REMARK  Name = BDB021255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.279  -3.091   0.635  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        3.117  -2.065   0.272  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        2.409  -0.963   0.435  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        1.119  -1.251   0.840  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        0.149  -0.254   1.046  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.467   1.004   0.898  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        1.756   1.302   0.510  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.747   0.413   0.273  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1        1.042  -2.614   1.004  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.079   0.901  -0.153  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        4.713   1.984   0.468  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        5.965   2.392   0.026  0.00  0.00    +0.142 A 
ATOM     13  F   LIG    1        6.580   3.428   0.610  0.00  0.00    -0.204 F 
ATOM     14  C   LIG    1        6.565   1.716  -1.020  0.00  0.00    +0.149 A 
ATOM     15  N   LIG    1        5.996   0.660  -1.645  0.00  0.00    -0.260 NA
ATOM     16  C   LIG    1        4.777   0.272  -1.188  0.00  0.00    +0.119 A 
ENDBRANCH   8  10
BRANCH   1  18
ATOM     17  N   LIG    1        3.019  -5.576   0.613  0.00  0.00    -0.189 NA
ATOM     18  C   LIG    1        2.709  -4.456   0.620  0.00  0.00    +0.121 C 
ENDBRANCH   1  18
BRANCH   5  19
ATOM     19  N   LIG    1       -1.137  -0.577   1.417  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.616   0.282   1.682  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.981  -1.370   0.526  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.370  -0.804   0.468  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -3.665   0.387  -0.192  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -2.772   1.345  -0.890  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -3.826   2.196  -1.598  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -5.079   2.080  -0.885  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -4.958   0.894  -0.208  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.008   0.259   0.423  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.739  -0.940   1.083  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.437  -1.457   1.100  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -4.218  -2.611   1.747  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   5  19
TORSDOF 5