REMARK  Name = BDB016279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.878  -0.591   2.608  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        2.397  -0.471   1.178  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1        1.333   0.085   0.412  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1        1.358  -0.205  -0.925  0.00  0.00    +0.151 A 
ATOM      5  C   LIG    1        2.516  -0.301  -1.715  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1        2.376  -0.613  -3.080  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        1.123  -0.809  -3.658  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.021  -0.690  -2.879  0.00  0.00    +0.014 A 
ATOM      9  N   LIG    1        3.846  -0.102  -1.297  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1        4.567  -0.213  -2.002  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        4.398   0.232  -0.102  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1        5.625   0.362  -0.047  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        0.081  -0.379  -1.517  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1        3.557   0.494   1.109  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -1.161  -0.285  -0.737  0.00  0.00    +0.053 A 
ATOM     16  N   LIG    1       -1.623   0.856  -0.109  0.00  0.00    -0.343 N 
ATOM     17  C   LIG    1       -0.993   2.160  -0.151  0.00  0.00    +0.149 C 
ATOM     18  C   LIG    1       -2.801   0.591   0.570  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -3.123  -0.750   0.334  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -4.301  -1.254   0.920  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -5.121  -0.454   1.713  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1       -4.773   0.874   1.935  0.00  0.00    +0.003 A 
ATOM     23 CL   LIG    1       -4.671  -2.896   0.613  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -3.613   1.418   1.370  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1       -2.093  -1.278  -0.492  0.00  0.00    +0.038 A 
ENDBRANCH  13  15
TORSDOF 1