REMARK  Name = BDB054880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.880   0.276   1.438  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.185   0.949   0.423  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.044   1.580   0.678  0.00  0.00    -0.029 A 
ATOM      4  C   LIG    1        1.580   1.518   1.969  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        0.896   0.849   2.982  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.329   0.231   2.718  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.986  -1.002   1.904  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1       -2.112  -0.315   1.085  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -2.393  -0.192   0.116  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -2.829  -1.248   3.094  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1       -7.615  -0.768  -2.173  0.00  0.00    +0.173 C 
ATOM     12  N   LIG    1       -6.478  -0.581  -1.304  0.00  0.00    -0.265 N 
ATOM     13  C   LIG    1       -6.030  -1.454  -0.344  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -4.909  -0.839   0.223  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -4.211  -1.526   1.244  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1       -4.697  -2.776   1.679  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -5.823  -3.354   1.100  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -4.825   0.408  -0.460  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -6.507  -2.707   0.070  0.00  0.00    +0.028 A 
ATOM     20  N   LIG    1       -5.757   0.548  -1.393  0.00  0.00    -0.156 NA
BRANCH  18  21
ATOM     21  N   LIG    1       -3.917   1.372  -0.224  0.00  0.00    -0.341 N 
ATOM     22  H   LIG    1       -3.610   1.513   0.737  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1       -4.162   2.264  -0.650  0.00  0.00    +0.144 HD
ENDBRANCH  18  21
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   3  24
ATOM     24  C   LIG    1        1.796   2.278  -0.426  0.00  0.00    +0.141 C 
BRANCH  24  25
ATOM     25  N   LIG    1        2.839   1.427  -0.959  0.00  0.00    -0.295 N 
ATOM     26  H   LIG    1        2.553   0.489  -1.192  0.00  0.00    +0.151 HD
ATOM     27  C   LIG    1        4.145   1.565  -0.532  0.00  0.00    +0.304 C 
ATOM     28  N   LIG    1        4.948   0.604  -1.109  0.00  0.00    -0.269 N 
ATOM     29  H   LIG    1        4.529   0.093  -1.870  0.00  0.00    +0.156 HD
ATOM     30  O   LIG    1        4.501   2.449   0.235  0.00  0.00    -0.252 OA
BRANCH  28  31
ATOM     31  C   LIG    1        6.317   0.372  -0.869  0.00  0.00    +0.037 A 
ATOM     32  C   LIG    1        7.053   1.015   0.126  0.00  0.00    +0.061 A 
ATOM     33  C   LIG    1        8.402   0.712   0.294  0.00  0.00    +0.125 A 
ATOM     34  F   LIG    1        9.103   1.333   1.252  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1        9.038  -0.227  -0.510  0.00  0.00    +0.038 A 
ATOM     36  C   LIG    1        8.311  -0.878  -1.501  0.00  0.00    +0.005 A 
ATOM     37  C   LIG    1        6.956  -0.581  -1.678  0.00  0.00    +0.023 A 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6