REMARK  Name = BDB041337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.295   0.268   0.748  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -2.011  -0.480  -0.398  0.00  0.00    +0.063 A 
ATOM      3  C   LIG    1       -0.683  -0.813  -0.719  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -0.435  -1.558  -1.963  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.451  -1.950  -2.743  0.00  0.00    +0.071 A 
ATOM      6  C   LIG    1       -2.853  -1.647  -2.384  0.00  0.00    +0.249 A 
ATOM      7  O   LIG    1       -3.779  -2.028  -3.091  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        0.341  -0.405   0.157  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1        0.073   0.321   1.264  0.00  0.00    -0.239 NA
ATOM     10  N   LIG    1       -3.050  -0.918  -1.245  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1       -4.017  -0.733  -1.004  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -1.216   0.632   1.538  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1       -6.912   0.812   2.794  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -5.672   0.938   1.992  0.00  0.00    +0.061 A 
ATOM     15  N   LIG    1       -5.592   1.845   1.013  0.00  0.00    -0.176 NA
ATOM     16  N   LIG    1       -4.352   1.689   0.514  0.00  0.00    -0.266 N 
ATOM     17  C   LIG    1       -3.924   2.549  -0.566  0.00  0.00    +0.173 C 
ATOM     18  C   LIG    1       -3.644   0.677   1.118  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1       -4.481   0.187   2.100  0.00  0.00    +0.052 A 
ENDBRANCH   1  18
BRANCH   8  20
ATOM     20  N   LIG    1        1.681  -0.726  -0.136  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        1.748  -1.732  -0.273  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.646  -0.286   0.867  0.00  0.00    +0.141 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.029  -0.642   0.398  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.667   0.052  -0.626  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.223   1.241  -1.393  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.275   1.225  -2.501  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.440   0.503  -2.038  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        5.949  -0.291  -1.035  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.653  -1.329  -0.458  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        6.027  -2.052   0.557  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.732  -1.709   0.971  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        4.164  -2.432   1.947  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 4