REMARK  Name = BDB031094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.667   0.636   1.190  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1        0.551   0.784   0.639  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        1.362   1.748   1.132  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        0.991   2.585   2.176  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -0.261   2.409   2.750  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.101   1.418   2.253  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.651   1.877   0.468  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        3.425   0.837  -0.028  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1        4.565   1.418  -0.585  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        5.527   0.549  -1.172  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        5.327  -0.782  -1.160  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        4.136  -1.376  -0.553  0.00  0.00    +0.034 A 
ATOM     13  N   LIG    1        4.562   2.726  -0.456  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1        3.224  -0.549  -0.005  0.00  0.00    +0.102 A 
ATOM     15  C   LIG    1        3.391   3.015   0.188  0.00  0.00    +0.141 A 
BRANCH  12  16
ATOM     16  C   LIG    1        4.002  -2.871  -0.577  0.00  0.00    +0.373 C 
ATOM     17  F   LIG    1        4.043  -3.342  -1.852  0.00  0.00    -0.204 F 
ATOM     18  F   LIG    1        5.039  -3.461   0.078  0.00  0.00    -0.204 F 
ENDBRANCH  12  16
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1       -1.452  -0.378   0.642  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -0.865  -0.776  -0.091  0.00  0.00    +0.148 HD
BRANCH  19  23
ATOM     21  C   LIG    1       -2.849  -2.261  -1.039  0.00  0.00    +0.014 C 
ATOM     22  C   LIG    1       -3.627  -1.119  -0.352  0.00  0.00    -0.003 C 
ATOM     23  C   LIG    1       -2.737   0.064   0.089  0.00  0.00    +0.092 C 
ATOM     24  C   LIG    1       -2.603   0.913  -1.196  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1       -3.631   0.436  -2.134  0.00  0.00    -0.314 NA
ATOM     26  H   LIG    1       -4.126   1.215  -2.565  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -4.541  -0.410  -1.361  0.00  0.00    +0.089 C 
ATOM     28  C   LIG    1       -4.430  -1.698   0.817  0.00  0.00    +0.014 C 
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 4