REMARK  Name = BDB020795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.055   0.435  -0.210  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -0.866   0.172  -1.234  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -2.227   0.188  -1.052  0.00  0.00    +0.172 A 
ATOM      4  N   LIG    1       -2.820  -0.082  -2.198  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -1.840  -0.300  -3.141  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.706   0.475   0.256  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -1.757   0.700   1.192  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -0.677  -0.153  -2.546  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1       -0.391   0.688   0.992  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.127   0.521   0.611  0.00  0.00    -0.038 C 
ATOM     11  C   LIG    1       -4.894  -0.772   0.423  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1       -6.413  -0.617   0.384  0.00  0.00    +0.074 C 
ATOM     13  S   LIG    1       -7.004   0.321   1.818  0.00  0.00    -0.156 S 
ATOM     14  C   LIG    1       -6.120   1.861   1.480  0.00  0.00    +0.096 C 
ATOM     15  C   LIG    1       -4.696   1.658   1.060  0.00  0.00    -0.012 C 
ENDBRANCH   6  10
BRANCH   1  16
ATOM     16  N   LIG    1        1.404   0.410  -0.500  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        1.680   0.595  -1.458  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.383   0.884   0.465  0.00  0.00    +0.143 C 
BRANCH  18  21
ATOM     19  F   LIG    1        4.234   2.735  -0.629  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1        4.629   1.458  -0.534  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        3.759   0.502   0.004  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.223  -0.810   0.060  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.535  -2.049   0.496  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        4.738  -2.990   0.558  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        5.784  -2.476  -0.298  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        5.489  -1.142  -0.405  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.346  -0.203  -0.943  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.906   1.119  -1.003  0.00  0.00    +0.042 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4