REMARK  Name = BDB028824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.189   2.510   0.447  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        0.772   1.139   0.193  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1        1.755   0.108   0.106  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1        1.339  -1.209  -0.137  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        2.279  -2.244  -0.227  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        3.638  -1.975  -0.078  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.061  -0.672   0.163  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.081  -1.502  -0.293  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -1.005  -0.531  -0.223  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        3.127   0.364   0.254  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -0.586   0.882   0.040  0.00  0.00    +0.256 A 
ATOM     12  O   LIG    1       -1.450   1.756   0.107  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -2.473  -0.819  -0.359  0.00  0.00    +0.177 C 
ATOM     14  C   LIG    1       -3.319  -0.210   0.748  0.00  0.00    +0.238 C 
ATOM     15  O   LIG    1       -3.168  -0.421   1.946  0.00  0.00    -0.274 OA
ATOM     16  N   LIG    1       -4.305   0.587   0.245  0.00  0.00    -0.246 N 
ATOM     17  H   LIG    1       -4.912   1.105   0.858  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.362   0.781  -1.093  0.00  0.00    +0.279 C 
ATOM     19  O   LIG    1       -5.156   1.506  -1.669  0.00  0.00    -0.263 OA
ATOM     20  S   LIG    1       -3.161  -0.185  -1.917  0.00  0.00    -0.050 S 
ENDBRANCH   9  13
TORSDOF 1