REMARK  Name = BDB028829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.748  -0.844   0.705  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1        1.126  -1.765  -0.150  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.264  -1.899  -0.153  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.038  -1.097   0.682  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -0.434  -0.192   1.552  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.956  -0.059   1.555  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.249  -0.689   0.701  0.00  0.00    +0.035 C 
BRANCH   7   8
ATOM      8  C   LIG    1        3.697   0.413  -0.263  0.00  0.00    +0.004 C 
BRANCH   8  10
ATOM      9  C   LIG    1        5.894   0.978   0.905  0.00  0.00    +0.004 C 
ATOM     10  C   LIG    1        5.218   0.529  -0.382  0.00  0.00    -0.003 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  11
ATOM     11  O   LIG    1       -2.393  -1.273   0.661  0.00  0.00    -0.480 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -3.079  -0.135   0.136  0.00  0.00    +0.259 C 
ATOM     13  C   LIG    1       -3.936   0.551   1.208  0.00  0.00    +0.260 C 
ATOM     14  O   LIG    1       -3.667   0.554   2.407  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1       -5.045   1.230   0.753  0.00  0.00    -0.253 N 
ATOM     16  H   LIG    1       -5.603   1.683   1.464  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -5.578   1.223  -0.511  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -6.630   1.804  -0.758  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.775   0.518  -1.576  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -3.984  -0.636  -0.988  0.00  0.00    +0.063 C 
ENDBRANCH  11  12
ENDBRANCH   4  11
TORSDOF 5