REMARK  Name = BDB037229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.386   1.163  -0.753  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        0.973   1.950   0.254  0.00  0.00    -0.180 N 
ATOM      3  H   LIG    1        0.496   2.131   1.131  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        1.026   0.638  -1.649  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.922  -0.392  -0.934  0.00  0.00    +0.220 A 
ATOM      6  C   LIG    1       -3.803   0.549  -0.405  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -3.263   1.773   0.014  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -1.894   2.003  -0.095  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -1.099   0.999  -0.635  0.00  0.00    +0.131 A 
ATOM     10  N   LIG    1       -1.593  -0.188  -1.061  0.00  0.00    -0.208 NA
BRANCH   5  12
ATOM     11  C   LIG    1       -2.469  -2.527  -1.795  0.00  0.00    +0.279 C 
ATOM     12  O   LIG    1       -3.453  -1.583  -1.382  0.00  0.00    -0.479 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -5.279   0.272  -0.286  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -5.713   0.251   1.107  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -5.360  -0.768   1.916  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -5.939  -0.467   3.080  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -6.660   0.739   3.023  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.499   1.181   1.731  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1        2.579   2.383   0.310  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        2.785   2.815   1.680  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.823   3.293  -0.785  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.459   0.867   0.127  0.00  0.00    +0.151 A 
ATOM     23  C   LIG    1        4.299   0.619  -0.938  0.00  0.00    +0.150 A 
ATOM     24  O   LIG    1        4.566   1.460  -1.984  0.00  0.00    -0.489 OA
ATOM     25  C   LIG    1        5.688   0.854  -2.663  0.00  0.00    +0.234 C 
ATOM     26  C   LIG    1        5.726  -0.631  -2.320  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        4.969  -0.595  -1.045  0.00  0.00    -0.000 A 
ATOM     28  C   LIG    1        4.830  -1.591  -0.090  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1        4.000  -1.354   1.018  0.00  0.00    +0.057 A 
ATOM     30  C   LIG    1        3.326  -0.117   1.124  0.00  0.00    +0.045 A 
BRANCH  29  31
ATOM     31  C   LIG    1        3.852  -2.401   2.097  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        3.908  -3.674   1.617  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        4.830  -2.311   3.039  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        2.672  -2.308   2.771  0.00  0.00    -0.166 F 
ENDBRANCH  29  31
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7