REMARK  Name = BDB063226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.463  -3.869  -2.126  0.00  0.00    +0.303 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.543  -3.167  -1.504  0.00  0.00    -0.390 OA
BRANCH   2   5
ATOM      3  C   LIG    1       -3.287  -3.778   1.643  0.00  0.00    +0.070 C 
ATOM      4  C   LIG    1       -2.743  -3.134   0.387  0.00  0.00    +0.086 C 
ATOM      5  N   LIG    1       -1.908  -3.831  -0.324  0.00  0.00    -0.089 NA
BRANCH   4   6
ATOM      6  C   LIG    1       -3.220  -1.767   0.081  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -2.324  -0.736  -0.150  0.00  0.00    +0.121 A 
ATOM      8  N   LIG    1       -2.699   0.548  -0.380  0.00  0.00    -0.254 NA
ATOM      9  C   LIG    1       -4.028   0.833  -0.409  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1       -4.987  -0.159  -0.184  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1       -4.579  -1.471   0.069  0.00  0.00    +0.013 A 
BRANCH   9  12
ATOM     12  C   LIG    1       -4.378   2.245  -0.673  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.560   2.613  -1.344  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -5.880   3.956  -1.573  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.021   4.962  -1.143  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.840   4.628  -0.488  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -3.522   3.285  -0.261  0.00  0.00    +0.010 A 
ENDBRANCH   9  12
ENDBRANCH   4   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.864  -3.487  -1.474  0.00  0.00    +0.272 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.148  -2.118  -1.787  0.00  0.00    -0.489 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.265  -1.568  -1.223  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        2.426  -0.202  -1.459  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        3.527   0.488  -0.946  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        4.491  -0.186  -0.190  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        4.326  -1.557   0.048  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        3.221  -2.244  -0.467  0.00  0.00    +0.046 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.684   0.548   0.382  0.00  0.00    +0.059 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.398   1.105   1.779  0.00  0.00    +0.146 C 
ATOM     28  C   LIG    1        4.986   2.567   1.739  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1        4.168   3.058   0.974  0.00  0.00    -0.274 OA
ATOM     30  N   LIG    1        5.649   3.310   2.669  0.00  0.00    -0.246 N 
ATOM     31  H   LIG    1        5.509   4.308   2.706  0.00  0.00    +0.158 HD
ATOM     32  C   LIG    1        6.763   2.782   3.225  0.00  0.00    +0.279 C 
ATOM     33  O   LIG    1        7.588   3.396   3.879  0.00  0.00    -0.263 OA
ATOM     34  S   LIG    1        6.905   1.092   2.820  0.00  0.00    -0.054 S 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9