REMARK  Name = BDB016171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.624   2.639   0.047  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.087   1.181  -0.048  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.923   0.325   0.114  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.077   0.745  -0.269  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.003  -1.037  -0.247  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.194  -1.805  -0.249  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.147  -3.158  -0.644  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.952  -3.783  -0.980  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.769  -3.065  -0.916  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.491  -1.375   0.103  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.241  -2.043  -0.030  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.973  -0.237   0.659  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.187  -0.161   0.870  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.769  -1.708  -0.543  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.065   0.877   1.065  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.538  -1.022  -0.485  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        1.242  -0.714  -1.656  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        2.476  -0.059  -1.596  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        3.054   0.305  -0.365  0.00  0.00    -0.017 A 
ATOM     20  C   LIG    1        2.341  -0.001   0.803  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        1.106  -0.657   0.743  0.00  0.00    +0.009 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.400   1.028  -0.350  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1        5.122   1.019   1.003  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1        4.235   2.474  -0.830  0.00  0.00    +0.046 C 
BRANCH  22  25
ATOM     25  O   LIG    1        5.283   0.368  -1.269  0.00  0.00    -0.385 OA
ATOM     26  H   LIG    1        5.157  -0.589  -1.143  0.00  0.00    +0.211 HD
ENDBRANCH  22  25
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 3