REMARK  Name = BDB051668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.796   2.398  -1.567  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.796   1.875  -1.092  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.808   0.477  -0.575  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.605  -0.158  -0.214  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -2.653  -1.418   0.409  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -1.377  -2.034   0.919  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -0.397  -0.923   1.301  0.00  0.00    +0.114 C 
ATOM      8  N   LIG    1       -0.116  -0.072   0.141  0.00  0.00    -0.276 N 
ATOM      9  C   LIG    1        1.145   0.294  -0.326  0.00  0.00    +0.307 C 
ATOM     10  N   LIG    1        2.193  -0.408   0.221  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        1.981  -1.347   0.514  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        1.270   1.172  -1.176  0.00  0.00    -0.252 OA
ATOM     13  C   LIG    1       -3.881  -2.070   0.569  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -5.064  -1.455   0.156  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -1.282   0.529  -0.532  0.00  0.00    +0.126 C 
ATOM     16  C   LIG    1       -1.463   2.037  -0.262  0.00  0.00    +0.131 C 
ATOM     17  C   LIG    1       -5.032  -0.177  -0.401  0.00  0.00    +0.013 A 
ATOM     18  N   LIG    1       -2.610   2.561  -0.985  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1       -2.645   3.538  -1.250  0.00  0.00    +0.149 HD
ENDROOT
BRANCH  10  20
ATOM     20  C   LIG    1        3.569  -0.118   0.093  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        4.064   1.105  -0.365  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        5.442   1.325  -0.446  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        6.336   0.329  -0.063  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.853  -0.890   0.406  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        4.476  -1.111   0.487  0.00  0.00    +0.023 A 
ENDBRANCH  10  20
TORSDOF 1