REMARK  Name = BDB059363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.074   1.317  -0.365  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.075   0.485  -1.259  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1       -0.823   0.390  -2.310  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.868  -0.469  -2.860  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.220  -0.464  -1.237  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        1.377  -1.473  -2.186  0.00  0.00    +0.136 A 
ATOM      7  F   LIG    1        0.487  -1.635  -3.177  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        2.460  -2.348  -2.131  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1        3.411  -2.225  -1.115  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        3.274  -1.219  -0.149  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        2.176  -0.341  -0.215  0.00  0.00    +0.043 A 
BRANCH  10  12
ATOM     12  N   LIG    1        4.226  -1.069   0.900  0.00  0.00    -0.240 N 
ATOM     13  N   LIG    1        4.088  -0.089   1.829  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1        5.133  -0.237   2.642  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1        5.960  -1.302   2.262  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1        5.358  -1.821   1.141  0.00  0.00    +0.114 A 
ENDBRANCH  10  12
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1       -2.170   1.085  -2.079  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1       -2.049   1.914  -1.479  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -3.397   0.056  -1.450  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1       -2.765  -1.155  -0.964  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1       -4.461   0.002  -2.430  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.963   0.988  -0.053  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1       -3.200   0.995   1.119  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -3.643   1.724   2.221  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.843   2.433   2.154  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.607   2.414   0.985  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.171   1.688  -0.124  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5