REMARK  Name = BDB023407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.490   0.265   2.356  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.133   1.142   2.710  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.219  -0.548   1.466  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.276  -1.537   0.947  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.564  -0.074   1.204  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.282  -0.712   0.222  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.499  -0.114   0.141  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1        3.590   0.914   1.064  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.788   1.635   1.117  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        5.837   1.307   0.251  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        5.725   0.265  -0.689  0.00  0.00    -0.038 A 
ATOM     12  F   LIG    1        4.941   2.639   1.991  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.523  -0.470  -0.737  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1        2.345   0.936   1.747  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  C   LIG    1        6.878  -0.080  -1.602  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        7.484   0.981  -2.491  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        6.671  -0.120  -3.099  0.00  0.00    +0.009 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  S   LIG    1       -2.005  -0.099   2.940  0.00  0.00    +0.078 S 
ATOM     19  O   LIG    1       -2.402   1.086   3.675  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -1.900  -1.381   3.597  0.00  0.00    -0.150 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -3.855  -1.240   1.213  0.00  0.00    +0.147 A 
ATOM     22  C   LIG    1       -3.015  -0.165   1.488  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -2.949   0.922   0.597  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1       -3.711   0.936  -0.581  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1       -4.556  -0.152  -0.840  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -4.636  -1.222   0.055  0.00  0.00    +0.048 A 
BRANCH  24  27
ATOM     27  C   LIG    1       -3.617   2.118  -1.530  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1       -4.958   2.846  -1.657  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -3.094   1.694  -2.905  0.00  0.00    +0.012 C 
ENDBRANCH  24  27
BRANCH  21  30
ATOM     30  O   LIG    1       -4.029  -2.269   2.094  0.00  0.00    -0.490 OA
BRANCH  30  32
ATOM     31  C   LIG    1       -3.473  -4.503   2.733  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1       -3.377  -3.460   1.634  0.00  0.00    +0.226 C 
ENDBRANCH  30  32
ENDBRANCH  21  30
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 7