REMARK  Name = BDB014173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.083   1.967  -1.151  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.013   1.515  -0.467  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.046   1.524  -1.387  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.583   1.996  -2.601  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.689   2.266  -2.421  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.426   1.108  -1.142  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.346   1.518  -2.050  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.629   1.162  -1.851  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.059   0.396  -0.782  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.111  -0.042   0.140  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        2.774   0.332  -0.042  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.463  -0.849   1.292  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        5.415  -1.839   1.390  0.00  0.00    +0.166 A 
ATOM     14  N   LIG    1        5.302  -2.275   2.678  0.00  0.00    -0.253 N 
ATOM     15  H   LIG    1        5.818  -3.004   3.161  0.00  0.00    +0.191 HD
ATOM     16  N   LIG    1        4.339  -1.621   3.337  0.00  0.00    -0.067 NA
ATOM     17  N   LIG    1        3.808  -0.746   2.495  0.00  0.00    -0.129 NA
BRANCH  13  18
ATOM     18  C   LIG    1        6.375  -2.447   0.478  0.00  0.00    +0.436 C 
ATOM     19  F   LIG    1        7.426  -1.627   0.235  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        5.827  -2.766  -0.717  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        6.889  -3.593   0.996  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  22
ATOM     22  C   LIG    1       -2.419   2.141  -0.614  0.00  0.00    +0.131 C 
BRANCH  22  29
ATOM     23  F   LIG    1       -4.503  -2.308   2.307  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -3.751  -1.902   1.274  0.00  0.00    +0.127 A 
ATOM     25  C   LIG    1       -4.013  -0.666   0.668  0.00  0.00    -0.009 A 
ATOM     26  C   LIG    1       -5.190   0.139   1.158  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1       -5.246   1.560   0.605  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -4.878   1.583  -0.874  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -3.438   1.084  -1.103  0.00  0.00    +0.039 C 
ATOM     30  C   LIG    1       -3.224  -0.261  -0.426  0.00  0.00    -0.037 A 
ATOM     31  C   LIG    1       -2.208  -1.119  -0.888  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -1.959  -2.342  -0.264  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -2.731  -2.733   0.825  0.00  0.00    +0.038 A 
ENDBRANCH  22  29
ENDBRANCH   1  22
TORSDOF 5