REMARK  Name = BDB063747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.135  -0.606   0.141  0.00  0.00    +0.172 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.109  -2.065  -0.296  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -0.884  -3.071   0.659  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -0.856  -4.416   0.287  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.065  -4.776  -1.042  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.313  -3.793  -1.998  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.343  -2.447  -1.628  0.00  0.00    +0.006 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1       -0.466   0.329  -0.891  0.00  0.00    +0.188 C 
ATOM      9  O   LIG    1       -1.123   0.924  -1.752  0.00  0.00    -0.290 OA
BRANCH   8  13
ATOM     10  C   LIG    1        3.796   0.987  -0.888  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        2.941   1.810  -1.618  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        1.561   1.575  -1.605  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        1.017   0.519  -0.861  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        1.878  -0.309  -0.134  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        3.257  -0.070  -0.151  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1        5.755   2.158  -1.552  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        5.155   1.102  -0.811  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1       -2.555  -0.216   0.322  0.00  0.00    -0.330 N 
ATOM     19  H   LIG    1       -2.911   0.085  -0.589  0.00  0.00    +0.147 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.738   0.809   1.271  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -2.559   0.556   2.635  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -2.703   1.579   3.575  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.022   2.869   3.157  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.201   3.134   1.801  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.059   2.108   0.863  0.00  0.00    +0.023 A 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6