REMARK  Name = BDB021140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.862   1.366   1.138  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -3.235   0.278   0.325  0.00  0.00    -0.038 A 
ATOM      3  C   LIG    1       -1.859   0.104   0.262  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -0.759   0.848   0.886  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1        0.405   0.241   0.496  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1        0.164  -0.808  -0.344  0.00  0.00    +0.255 C 
ATOM      7  O   LIG    1        0.960  -1.554  -0.879  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1       -0.896   1.835   1.584  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.285  -0.905  -0.493  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -2.038  -1.801  -1.226  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.425  -1.651  -1.182  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.016  -0.625  -0.416  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        1.723   0.697   0.916  0.00  0.00    +0.171 C 
ATOM     14  C   LIG    1        2.456  -0.443   1.619  0.00  0.00    +0.240 C 
ATOM     15  O   LIG    1        1.982  -1.042   2.584  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1        3.667  -0.819   1.093  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        4.125  -1.585   1.568  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        4.134  -0.574  -0.172  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        5.117  -1.171  -0.604  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        3.361   0.409  -1.015  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1        2.549   1.377  -0.174  0.00  0.00    +0.041 C 
ENDBRANCH   5  13
TORSDOF 1