REMARK  Name = BDB047256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.470   2.473  -0.492  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.723   2.047  -0.151  0.00  0.00    +0.124 A 
ATOM      3  C   LIG    1       -3.310   0.832  -0.497  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -4.609   0.528  -0.074  0.00  0.00    +0.129 A 
ATOM      5  O   LIG    1       -5.089  -0.688  -0.478  0.00  0.00    -0.474 OA
ATOM      6  C   LIG    1       -6.480  -0.956  -0.238  0.00  0.00    +0.203 C 
ATOM      7  C   LIG    1       -6.964  -0.390   1.102  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -6.715   1.106   1.184  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1       -7.282  -0.431  -1.439  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1       -5.327   1.426   0.720  0.00  0.00    -0.005 A 
ATOM     11  C   LIG    1       -4.741   2.651   1.056  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -3.448   2.954   0.624  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     13  C   LIG    1       -6.663  -2.480  -0.174  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1       -7.634  -3.111  -0.566  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.647  -3.134   0.428  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -5.905  -4.077   0.390  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   6  13
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.655   1.634  -1.308  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.116   0.607  -0.485  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.938   1.258   0.625  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.710   0.272   1.311  0.00  0.00    -0.490 OA
BRANCH  20  25
ATOM     21  C   LIG    1        5.686  -0.645   0.224  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        5.096  -1.115   1.407  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        3.773  -0.792   1.741  0.00  0.00    +0.083 A 
ATOM     24 CL   LIG    1        3.140  -1.425   3.225  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        2.992   0.019   0.906  0.00  0.00    +0.139 A 
ATOM     26  C   LIG    1        3.563   0.485  -0.278  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        4.886   0.159  -0.609  0.00  0.00    +0.008 A 
BRANCH  21  29
ATOM     28  C   LIG    1        7.876  -1.866   0.847  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1        7.133  -0.978  -0.176  0.00  0.00    -0.013 C 
ATOM     30  C   LIG    1        7.945   0.327  -0.322  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1        7.138  -1.732  -1.524  0.00  0.00    +0.015 C 
ENDBRANCH  21  29
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9