REMARK  Name = BDB051353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.489   3.008  -1.355  0.00  0.00    -0.264 OA
ATOM      2  C   LIG    1       -3.901   2.013  -0.935  0.00  0.00    +0.292 A 
ATOM      3  C   LIG    1       -4.468   0.983  -0.090  0.00  0.00    +0.204 A 
ATOM      4  N   LIG    1       -3.728  -0.097   0.331  0.00  0.00    -0.294 N 
ATOM      5  C   LIG    1       -4.548  -0.874   1.106  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1       -5.759  -0.219   1.117  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -2.379  -0.273  -0.030  0.00  0.00    +0.071 A 
ATOM      8  C   LIG    1       -1.812   0.716  -0.848  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -0.479   0.610  -1.245  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        0.293  -0.484  -0.825  0.00  0.00    -0.031 A 
ATOM     11  C   LIG    1       -0.293  -1.466  -0.005  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.627  -1.366   0.397  0.00  0.00    +0.028 A 
ATOM     13  N   LIG    1       -5.704   0.930   0.374  0.00  0.00    -0.231 NA
ATOM     14  N   LIG    1       -2.574   1.816  -1.274  0.00  0.00    -0.318 N 
ATOM     15  H   LIG    1       -2.170   2.531  -1.864  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        1.742  -0.614  -1.249  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1        2.665  -0.616  -0.112  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        2.745   0.677   0.573  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1        4.014   0.552   1.404  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1        4.853  -0.507   0.697  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1        4.040  -0.905  -0.524  0.00  0.00    +0.085 C 
ENDBRANCH  16  17
ENDBRANCH  10  16
TORSDOF 2