REMARK  Name = BDB062497
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.144   1.698  -0.808  0.00  0.00    -0.487 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.487   0.958   0.154  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1        1.828   0.667  -0.120  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        2.616  -0.098   0.759  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        2.012  -0.568   1.935  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        0.669  -0.292   2.209  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -0.093   0.466   1.320  0.00  0.00    +0.046 A 
BRANCH   4   8
ATOM      8  C   LIG    1        4.029  -0.356   0.407  0.00  0.00    +0.110 A 
ATOM      9  S   LIG    1        4.978  -1.530   1.238  0.00  0.00    -0.067 S 
ATOM     10  C   LIG    1        6.328  -1.177   0.236  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        5.966  -0.186  -0.674  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        6.925   0.263  -1.605  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        8.211  -0.286  -1.599  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        8.550  -1.275  -0.680  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.616  -1.738   0.252  0.00  0.00    +0.017 A 
ATOM     16  N   LIG    1        4.663   0.267  -0.568  0.00  0.00    -0.239 NA
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -1.389   2.318  -0.477  0.00  0.00    +0.264 C 
BRANCH  17  22
ATOM     18  C   LIG    1       -4.880  -0.159  -1.197  0.00  0.00    +0.156 A 
ATOM     19  C   LIG    1       -3.700  -0.356  -1.921  0.00  0.00    +0.165 A 
ATOM     20  F   LIG    1       -3.642  -1.312  -2.862  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -2.570   0.430  -1.703  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -2.589   1.432  -0.727  0.00  0.00    -0.007 A 
ATOM     23  C   LIG    1       -3.773   1.640  -0.004  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -4.908   0.848  -0.232  0.00  0.00    +0.049 A 
BRANCH  18  25
ATOM     25  O   LIG    1       -5.910  -1.004  -1.505  0.00  0.00    -0.478 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -7.199  -0.728  -0.981  0.00  0.00    +0.349 C 
BRANCH  26  28
ATOM     27  O   LIG    1       -6.650  -1.764   1.191  0.00  0.00    -0.247 OA
ATOM     28  C   LIG    1       -7.441  -1.224   0.437  0.00  0.00    +0.343 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -8.708  -0.988   0.846  0.00  0.00    -0.478 OA
ATOM     30  H   LIG    1       -8.736  -1.368   1.750  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 8