REMARK  Name = BDB049250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.156   2.600  -0.905  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1       -0.192   3.424  -0.313  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.117   2.966  -0.139  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.487   1.684  -0.549  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.532   0.858  -1.141  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.779   1.315  -1.321  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.569   3.099  -1.112  0.00  0.00    +0.070 C 
BRANCH   7  11
ATOM      8  C   LIG    1       -5.645   0.738   0.820  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1       -5.628   0.872  -0.568  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.630   1.631  -1.191  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.636   2.267  -0.436  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -3.663   2.134   0.957  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -4.659   1.376   1.575  0.00  0.00    +0.046 A 
BRANCH   8  14
ATOM     14  O   LIG    1       -6.558   0.042   1.559  0.00  0.00    -0.478 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -8.764   0.058   0.578  0.00  0.00    +0.064 C 
ATOM     16  C   LIG    1       -7.523  -0.772   0.891  0.00  0.00    +0.278 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -7.904  -1.916   1.829  0.00  0.00    +0.346 C 
ATOM     18  O   LIG    1       -7.493  -2.134   2.957  0.00  0.00    -0.247 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -8.785  -2.776   1.268  0.00  0.00    -0.478 OA
ATOM     20  H   LIG    1       -8.918  -3.451   1.967  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   8  14
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  O   LIG    1        2.796   1.367  -0.318  0.00  0.00    -0.486 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.224   0.053  -0.689  0.00  0.00    +0.287 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.671  -0.151  -0.399  0.00  0.00    +0.117 A 
ATOM     24  N   LIG    1        5.233  -1.413  -0.403  0.00  0.00    -0.211 NA
ATOM     25  C   LIG    1        6.507  -1.203  -0.121  0.00  0.00    +0.227 A 
ATOM     26  O   LIG    1        6.824   0.118   0.062  0.00  0.00    -0.443 OA
ATOM     27  C   LIG    1        5.648   0.776  -0.119  0.00  0.00    +0.224 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.595  -2.168   0.011  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        7.331  -3.537  -0.153  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        8.353  -4.483  -0.038  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        9.653  -4.072   0.247  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.932  -2.718   0.417  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        8.911  -1.772   0.298  0.00  0.00    +0.013 A 
ENDBRANCH  25  28
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 10