REMARK  Name = BDB023121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.111   0.477  -0.200  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.873  -0.509  -0.195  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.170   1.439   0.190  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.466   2.599   0.431  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.181   0.911   0.270  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.176   1.761   0.691  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.346   1.070   0.688  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.131  -0.231   0.266  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.239  -1.084   0.200  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.507  -0.611   0.555  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.696   0.710   0.989  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.096  -2.354  -0.202  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.593   1.580   1.051  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.740  -0.329  -0.004  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.989   1.171   1.328  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        8.090   0.388   1.815  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.740   1.715   2.226  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.319   2.284   2.176  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.749   0.783  -0.197  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.971   1.761  -1.240  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.164   0.979   1.174  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.649  -0.757  -1.472  0.00  0.00    +0.151 A 
ATOM     23  C   LIG    1       -3.474  -0.760  -0.711  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1       -2.894  -1.985  -0.345  0.00  0.00    +0.151 A 
ATOM     25  C   LIG    1       -3.462  -3.189  -0.780  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -4.637  -3.179  -1.527  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -5.238  -1.967  -1.857  0.00  0.00    +0.048 A 
BRANCH  22  28
ATOM     28  O   LIG    1       -5.319   0.403  -1.750  0.00  0.00    -0.490 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -5.260   0.728  -3.147  0.00  0.00    +0.229 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -7.262   2.271  -3.018  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -5.781   2.150  -3.348  0.00  0.00    +0.038 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  22  28
BRANCH  24  32
ATOM     32  O   LIG    1       -1.733  -2.001   0.383  0.00  0.00    -0.490 OA
BRANCH  32  33
ATOM     33  C   LIG    1       -1.827  -2.802   1.572  0.00  0.00    +0.226 C 
ATOM     34  C   LIG    1       -0.836  -2.251   2.582  0.00  0.00    +0.048 C 
ENDBRANCH  32  33
ENDBRANCH  24  32
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 9