REMARK  Name = BDB045585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.784  -0.231  -2.328  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -0.942  -0.522  -1.237  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -0.795  -1.844  -0.829  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        0.067  -1.781   0.237  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        0.372  -2.565   0.794  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        0.422  -0.467   0.444  0.00  0.00    +0.140 A 
ATOM      7  C   LIG    1       -1.442  -2.918  -1.445  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -2.272  -2.616  -2.529  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -0.181   0.307  -0.434  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -2.443  -1.300  -2.965  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.328  -0.020   1.504  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        1.124   1.199   2.187  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1        2.046   1.589   3.180  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.144   0.791   3.499  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.344  -0.408   2.826  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        2.446  -0.809   1.836  0.00  0.00    +0.012 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -0.060   2.098   1.896  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -0.187   3.103   2.817  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        0.017   2.736   0.695  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -1.257   1.449   1.929  0.00  0.00    -0.166 F 
ENDBRANCH  12  17
ENDBRANCH   6  11
BRANCH   1  24
ATOM     21  N   LIG    1       -1.355   2.161  -2.161  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -0.771   1.983  -1.345  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -1.505   3.114  -2.457  0.00  0.00    +0.145 HD
ATOM     24  C   LIG    1       -1.996   1.151  -2.818  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1       -2.723   1.383  -3.777  0.00  0.00    -0.270 OA
ENDBRANCH   1  24
TORSDOF 3