REMARK  Name = BDB060688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.495  -0.783  -0.621  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.073  -0.844  -0.691  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.232  -1.956  -1.465  0.00  0.00    +0.154 A 
ATOM      4  C   LIG    1        1.534  -2.331  -1.755  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        2.520  -1.505  -1.210  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        2.162  -0.395  -0.437  0.00  0.00    +0.075 A 
ATOM      7  O   LIG    1       -0.903  -2.582  -1.868  0.00  0.00    -0.461 OA
ATOM      8  N   LIG    1        0.882  -0.039  -0.160  0.00  0.00    -0.243 NA
ATOM      9  C   LIG    1       -1.941  -1.871  -1.350  0.00  0.00    +0.206 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.056   1.967   1.408  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -2.785   1.691   1.907  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -1.949   0.792   1.239  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.374   0.155   0.064  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -3.655   0.447  -0.430  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -4.490   1.347   0.239  0.00  0.00    +0.001 A 
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  C   LIG    1        3.185   0.472   0.133  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        2.929   1.634   0.833  0.00  0.00    +0.115 A 
ATOM     18  N   LIG    1        4.138   2.149   1.191  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1        4.329   2.998   1.714  0.00  0.00    +0.188 HD
ATOM     20  N   LIG    1        5.178   1.407   0.778  0.00  0.00    -0.182 NA
ATOM     21  C   LIG    1        4.597   0.389   0.136  0.00  0.00    +0.144 A 
ENDBRANCH   6  16
TORSDOF 2