REMARK  Name = BDB023362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.794   0.925   0.898  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.369   1.695   1.397  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.051  -0.051   0.223  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.582  -0.929  -0.439  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.383   0.137   0.337  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.190  -0.651  -0.446  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.480  -0.314  -0.186  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1        3.529   0.694   0.762  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.790   1.164   1.144  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        5.942   0.614   0.571  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        5.875  -0.416  -0.385  0.00  0.00    -0.038 A 
ATOM     12  F   LIG    1        4.907   2.143   2.053  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.606  -0.886  -0.779  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1        2.179   0.980   1.098  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  C   LIG    1        7.132  -0.985  -1.000  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        8.224  -1.542  -0.115  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        7.394  -2.473  -0.944  0.00  0.00    +0.009 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  S   LIG    1       -2.399   0.732   1.313  0.00  0.00    +0.077 S 
ATOM     19  O   LIG    1       -2.511  -0.598   1.867  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -2.674   1.916   2.105  0.00  0.00    -0.150 OA
BRANCH  18  30
ATOM     21  C   LIG    1       -7.169  -0.847   2.183  0.00  0.00    +0.065 C 
ATOM     22  C   LIG    1       -6.564  -0.344   0.908  0.00  0.00    +0.039 A 
ATOM     23  N   LIG    1       -5.266   0.036   0.948  0.00  0.00    -0.250 NA
ATOM     24  C   LIG    1       -4.654   0.486  -0.170  0.00  0.00    +0.098 A 
ATOM     25  C   LIG    1       -5.372   0.593  -1.383  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.759   1.091  -2.545  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -3.432   1.501  -2.524  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -2.706   1.403  -1.344  0.00  0.00    +0.031 A 
ATOM     29  C   LIG    1       -6.715   0.199  -1.404  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1       -3.315   0.883  -0.189  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1       -7.320  -0.277  -0.249  0.00  0.00    +0.023 A 
ENDBRANCH  18  30
ENDBRANCH   1  18
TORSDOF 4