REMARK  Name = BDB047542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.488   1.396   0.778  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -4.409  -1.108  -0.530  0.00  0.00    +0.033 C 
ATOM      3  C   LIG    1       -3.116  -0.360  -0.301  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.413  -0.883   0.790  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -1.208  -0.335   1.211  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.684   0.746   0.500  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -1.379   1.254  -0.611  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.142  -2.042   1.390  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -2.597   0.703  -1.020  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -4.071  -2.422   0.230  0.00  0.00    +0.013 C 
BRANCH   2  11
ATOM     11  C   LIG    1       -5.651  -0.393   0.054  0.00  0.00    +0.105 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -6.226   0.962  -2.074  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -5.981   0.977  -0.570  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -6.872  -1.281  -0.071  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -7.091  -2.112  -0.936  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.773  -1.061   0.906  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -8.507  -1.677   0.700  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   2  11
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        1.258   0.909   1.881  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.529   1.749   2.000  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.545   1.390   0.972  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.628   1.762  -0.353  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        2.814   2.594  -1.255  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.738   1.170  -0.885  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        5.279   0.463   0.156  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.603   0.564   1.284  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.502  -0.287  -0.120  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        7.096  -0.296  -1.391  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        8.269  -1.024  -1.628  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1        8.932  -0.978  -3.224  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        8.861  -1.755  -0.593  0.00  0.00    +0.059 A 
ATOM     31 CL   LIG    1       10.306  -2.675  -0.813  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1        8.278  -1.753   0.675  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1        7.107  -1.024   0.908  0.00  0.00    +0.015 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9