REMARK  Name = BDB016280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.767   2.082   1.802  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        2.355   0.934   0.986  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1        1.309   0.469   0.140  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1        1.419  -0.831  -0.276  0.00  0.00    +0.151 A 
ATOM      5  C   LIG    1        2.622  -1.484  -0.594  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1        2.568  -2.830  -1.002  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.357  -3.512  -1.110  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        0.170  -2.855  -0.817  0.00  0.00    +0.014 A 
ATOM      9  N   LIG    1        3.918  -0.934  -0.571  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1        4.680  -1.552  -0.830  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        4.390   0.304  -0.277  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1        5.606   0.499  -0.370  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        0.185  -1.515  -0.410  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1        3.473   1.427   0.097  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -1.101  -0.876  -0.094  0.00  0.00    +0.053 A 
ATOM     16  N   LIG    1       -1.642   0.200  -0.772  0.00  0.00    -0.343 N 
ATOM     17  C   LIG    1       -1.063   0.850  -1.930  0.00  0.00    +0.149 C 
ATOM     18  C   LIG    1       -2.844   0.579  -0.197  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -3.093  -0.309   0.851  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -4.269  -0.161   1.614  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -5.162   0.872   1.310  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1       -4.890   1.748   0.264  0.00  0.00    +0.043 A 
ATOM     23 CL   LIG    1       -6.003   3.015  -0.090  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -3.732   1.623  -0.509  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -2.004  -1.216   0.898  0.00  0.00    +0.036 A 
ENDBRANCH  13  15
TORSDOF 1