REMARK  Name = BDB041327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.461   1.299   1.303  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -0.897   0.136   0.633  0.00  0.00    +0.002 A 
ATOM      3  C   LIG    1        0.037  -0.899   0.410  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.425  -2.030  -0.278  0.00  0.00    +0.126 A 
ATOM      5  N   LIG    1       -1.690  -2.218  -0.721  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -2.556  -1.216  -0.494  0.00  0.00    +0.216 A 
ATOM      7  C   LIG    1        1.369  -0.740   0.865  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1        1.774   0.379   1.494  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1       -2.215  -0.045   0.162  0.00  0.00    +0.076 A 
ATOM     10  C   LIG    1        0.872   1.365   1.689  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -3.013   5.691   1.401  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -2.473   4.338   1.670  0.00  0.00    +0.061 A 
ATOM     13  N   LIG    1       -2.944   3.614   2.691  0.00  0.00    -0.176 NA
ATOM     14  N   LIG    1       -2.237   2.470   2.643  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -2.492   1.449   3.634  0.00  0.00    +0.173 C 
ATOM     16  C   LIG    1       -1.341   2.424   1.601  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1       -1.468   3.643   0.963  0.00  0.00    +0.052 A 
ENDBRANCH   1  16
BRANCH   7  18
ATOM     18  N   LIG    1        2.298  -1.784   0.662  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1        1.959  -2.599   1.167  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.683  -1.492   1.043  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.397  -0.609   0.054  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.335  -0.782  -1.327  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.542  -1.735  -2.142  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        4.224  -1.534  -3.494  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        4.856  -0.234  -3.515  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        5.033   0.059  -2.188  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        5.820   1.096  -1.731  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.921   1.273  -0.353  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        5.223   0.425   0.519  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        5.372   0.617   1.839  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   7  18
BRANCH   6  31
ATOM     31  O   LIG    1       -3.867  -1.319  -0.909  0.00  0.00    -0.474 OA
BRANCH  31  32
ATOM     32  C   LIG    1       -4.192  -2.511  -1.637  0.00  0.00    +0.169 C 
ATOM     33  C   LIG    1       -5.379  -2.165  -2.533  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -4.578  -3.626  -0.667  0.00  0.00    +0.051 C 
ENDBRANCH  31  32
ENDBRANCH   6  31
TORSDOF 6