REMARK  Name = BDB006094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.969  -1.461   0.096  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -7.635   2.296  -0.897  0.00  0.00    -0.266 OA
ATOM      3  C   LIG    1       -6.533   1.760  -0.865  0.00  0.00    +0.273 A 
ATOM      4  C   LIG    1       -6.162   0.848   0.226  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -4.902   0.280   0.193  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -4.448  -0.602   1.182  0.00  0.00    +0.077 A 
ATOM      7  N   LIG    1       -3.160  -1.186   1.157  0.00  0.00    -0.232 NA
ATOM      8  C   LIG    1       -2.380  -0.868   0.157  0.00  0.00    +0.123 A 
ATOM      9  N   LIG    1       -2.778  -0.011  -0.848  0.00  0.00    -0.325 N 
ATOM     10  H   LIG    1       -2.140   0.206  -1.600  0.00  0.00    +0.169 HD
ATOM     11  C   LIG    1       -5.319  -0.903   2.230  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -6.601  -0.336   2.280  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -3.997   0.605  -0.913  0.00  0.00    +0.162 A 
ATOM     14  N   LIG    1       -4.325   1.413  -1.878  0.00  0.00    -0.153 NA
ATOM     15  C   LIG    1       -7.026   0.541   1.277  0.00  0.00    +0.014 A 
ATOM     16  N   LIG    1       -5.575   1.970  -1.836  0.00  0.00    -0.241 N 
ATOM     17  H   LIG    1       -5.817   2.599  -2.596  0.00  0.00    +0.192 HD
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1       -0.022  -0.640   0.871  0.00  0.00    -0.293 NA
ATOM     19  C   LIG    1        0.172   0.711   0.308  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1        1.515   1.349   0.708  0.00  0.00    +0.125 C 
ATOM     21  N   LIG    1        2.660   0.556   0.151  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1        2.380  -0.916   0.098  0.00  0.00    +0.125 C 
ATOM     23  C   LIG    1        1.267  -1.331   1.078  0.00  0.00    +0.102 C 
BRANCH  21  24
ATOM     24  S   LIG    1        4.159   1.002   0.832  0.00  0.00    +0.061 S 
ATOM     25  O   LIG    1        4.270   2.443   0.778  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        4.300   0.276   2.076  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.321   0.345  -0.341  0.00  0.00    +0.106 A 
ATOM     28  C   LIG    1        6.228  -0.648   0.047  0.00  0.00    +0.031 A 
ATOM     29  C   LIG    1        7.132  -1.150  -0.890  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        7.121  -0.655  -2.192  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1        7.989  -1.142  -3.087  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        6.226   0.339  -2.578  0.00  0.00    +0.040 A 
ATOM     33  C   LIG    1        5.319   0.847  -1.648  0.00  0.00    +0.031 A 
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 4