REMARK  Name = BDB050245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.201   0.139  -1.339  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.977   0.670   0.364  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1       -3.108  -0.273   0.930  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.833  -0.482   0.394  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.410   0.252  -0.713  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.273   1.192  -1.278  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.545   1.407  -0.743  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1       -5.365   0.865   0.925  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.334  -0.274   0.560  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -6.870  -0.040  -0.865  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1       -7.976   0.407  -1.134  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -6.003  -0.404  -1.843  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1       -5.130  -0.713  -1.529  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1       -7.362  -0.259   1.557  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -8.811  -2.079   0.762  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -7.924  -1.532   1.865  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1        0.799  -0.650  -0.693  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.121  -0.559  -1.481  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.699   0.794  -1.617  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        2.994   1.461  -0.339  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        4.103   0.773   0.478  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        5.286   0.384  -0.380  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1        5.176   0.394  -1.723  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1        3.912   0.770  -2.451  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1        6.545   0.003   0.292  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1        7.780   0.492  -0.160  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        8.971   0.144   0.486  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        8.935  -0.695   1.595  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       10.398  -1.125   2.391  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        7.721  -1.187   2.064  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        6.531  -0.836   1.417  0.00  0.00    +0.009 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11