REMARK  Name = BDB050262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.209   1.053  -1.015  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.997   1.157   0.744  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        3.453   2.257   0.074  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.180   2.174  -0.497  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.434   0.997  -0.410  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.976  -0.105   0.249  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.250  -0.025   0.822  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        5.383   1.232   1.348  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.451   0.634   0.420  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        7.820   1.185   0.834  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        8.761   0.566   1.304  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        7.947   2.508   0.592  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        8.861   2.711   0.886  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        6.378  -0.793   0.525  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        6.894  -2.956  -0.334  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        7.019  -1.462  -0.558  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       -0.650  -0.076  -0.850  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.004   0.198  -1.534  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.764   1.361  -1.029  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -3.075   1.307   0.407  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1       -4.040   0.170   0.789  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -5.207   0.066  -0.169  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1       -5.169   0.715  -1.349  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -4.003   1.558  -1.796  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -6.369  -0.755   0.228  0.00  0.00    -0.021 A 
ATOM     26  C   LIG    1       -7.680  -0.291   0.033  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1       -8.783  -1.061   0.421  0.00  0.00    +0.060 A 
ATOM     28 CL   LIG    1      -10.358  -0.407   0.140  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1       -8.586  -2.311   1.015  0.00  0.00    +0.059 A 
ATOM     30 CL   LIG    1       -9.896  -3.318   1.518  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1       -7.288  -2.780   1.221  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1       -6.189  -2.007   0.832  0.00  0.00    +0.010 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11