REMARK  Name = BDB063608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.890   1.867   2.377  0.00  0.00    +0.153 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.422   1.121   2.301  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1       -0.450  -0.277   2.371  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.657  -0.987   2.263  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -1.627  -2.484   2.382  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.845  -0.272   2.034  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1       -2.847   1.133   2.023  0.00  0.00    -0.008 A 
ATOM      8  C   LIG    1       -4.106   1.934   1.855  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1       -1.625   1.815   2.124  0.00  0.00    +0.012 A 
BRANCH   6  10
ATOM     10  O   LIG    1       -4.034  -0.941   1.914  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -4.421  -1.373   0.581  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -3.477  -1.027  -0.581  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -5.814  -0.789   0.307  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -4.607  -2.899   0.657  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -4.641  -3.653  -0.305  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.776  -3.347   1.929  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -4.678  -2.595   2.554  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  21
ATOM     18  N   LIG    1        2.718   1.524  -0.751  0.00  0.00    -0.246 N 
ATOM     19  C   LIG    1        2.381   1.092   0.542  0.00  0.00    +0.316 C 
ATOM     20  O   LIG    1        2.779   0.099   1.134  0.00  0.00    -0.252 OA
ATOM     21  N   LIG    1        1.499   1.996   1.074  0.00  0.00    -0.220 N 
ATOM     22  C   LIG    1        1.234   2.998   0.195  0.00  0.00    +0.241 C 
ATOM     23  O   LIG    1        0.490   3.954   0.375  0.00  0.00    -0.273 OA
ATOM     24  C   LIG    1        2.019   2.749  -1.071  0.00  0.00    +0.211 C 
BRANCH  18  28
ATOM     25  C   LIG    1        5.353  -0.341  -3.533  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        4.684   0.837  -3.857  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        3.820   1.448  -2.939  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        3.599   0.893  -1.669  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        4.277  -0.291  -1.359  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        5.146  -0.903  -2.277  0.00  0.00    +0.047 A 
BRANCH  25  32
ATOM     31  C   LIG    1        6.878  -2.027  -4.219  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        6.164  -0.833  -4.515  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  18  28
ENDBRANCH   1  21
TORSDOF 8