REMARK  Name = BDB005611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.287   0.454   0.380  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.542   0.096   1.504  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.155  -0.056   1.409  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1        0.535   0.150   0.198  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1        2.019  -0.020   0.225  0.00  0.00    +0.048 A 
ATOM      6  N   LIG    1        2.758   0.219  -0.926  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        2.186   0.233  -1.772  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        4.118  -0.260  -1.077  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        4.875   0.008   0.219  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        4.137  -0.592   1.422  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        2.643  -0.399   1.359  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        1.885  -0.644   2.609  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        2.434  -1.013   3.644  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.226   0.499  -0.945  0.00  0.00    +0.131 A 
ATOM     15  N   LIG    1        0.538  -0.438   2.562  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        0.045  -0.604   3.429  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -1.620   0.646  -0.839  0.00  0.00    +0.051 A 
ENDROOT
BRANCH  14  18
ATOM     18  O   LIG    1        0.447   0.649  -2.136  0.00  0.00    -0.494 OA
ATOM     19  C   LIG    1       -0.272   1.177  -3.245  0.00  0.00    +0.277 C 
ENDBRANCH  14  18
BRANCH   1  20
ATOM     20  C   LIG    1       -3.786   0.623   0.464  0.00  0.00    +0.116 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -5.914  -0.246  -0.246  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1       -4.468  -0.381  -0.351  0.00  0.00    -0.315 NA
ATOM     23  H   LIG    1       -4.191  -1.309  -0.031  0.00  0.00    +0.122 HD
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 3