REMARK  Name = BDB064259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.257  -0.268   0.154  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1        2.101   0.882  -0.637  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        0.836   1.385  -0.971  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -0.319   0.735  -0.536  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.196  -0.406   0.257  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.075  -0.895   0.588  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        5.830  -1.385  -0.119  0.00  0.00    +0.092 C 
ATOM      8  C   LIG    1        4.715  -0.337  -0.220  0.00  0.00    +0.117 C 
ATOM      9  N   LIG    1        3.508  -0.784   0.488  0.00  0.00    -0.329 N 
ATOM     10  C   LIG    1        3.670  -1.405   1.810  0.00  0.00    +0.105 C 
ATOM     11  C   LIG    1        5.105  -1.284   2.317  0.00  0.00    +0.020 C 
ATOM     12  C   LIG    1        6.094  -1.867   1.315  0.00  0.00    +0.016 C 
BRANCH   7  16
ATOM     13  N   LIG    1        7.674   0.238  -0.184  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1        8.554   0.543  -0.585  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        7.471   0.520   0.765  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1        7.086  -0.841  -0.774  0.00  0.00    +0.215 C 
ATOM     17  O   LIG    1        7.563  -1.319  -1.799  0.00  0.00    -0.276 OA
ENDBRANCH   7  16
ENDBRANCH   1   9
BRANCH   4  18
ATOM     18  C   LIG    1       -1.642   1.302  -0.915  0.00  0.00    +0.245 C 
ATOM     19  N   LIG    1       -2.679   0.399  -1.033  0.00  0.00    -0.304 N 
ATOM     20  H   LIG    1       -2.466  -0.588  -1.033  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1       -1.754   2.502  -1.134  0.00  0.00    -0.270 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.015   0.821  -1.438  0.00  0.00    +0.106 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.831   1.393  -0.285  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1       -5.866   2.304  -0.564  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -6.652   2.831   0.464  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -6.413   2.451   1.781  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -7.383   3.097   3.048  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -5.395   1.550   2.080  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -4.609   1.022   1.052  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
BRANCH  22  30
ATOM     30  C   LIG    1       -4.758  -0.308  -2.172  0.00  0.00    +0.055 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.193  -1.470  -1.286  0.00  0.00    +0.158 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -5.715  -2.502  -2.117  0.00  0.00    -0.395 OA
ATOM     33  H   LIG    1       -6.078  -3.188  -1.530  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  22  30
ENDBRANCH  19  22
ENDBRANCH   4  18
TORSDOF 8