REMARK  Name = BDB016260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.274  -1.891   0.770  0.00  0.00    +0.064 A 
ATOM      2  N   LIG    1        0.872  -1.279   0.237  0.00  0.00    -0.245 N 
ATOM      3  C   LIG    1        1.301   0.039   0.542  0.00  0.00    +0.421 C 
ATOM      4  O   LIG    1        0.891   0.640   1.523  0.00  0.00    -0.223 OA
ATOM      5  C   LIG    1        1.504  -2.215  -0.606  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1        0.769  -3.405  -0.555  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.190  -4.521  -1.306  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        2.344  -4.440  -2.086  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.080  -3.264  -2.120  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        2.680  -2.144  -1.384  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -0.324  -3.192   0.310  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  24
ATOM     12  C   LIG    1       -2.413   0.611  -2.431  0.00  0.00    +0.052 C 
ATOM     13  C   LIG    1       -2.802   0.793  -0.966  0.00  0.00    +0.179 C 
ATOM     14  O   LIG    1       -1.758   0.201  -0.204  0.00  0.00    -0.486 OA
ATOM     15  C   LIG    1       -2.052  -0.130   1.093  0.00  0.00    +0.151 A 
ATOM     16  C   LIG    1       -2.993   0.503   1.922  0.00  0.00    +0.076 A 
ATOM     17  C   LIG    1       -3.196  -0.005   3.219  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -2.466  -1.090   3.703  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -1.507  -1.688   2.897  0.00  0.00    +0.014 A 
ATOM     20  N   LIG    1       -3.773   1.635   1.616  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1       -4.423   1.949   2.328  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -3.796   2.466   0.543  0.00  0.00    +0.221 C 
ATOM     23  O   LIG    1       -4.574   3.424   0.559  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1       -1.284  -1.212   1.599  0.00  0.00    +0.043 A 
ATOM     25  C   LIG    1       -2.867   2.261  -0.612  0.00  0.00    +0.140 C 
ENDBRANCH   1  24
BRANCH   3  26
ATOM     26  O   LIG    1        2.171   0.494  -0.392  0.00  0.00    -0.442 OA
BRANCH  26  27
ATOM     27  C   LIG    1        2.667   1.855  -0.325  0.00  0.00    +0.107 C 
ATOM     28  C   LIG    1        3.500   2.083   0.941  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        1.524   2.868  -0.452  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        3.585   1.996  -1.549  0.00  0.00    +0.055 C 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 3