REMARK  Name = BDB001236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.293  -0.939   1.176  0.00  0.00    -0.117 S 
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -3.133   2.705  -0.524  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -2.908   1.326   0.035  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -3.996   0.468   0.290  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -3.750  -0.797   0.822  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -2.441  -1.216   1.090  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -1.359  -0.379   0.824  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.598   0.896   0.308  0.00  0.00    +0.021 A 
BRANCH   4   9
ATOM      9  O   LIG    1       -5.221   0.991  -0.013  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -6.436   0.248   0.082  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -7.485   1.123  -0.632  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -6.873   0.128   1.551  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -6.475  -1.116  -0.633  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -6.900  -2.167  -0.176  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.979  -1.084  -1.889  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.043  -2.009  -2.203  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   4   9
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.947  -1.011  -0.530  0.00  0.00    +0.151 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.343  -1.540  -0.549  0.00  0.00    +0.149 A 
ATOM     19  N   LIG    1        3.419  -0.679  -0.339  0.00  0.00    -0.222 NA
ATOM     20  C   LIG    1        4.544  -1.370  -0.391  0.00  0.00    +0.128 A 
ATOM     21  S   LIG    1        4.233  -3.032  -0.720  0.00  0.00    +0.034 S 
ATOM     22  N   LIG    1        2.582  -2.831  -0.800  0.00  0.00    -0.193 NA
BRANCH  20  23
ATOM     23  C   LIG    1        5.892  -0.814  -0.190  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        7.072  -1.550  -0.378  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        8.329  -0.965  -0.172  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        8.440   0.372   0.234  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        7.269   1.117   0.413  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        6.016   0.529   0.206  0.00  0.00    +0.011 A 
BRANCH  26  29
ATOM     29  C   LIG    1        9.796   1.006   0.432  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        9.787   2.015   1.348  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       10.287   1.546  -0.717  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       10.739   0.122   0.863  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9