REMARK  Name = BDB007788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.137  -1.696   1.461  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.238  -0.687   0.772  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        1.181   0.157   0.510  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        1.263   0.834  -0.238  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        3.541  -0.334   0.142  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        4.458  -1.364  -0.106  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        5.701  -1.093  -0.698  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        6.031   0.240  -1.038  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1        7.274   0.510  -1.630  0.00  0.00    +0.054 A 
ATOM     10  C   LIG    1        8.171  -0.524  -1.880  0.00  0.00    +0.117 A 
ATOM     11  C   LIG    1        7.859  -1.836  -1.550  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        5.112   1.267  -0.769  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        6.625  -2.119  -0.960  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.876   0.985  -0.179  0.00  0.00    +0.013 A 
BRANCH  10  15
ATOM     15  O   LIG    1        9.364  -0.202  -2.458  0.00  0.00    -0.507 OA
ATOM     16  H   LIG    1        9.887  -1.013  -2.564  0.00  0.00    +0.292 HD
ENDBRANCH  10  15
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1       -0.162  -0.160   0.976  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.121   1.022   0.763  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -0.536   2.226   1.291  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -0.030   1.975   2.085  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.491   0.795   1.440  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.187  -0.433   1.021  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -3.738  -0.349  -0.346  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.004   0.471  -0.479  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -5.839   0.696   0.631  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -7.024   1.427   0.474  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -7.392   1.912  -0.781  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.577   1.675  -1.885  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.430   0.211   2.000  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -5.391   0.956  -1.737  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.272  -0.798   1.949  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7