REMARK  Name = BDB051661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -7.365  -0.001  -1.572  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -6.216  -0.156  -1.181  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -5.667   0.602  -0.022  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -4.296   0.538   0.291  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -3.826   1.180   1.450  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -2.380   1.029   1.832  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -1.876  -0.342   1.375  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1       -2.029  -0.504  -0.072  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1       -1.019  -0.918  -0.945  0.00  0.00    +0.230 C 
ATOM     10  O   LIG    1       -1.237  -0.995  -2.156  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1       -4.705   1.937   2.235  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -6.054   2.027   1.894  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.347  -0.185  -0.658  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -4.085  -1.420  -1.216  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -6.540   1.352   0.774  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -5.372  -1.057  -1.782  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -5.793  -1.634  -2.501  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        0.348  -1.269  -0.315  0.00  0.00    +0.180 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.324  -1.794  -1.294  0.00  0.00    -0.294 NA
ATOM     20  C   LIG    1        1.840  -0.767  -2.214  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1        2.831   0.210  -1.574  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1        3.977  -0.540  -0.880  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1        3.421  -1.603   0.078  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1        2.427  -2.514  -0.645  0.00  0.00    +0.085 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.943   0.402  -0.186  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1        4.535   1.236   0.867  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.443   2.094   1.490  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.771   2.131   1.071  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.191   1.310   0.028  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.284   0.451  -0.597  0.00  0.00    +0.004 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 3