REMARK  Name = BDB037265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.343  -0.841   0.372  0.00  0.00    +0.274 C 
ATOM      2  N   LIG    1       -2.058  -1.762  -0.342  0.00  0.00    -0.219 N 
ATOM      3  H   LIG    1       -1.728  -2.158  -1.205  0.00  0.00    +0.166 HD
ATOM      4  O   LIG    1       -1.817  -0.104   1.229  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        1.945   0.620  -0.269  0.00  0.00    +0.220 A 
ATOM      6  C   LIG    1        2.753  -0.446  -0.654  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        2.174  -1.721  -0.676  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        0.833  -1.881  -0.339  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        0.106  -0.748   0.008  0.00  0.00    +0.130 A 
ATOM     10  N   LIG    1        0.640   0.497   0.047  0.00  0.00    -0.208 NA
BRANCH   5  12
ATOM     11  C   LIG    1        1.650   2.883   0.268  0.00  0.00    +0.279 C 
ATOM     12  O   LIG    1        2.526   1.872  -0.225  0.00  0.00    -0.479 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        4.208  -0.261  -0.986  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.052  -0.590   0.153  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.558  -1.836   0.281  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.274  -1.770   1.407  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.239  -0.491   1.992  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.445   0.254   1.154  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -3.717  -1.870  -0.206  0.00  0.00    +0.156 S 
ATOM     20  O   LIG    1       -3.937  -2.487   1.083  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -4.069  -2.548  -1.538  0.00  0.00    -0.233 NA
ATOM     22  H   LIG    1       -5.072  -2.734  -1.585  0.00  0.00    +0.199 HD
BRANCH  19  23
ATOM     23  C   LIG    1       -4.483  -0.290  -0.215  0.00  0.00    +0.100 A 
ATOM     24  C   LIG    1       -4.039   0.681  -1.103  0.00  0.00    +0.141 A 
ATOM     25  F   LIG    1       -3.041   0.431  -1.963  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1       -4.635   1.939  -1.120  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1       -5.679   2.223  -0.239  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -6.123   1.249   0.658  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.525  -0.013   0.674  0.00  0.00    +0.022 A 
ENDBRANCH  19  23
ENDBRANCH   2  19
TORSDOF 6