REMARK  Name = BDB061825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.449   0.752  -0.393  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.731   1.180   0.912  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        1.688   0.471   1.602  0.00  0.00    +0.068 A 
ATOM      4  N   LIG    1        2.161   0.672   2.894  0.00  0.00    -0.306 N 
ATOM      5  H   LIG    1        1.886   1.389   3.545  0.00  0.00    +0.170 HD
ATOM      6  C   LIG    1        3.149  -0.286   3.173  0.00  0.00    +0.328 A 
ATOM      7  N   LIG    1        3.259  -1.092   2.025  0.00  0.00    -0.288 N 
ATOM      8  O   LIG    1        3.774  -0.374   4.216  0.00  0.00    -0.247 OA
ATOM      9  C   LIG    1        2.368  -0.619   1.053  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        2.118  -1.047  -0.231  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        1.148  -0.345  -0.959  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1       -1.597   2.065  -0.572  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1       -1.730   1.888   0.416  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1       -0.567   1.438  -1.239  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -0.476   1.398  -2.461  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -2.713   2.638  -1.290  0.00  0.00    +0.140 C 
BRANCH  16  20
ATOM     17  C   LIG    1       -5.883  -0.282  -1.780  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -5.759   0.400  -0.569  0.00  0.00    +0.058 A 
ATOM     19  C   LIG    1       -4.736   1.354  -0.372  0.00  0.00    +0.063 A 
ATOM     20  C   LIG    1       -3.838   1.635  -1.427  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -3.963   0.927  -2.633  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -4.976  -0.017  -2.804  0.00  0.00    +0.046 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.625   2.052   0.963  0.00  0.00    +0.418 C 
ATOM     24  F   LIG    1       -3.378   1.939   1.511  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -5.481   1.574   1.908  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -4.873   3.388   0.879  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
BRANCH  17  28
ATOM     27  C   LIG    1       -7.801  -1.508  -1.085  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -6.826  -1.224  -2.080  0.00  0.00    -0.495 OA
ENDBRANCH  17  28
ENDBRANCH  16  20
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   7  29
ATOM     29  C   LIG    1        4.197  -2.173   1.867  0.00  0.00    +0.162 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.440  -1.770   1.109  0.00  0.00    -0.028 A 
ATOM     31  C   LIG    1        6.348  -0.857   1.669  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        7.497  -0.480   0.971  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.752  -1.011  -0.291  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.860  -1.920  -0.857  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        5.711  -2.300  -0.161  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 7