REMARK  Name = BDB017837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.620  -2.091   0.149  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.407  -1.510   0.819  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.477  -1.660   2.206  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        0.514  -1.152   3.027  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.597  -0.491   2.434  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.683  -0.332   1.034  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.741  -2.355   2.603  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        0.658  -0.849   0.224  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -2.161  -3.000   1.273  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        2.796   0.366   0.404  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        2.789   0.728  -0.943  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.942   1.313  -1.124  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        4.671   1.938  -2.243  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        6.111   2.009  -1.671  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        5.963   1.970  -0.138  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        4.669   1.347   0.022  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        3.984   0.752   1.014  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     18  O   LIG    1       -3.958  -2.436  -1.359  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1       -3.650  -1.308  -0.995  0.00  0.00    +0.246 C 
ATOM     20  N   LIG    1       -2.545  -1.039  -0.219  0.00  0.00    -0.304 N 
ATOM     21  H   LIG    1       -2.207  -0.090  -0.129  0.00  0.00    +0.150 HD
BRANCH  19  22
ATOM     22  C   LIG    1       -4.473  -0.148  -1.411  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1       -4.474   1.076  -0.739  0.00  0.00    +0.054 A 
ATOM     24  C   LIG    1       -5.291   2.095  -1.210  0.00  0.00    +0.142 A 
ATOM     25  F   LIG    1       -5.313   3.278  -0.585  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1       -6.085   1.872  -2.322  0.00  0.00    +0.149 A 
ATOM     27  N   LIG    1       -6.118   0.695  -2.990  0.00  0.00    -0.260 NA
ATOM     28  C   LIG    1       -5.314  -0.291  -2.513  0.00  0.00    +0.124 A 
ENDBRANCH  19  22
ENDBRANCH   1  20
TORSDOF 3