0.00    +0.163 C 
ATOM     13  C   LIG    1       -4.245   2.103  -0.803  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -3.221   2.783  -0.751  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.079   2.184  -1.895  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.765   2.784  -2.646  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -6.325   1.631  -2.049  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -7.018   1.895  -3.027  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.827   0.764  -0.917  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -5.674   0.132  -0.153  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     21  C   LIG    1        1.609  -1.794   2.875  0.00  0.00    +0.269 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.712  -1.128   2.250  0.00  0.00    -0.445 OA
BRANCH  22  25
ATOM     23  N   LIG    1        4.046  -0.768   0.535  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        4.378  -0.099   1.216  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        2.995  -1.519   0.980  0.00  0.00    +0.405 C 
ATOM     26  O   LIG    1        2.391  -2.394   0.381  0.00  0.00    -0.226 OA
BRANCH  23  32
ATOM     27  C   LIG    1        6.774  -0.779  -4.510  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        6.064  -0.773  -3.187  0.00  0.00    -0.032 A 
ATOM     29  C   LIG    1        6.431   0.091  -2.147  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1        7.735   1.212  -2.324  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        5.747   0.074  -0.926  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        4.683  -0.809  -0.717  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1        4.313  -1.673  -1.748  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1        4.996  -1.655  -2.970  0.00  0.00    +0.006 A 
ENDBRANCH  23  32
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5