REMARK  Name = BDB062160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.362  -0.730  -0.861  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1        2.078  -0.702  -0.335  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        1.135  -1.674  -0.867  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -0.290  -1.460  -0.354  0.00  0.00    +0.042 C 
ATOM      5  C   LIG    1       -0.647   0.043  -0.215  0.00  0.00    +0.095 C 
ATOM      6  C   LIG    1        0.368   0.718   0.758  0.00  0.00    +0.042 C 
ATOM      7  C   LIG    1        1.690  -0.038   0.902  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1        3.737  -1.587  -1.658  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -2.070   0.304   0.327  0.00  0.00    -0.031 A 
ATOM     10  C   LIG    1       -2.552   1.629   0.383  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -3.836   1.913   0.850  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.666   0.881   1.275  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.209  -0.433   1.236  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -2.923  -0.721   0.767  0.00  0.00    +0.005 A 
ENDBRANCH   5   9
BRANCH   1  16
ATOM     15  C   LIG    1        5.608   0.167  -0.450  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1        4.282   0.358  -0.438  0.00  0.00    +0.060 C 
ENDBRANCH   1  16
BRANCH   5  17
ATOM     17  C   LIG    1       -0.515   0.665  -1.631  0.00  0.00    +0.315 C 
ATOM     18  O   LIG    1        0.392   1.403  -1.990  0.00  0.00    -0.250 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -1.509   0.314  -2.485  0.00  0.00    -0.480 OA
ATOM     20  H   LIG    1       -2.230  -0.198  -2.070  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH   5  17
TORSDOF 4