REMARK  Name = BDB059259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.101  -0.881   0.484  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.381  -1.068  -0.011  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.549  -0.890  -1.005  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.106  -0.549   1.649  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.340  -0.587  -1.046  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -2.251  -0.449  -0.174  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -1.022  -1.058  -0.477  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -0.888  -1.822  -1.643  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.971  -1.959  -2.512  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.189  -1.343  -2.219  0.00  0.00    +0.028 A 
BRANCH   5  14
ATOM     11  C   LIG    1       -7.091   2.006   1.060  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -6.261   1.171   0.165  0.00  0.00    -0.013 A 
ATOM     13  C   LIG    1       -4.942   0.799   0.323  0.00  0.00    +0.117 A 
ATOM     14  N   LIG    1       -4.595   0.025  -0.765  0.00  0.00    -0.240 N 
ATOM     15  N   LIG    1       -5.643  -0.114  -1.618  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1       -6.633   0.576  -1.054  0.00  0.00    +0.138 A 
ENDBRANCH   5  14
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  N   LIG    1        2.512  -0.532   0.903  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.106  -0.210   1.799  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.366   0.793   0.212  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        2.997   1.941   1.008  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        3.134   0.718  -1.217  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        5.050   0.400   0.514  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        5.985   1.418   0.379  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        5.620   2.650   0.003  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        7.334   1.168   0.619  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        7.747  -0.110   0.996  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.809  -1.136   1.128  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.455  -0.885   0.887  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 5