REMARK  Name = BDB055635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.486   0.290   0.182  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        2.601  -0.597  -0.455  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.254  -0.673  -0.035  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        0.844   0.146   1.019  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -0.490  -0.114   1.249  0.00  0.00    -0.355 N 
ATOM      6  H   LIG    1       -1.032   0.328   1.981  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -0.958  -1.072   0.376  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        1.705   1.036   1.671  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.110  -1.427  -0.423  0.00  0.00    +0.137 A 
ATOM     10  C   LIG    1        3.033   1.095   1.234  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -2.374  -1.561   0.375  0.00  0.00    +0.155 C 
ATOM     12  C   LIG    1       -3.303  -0.730  -0.477  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1       -4.350  -0.249   0.309  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -5.365   0.531  -0.201  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -5.319   0.831  -1.564  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.273   0.348  -2.372  0.00  0.00    +0.000 A 
ATOM     17  N   LIG    1       -4.189  -0.664   1.620  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -4.803  -0.438   2.389  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1       -3.254  -0.443  -1.831  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -3.037  -1.427   1.772  0.00  0.00    +0.231 C 
ATOM     21  O   LIG    1       -2.622  -1.861   2.835  0.00  0.00    -0.274 OA
ENDBRANCH   7  11
BRANCH   1  22
ATOM     22  C   LIG    1        4.895   0.332  -0.300  0.00  0.00    +0.339 C 
ATOM     23  O   LIG    1        5.318  -0.359  -1.214  0.00  0.00    -0.245 OA
BRANCH  22  25
ATOM     24  C   LIG    1        6.986   1.326   0.004  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        5.620   1.232   0.411  0.00  0.00    -0.464 OA
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   9  26
ATOM     26  N   LIG    1        0.016  -2.438  -1.483  0.00  0.00    -0.028 NA
ATOM     27  O   LIG    1        0.879  -2.362  -2.364  0.00  0.00    -0.143 OA
ENDBRANCH   9  26
TORSDOF 4