REMARK  Name = BDB006092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.438   0.508  -0.604  0.00  0.00    -0.293 NA
ATOM      2  C   LIG    1       -0.285  -0.958  -0.532  0.00  0.00    +0.102 C 
ATOM      3  C   LIG    1        0.895  -1.521  -1.347  0.00  0.00    +0.125 C 
ATOM      4  N   LIG    1        2.207  -0.924  -0.933  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        2.058   0.456  -0.362  0.00  0.00    +0.125 C 
ATOM      6  C   LIG    1        0.832   1.170  -0.957  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   4   7
ATOM      7  S   LIG    1        3.180  -1.988  -0.020  0.00  0.00    +0.061 S 
ATOM      8  O   LIG    1        3.365  -3.198  -0.791  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1        2.640  -2.033   1.322  0.00  0.00    -0.153 OA
BRANCH   7  10
ATOM     10  C   LIG    1        4.745  -1.147   0.029  0.00  0.00    +0.106 A 
ATOM     11  C   LIG    1        5.203  -0.582   1.223  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        6.443   0.076   1.255  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1        7.212   0.135   0.080  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        6.750  -0.442  -1.107  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        5.515  -1.087  -1.135  0.00  0.00    +0.028 A 
BRANCH  12  16
ATOM     16  C   LIG    1        6.954   0.677   2.543  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1        7.514  -0.252   3.363  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        5.970   1.277   3.268  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        7.906   1.632   2.350  0.00  0.00    -0.166 F 
ENDBRANCH  12  16
ENDBRANCH   7  10
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -1.527   0.967  -1.481  0.00  0.00    +0.158 C 
BRANCH  20  27
ATOM     21  O   LIG    1       -8.389  -1.162   1.337  0.00  0.00    -0.266 OA
ATOM     22  C   LIG    1       -7.304  -0.948   0.810  0.00  0.00    +0.273 A 
ATOM     23  C   LIG    1       -6.537   0.267   1.116  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1       -5.321   0.440   0.481  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1       -4.512   1.563   0.699  0.00  0.00    +0.077 A 
ATOM     26  N   LIG    1       -3.267   1.749   0.053  0.00  0.00    -0.232 NA
ATOM     27  C   LIG    1       -2.877   0.812  -0.772  0.00  0.00    +0.123 A 
ATOM     28  N   LIG    1       -3.637  -0.309  -1.029  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1       -3.296  -1.008  -1.674  0.00  0.00    +0.169 HD
ATOM     30  C   LIG    1       -4.971   2.528   1.597  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -6.201   2.368   2.251  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -4.849  -0.580  -0.458  0.00  0.00    +0.162 A 
ATOM     33  N   LIG    1       -5.528  -1.655  -0.730  0.00  0.00    -0.153 NA
ATOM     34  C   LIG    1       -6.988   1.236   2.012  0.00  0.00    +0.014 A 
ATOM     35  N   LIG    1       -6.732  -1.818  -0.096  0.00  0.00    -0.241 N 
ATOM     36  H   LIG    1       -7.249  -2.664  -0.316  0.00  0.00    +0.192 HD
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 5