REMARK  Name = BDB047560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.720  -0.498   0.442  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.353   0.083   0.707  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.574  -0.822   1.440  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.286  -0.505   1.852  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.765   0.743   1.509  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.550   1.651   0.777  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.334  -2.080   1.726  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.851   1.331   0.378  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.438  -2.003   0.663  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.366  -0.131  -0.907  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -5.118  -0.016  -3.437  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -4.628  -0.669  -2.149  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -6.803  -0.627  -0.879  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -7.165  -1.733  -1.247  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.670   0.275  -0.364  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -7.267   1.121  -0.091  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.482   1.207   1.829  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.351   0.311   2.529  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.699   0.998   2.741  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.523   1.023   1.502  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.462   1.873   0.418  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        2.622   3.021   0.041  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.424   1.486  -0.472  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        5.029   0.410   0.124  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.524   0.097   1.303  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.120  -0.226  -0.611  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.532   0.231  -1.873  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        7.580  -0.398  -2.553  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        8.225  -1.490  -1.977  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        9.514  -2.263  -2.813  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        7.832  -1.958  -0.726  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        6.783  -1.328  -0.048  0.00  0.00    +0.014 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9