REMARK  Name = BDB023401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.619   1.377   2.430  0.00  0.00    +0.078 S 
ATOM      2  O   LIG    1       -2.038   2.761   2.510  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.677   0.530   3.603  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -4.064  -1.157   0.418  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -3.309  -0.514   1.408  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -2.527   0.617   1.107  0.00  0.00    +0.150 A 
ATOM      7  C   LIG    1       -2.470   1.142  -0.190  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -3.221   0.508  -1.179  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -4.003  -0.617  -0.877  0.00  0.00    +0.008 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -4.442  -3.579  -0.166  0.00  0.00    +0.015 C 
ATOM     11  C   LIG    1       -4.928  -2.398   0.703  0.00  0.00    -0.013 C 
ATOM     12  C   LIG    1       -6.403  -2.092   0.365  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -4.885  -2.867   2.175  0.00  0.00    +0.015 C 
ENDBRANCH   4  11
BRANCH   7  14
ATOM     14  O   LIG    1       -1.664   2.225  -0.398  0.00  0.00    -0.481 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -1.633   2.858  -1.684  0.00  0.00    +0.342 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.751   3.869  -1.907  0.00  0.00    +0.424 C 
ATOM     17  F   LIG    1       -3.967   3.288  -1.953  0.00  0.00    -0.167 F 
ATOM     18  F   LIG    1       -2.769   4.817  -0.947  0.00  0.00    -0.167 F 
ATOM     19  F   LIG    1       -2.567   4.502  -3.092  0.00  0.00    -0.167 F 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   6
BRANCH   1  20
ATOM     20  N   LIG    1       -0.044   1.411   1.911  0.00  0.00    -0.179 N 
ATOM     21  H   LIG    1        0.268   2.352   1.710  0.00  0.00    +0.177 HD
ATOM     22  C   LIG    1        0.651   0.287   1.454  0.00  0.00    +0.298 C 
ATOM     23  O   LIG    1        0.162  -0.833   1.453  0.00  0.00    -0.265 OA
BRANCH  22  24
ATOM     24  C   LIG    1        1.977   0.601   0.955  0.00  0.00    +0.192 A 
ATOM     25  O   LIG    1        2.663  -0.392   0.302  0.00  0.00    -0.450 OA
ATOM     26  C   LIG    1        3.866   0.115  -0.077  0.00  0.00    +0.139 A 
ATOM     27  C   LIG    1        3.976   1.436   0.321  0.00  0.00    +0.056 A 
ATOM     28  C   LIG    1        5.159   2.112   0.005  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1        6.178   1.448  -0.687  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1        6.054   0.102  -1.076  0.00  0.00    -0.038 A 
ATOM     31  F   LIG    1        5.325   3.395   0.355  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        4.859  -0.580  -0.768  0.00  0.00    +0.051 A 
ATOM     33  C   LIG    1        2.761   1.745   0.987  0.00  0.00    +0.066 A 
BRANCH  30  34
ATOM     34  C   LIG    1        7.163  -0.591  -1.833  0.00  0.00    +0.019 C 
ATOM     35  C   LIG    1        7.742  -1.886  -1.312  0.00  0.00    +0.009 C 
ATOM     36  C   LIG    1        8.561  -0.633  -1.258  0.00  0.00    +0.009 C 
ENDBRANCH  30  34
ENDBRANCH  22  24
ENDBRANCH   1  20
TORSDOF 8