REMARK  Name = BDB000171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.171  -0.591  -0.104  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.384  -1.698  -0.339  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.928  -1.798   0.295  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.373  -3.242   0.042  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.064  -3.992  -0.153  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.816  -2.979  -0.871  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.795   0.289   0.681  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.961  -0.830  -0.325  0.00  0.00    +0.238 C 
ATOM      9  N   LIG    1        2.990  -0.529   0.559  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        2.876  -0.848   1.512  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        1.883  -0.464  -1.495  0.00  0.00    -0.273 OA
BRANCH   9  12
ATOM     12  C   LIG    1        4.138   0.253   0.310  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        5.011   0.468   1.386  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1        6.186   1.227   1.237  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        6.492   1.784  -0.023  0.00  0.00    -0.018 A 
ATOM     16  C   LIG    1        7.664   2.543  -0.176  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        8.524   2.750   0.903  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        8.224   2.202   2.146  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.615   1.566  -1.094  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        7.063   1.446   2.313  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        4.451   0.807  -0.929  0.00  0.00    +0.024 A 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -2.510  -0.450  -0.877  0.00  0.00    +0.164 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -4.184  -0.640   0.944  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1       -3.454   0.139   0.070  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1       -3.279   1.085   0.398  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1       -4.245  -1.864   0.856  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1       -4.839   0.166   2.091  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -5.953  -0.622   2.776  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -6.372   1.528   0.725  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -5.242   1.526   1.649  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1       -5.502   2.067   2.474  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1       -2.386   0.392  -2.186  0.00  0.00    -0.011 C 
ATOM     33  C   LIG    1       -1.502  -0.341  -3.214  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -3.784   0.567  -2.819  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -1.789   1.791  -1.940  0.00  0.00    +0.013 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7