REMARK  Name = BDB064265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.660  -0.223   1.530  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1       -1.620  -0.393   0.559  0.00  0.00    -0.304 N 
ATOM      3  H   LIG    1       -1.392  -0.948  -0.252  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -0.840   0.325   2.608  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        5.441  -0.229   0.026  0.00  0.00    +0.243 C 
ATOM      6  N   LIG    1        4.163   0.303   0.265  0.00  0.00    -0.268 N 
ATOM      7  C   LIG    1        3.018  -0.529   0.568  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        1.788   0.053   0.965  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1        0.665  -0.781   1.175  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        0.750  -2.169   1.038  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        1.955  -2.741   0.664  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        1.642   1.547   1.108  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        2.983   2.220   1.306  0.00  0.00    +0.024 C 
ATOM     14  C   LIG    1        3.067  -1.928   0.422  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        3.940   1.753   0.230  0.00  0.00    +0.114 C 
ATOM     16  O   LIG    1        5.841  -1.333   0.389  0.00  0.00    -0.270 OA
BRANCH   5  18
ATOM     17  C   LIG    1        7.699   0.474  -0.671  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1        6.373   0.644  -0.752  0.00  0.00    +0.060 C 
ENDBRANCH   5  18
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1       -3.006  -0.038   0.786  0.00  0.00    +0.107 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.669   0.511  -0.470  0.00  0.00    -0.027 A 
ATOM     21  C   LIG    1       -4.515   1.631  -0.359  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -5.153   2.167  -1.481  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -4.956   1.587  -2.730  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -5.741   2.243  -4.113  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -4.129   0.476  -2.865  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -3.490  -0.060  -1.743  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
BRANCH  19  27
ATOM     27  C   LIG    1       -3.712  -1.218   1.414  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1       -5.113  -1.674   1.066  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -3.934  -2.531   0.695  0.00  0.00    +0.006 C 
ENDBRANCH  19  27
ENDBRANCH   2  19
TORSDOF 5