REMARK  Name = BDB047563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.979   0.662  -0.846  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.594   0.293  -0.372  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -3.301  -1.039  -0.679  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.069  -1.604  -0.373  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.108  -0.809   0.254  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.398   0.534   0.548  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -4.433  -1.690  -1.408  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.638   1.096   0.228  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.595  -0.734  -1.105  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.762   1.644   0.055  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -6.471   0.078   2.022  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -5.829   1.379   1.574  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -7.147   1.921  -0.497  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -7.814   1.212  -1.230  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.634   3.111  -0.087  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -8.519   3.163  -0.504  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.146  -1.209   0.627  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.542  -2.534   0.271  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.984  -2.772   0.721  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.989  -2.024  -0.084  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.341  -2.161  -1.411  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1        2.905  -3.022  -2.523  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.321  -1.249  -1.684  0.00  0.00    -0.444 OA
ATOM     24  C   LIG    1        4.524  -0.610  -0.492  0.00  0.00    +0.199 A 
ATOM     25  N   LIG    1        3.765  -1.043   0.494  0.00  0.00    -0.218 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.557   0.467  -0.481  0.00  0.00    +0.075 C 
ATOM     27  C   LIG    1        6.645   0.166   0.559  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1        7.684   1.284   0.625  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1        7.036   2.641   0.878  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1        5.952   2.947  -0.151  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1        4.909   1.833  -0.219  0.00  0.00    +0.013 C 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9