REMARK  Name = BDB047258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.368  -1.233  -2.062  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.612  -1.177  -1.499  0.00  0.00    +0.124 A 
ATOM      3  C   LIG    1       -3.170  -0.093  -0.825  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -4.458  -0.182  -0.287  0.00  0.00    +0.129 A 
ATOM      5  O   LIG    1       -4.904   0.938   0.360  0.00  0.00    -0.474 OA
ATOM      6  C   LIG    1       -6.117   0.818   1.124  0.00  0.00    +0.203 C 
ATOM      7  C   LIG    1       -7.153  -0.062   0.412  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -6.595  -1.448   0.133  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1       -5.761   0.330   2.534  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1       -5.213  -1.347  -0.437  0.00  0.00    -0.005 A 
ATOM     11  C   LIG    1       -4.648  -2.440  -1.102  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -3.358  -2.351  -1.629  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     13  C   LIG    1       -6.692   2.238   1.242  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1       -6.244   3.269   0.765  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.831   2.296   1.971  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -8.061   3.250   1.955  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   6  13
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.542  -0.071  -2.022  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.259   0.017  -0.727  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.076  -1.247  -0.469  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.867  -1.091   0.710  0.00  0.00    -0.490 OA
BRANCH  20  25
ATOM     21  C   LIG    1        5.830   0.272   0.588  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        5.278  -0.283   1.742  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        3.953  -0.730   1.754  0.00  0.00    +0.086 A 
ATOM     24 CL   LIG    1        3.340  -1.401   3.227  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        3.155  -0.638   0.605  0.00  0.00    +0.139 A 
ATOM     26  C   LIG    1        3.712  -0.079  -0.548  0.00  0.00    +0.051 A 
ATOM     27  C   LIG    1        5.042   0.369  -0.557  0.00  0.00    +0.049 A 
BRANCH  21  28
ATOM     28  O   LIG    1        7.132   0.661   0.715  0.00  0.00    -0.489 OA
BRANCH  28  30
ATOM     29  C   LIG    1        8.400   0.396  -1.331  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        7.761   1.377  -0.353  0.00  0.00    +0.167 C 
ATOM     31  C   LIG    1        8.836   2.256   0.282  0.00  0.00    +0.051 C 
ENDBRANCH  28  30
ENDBRANCH  21  28
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10