REMARK  Name = BDB058673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.218  -3.523   1.417  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        1.839  -2.273   0.883  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        1.099  -1.213   0.170  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -0.218  -1.269  -0.056  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        2.137  -0.196  -0.139  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        1.970   0.865  -0.709  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        3.307  -0.769   0.393  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        3.110  -2.005   0.999  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.619  -0.231   0.387  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        5.676  -0.951   0.974  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        6.974  -0.441   0.978  0.00  0.00    +0.169 A 
ATOM     12  F   LIG    1        7.952  -1.160   1.547  0.00  0.00    -0.201 F 
ATOM     13  C   LIG    1        7.250   0.790   0.403  0.00  0.00    +0.188 A 
ATOM     14  C   LIG    1        6.213   1.507  -0.177  0.00  0.00    +0.169 A 
ATOM     15  F   LIG    1        6.474   2.698  -0.736  0.00  0.00    -0.201 F 
ATOM     16  C   LIG    1        4.909   1.012  -0.191  0.00  0.00    +0.067 A 
BRANCH  13  17
ATOM     17  O   LIG    1        8.522   1.286   0.409  0.00  0.00    -0.502 OA
ATOM     18  H   LIG    1        8.499   2.153  -0.036  0.00  0.00    +0.292 HD
ENDBRANCH  13  17
ENDBRANCH   7   9
BRANCH   4  19
ATOM     19  C   LIG    1       -1.006  -0.297  -0.729  0.00  0.00    +0.129 A 
ATOM     20  O   LIG    1       -2.329  -0.118  -0.387  0.00  0.00    -0.455 OA
ATOM     21  C   LIG    1       -2.876   0.853  -1.169  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1       -1.927   1.292  -2.064  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -0.747   0.556  -1.793  0.00  0.00    +0.050 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.283   1.176  -0.932  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -4.920   0.980   0.308  0.00  0.00    +0.141 A 
ATOM     26  C   LIG    1       -6.261   1.341   0.496  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1       -6.998   1.866  -0.562  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.393   2.047  -1.802  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.048   1.711  -1.983  0.00  0.00    +0.015 A 
BRANCH  25  30
ATOM     30  O   LIG    1       -4.213   0.523   1.390  0.00  0.00    -0.405 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -4.529  -0.834   1.677  0.00  0.00    +0.575 C 
ATOM     32  F   LIG    1       -3.550  -1.356   2.452  0.00  0.00    -0.133 F 
ATOM     33  F   LIG    1       -4.634  -1.595   0.565  0.00  0.00    -0.133 F 
ATOM     34  F   LIG    1       -5.688  -0.907   2.370  0.00  0.00    -0.133 F 
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   4  19
TORSDOF 6