REMARK  Name = BDB045646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.188   0.106   0.032  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        0.338  -0.916  -0.414  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.053  -0.790  -0.322  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.641   0.360   0.221  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -0.797   1.387   0.663  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.595   1.259   0.570  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.103   0.449   0.300  0.00  0.00    +0.139 A 
ATOM      8  N   LIG    1       -3.785   1.351   1.085  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -3.363   2.034   1.695  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -5.133   1.155   0.927  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -5.227   0.100   0.026  0.00  0.00    +0.102 A 
ATOM     12  C   LIG    1       -6.503  -0.359  -0.357  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -7.634   0.272   0.194  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -7.502   1.327   1.099  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -6.242   1.794   1.487  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1       -3.962  -0.323  -0.342  0.00  0.00    -0.227 NA
BRANCH  12  17
ATOM     17  C   LIG    1       -6.686  -1.474  -1.315  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -7.802  -1.868  -1.635  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1       -5.562  -2.050  -1.832  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -5.656  -2.808  -2.491  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -4.635  -1.719  -1.571  0.00  0.00    +0.145 HD
ENDBRANCH  12  17
ENDBRANCH   4   7
BRANCH   1  25
ATOM     22  C   LIG    1        5.474  -0.260  -0.249  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        4.867   0.064   0.963  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        3.474   0.181   1.052  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        2.651  -0.022  -0.066  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        3.271  -0.349  -1.279  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        4.664  -0.467  -1.371  0.00  0.00    +0.024 A 
BRANCH  22  30
ATOM     28  C   LIG    1        9.236  -0.458  -0.038  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1        7.856  -0.221   0.525  0.00  0.00    +0.214 C 
ATOM     30  N   LIG    1        6.867  -0.397  -0.425  0.00  0.00    -0.286 N 
ATOM     31  H   LIG    1        7.171  -0.642  -1.358  0.00  0.00    +0.155 HD
ATOM     32  O   LIG    1        7.708   0.115   1.695  0.00  0.00    -0.276 OA
ENDBRANCH  22  30
ENDBRANCH   1  25
TORSDOF 4