REMARK  Name = BDB028186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.119   0.750   0.667  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.897   0.114  -0.062  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.238   0.270   0.313  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.557   1.060   1.414  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.968   1.218   1.800  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.885   0.555   1.022  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.864   0.653   1.273  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.607  -0.224  -0.058  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        4.295   1.904   2.762  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        1.551   1.699   2.147  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.362  -0.374  -0.412  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.216   1.543   1.772  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1       -4.759   1.935  -0.606  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -3.585   1.152  -0.304  0.00  0.00    -0.334 N 
ATOM     15  C   LIG    1       -3.531  -0.216  -0.373  0.00  0.00    +0.141 A 
ATOM     16  C   LIG    1       -2.244  -0.609  -0.014  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -1.975  -1.990  -0.003  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -3.006  -2.859  -0.360  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -4.242  -2.329  -0.704  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1       -1.508   0.583   0.273  0.00  0.00    +0.009 A 
ATOM     21  N   LIG    1       -4.558  -1.016  -0.727  0.00  0.00    -0.237 NA
ATOM     22  C   LIG    1       -2.368   1.651   0.086  0.00  0.00    +0.096 A 
ENDBRANCH   1  20
BRANCH  11  23
ATOM     23  C   LIG    1        3.038  -1.251  -1.626  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.260  -1.820  -2.207  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1        4.759  -2.308  -1.458  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1        4.886  -1.041  -2.428  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  11  23
TORSDOF 3