REMARK  Name = BDB015431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.298  -1.760  -2.034  0.00  0.00    +0.077 S 
ATOM      2  O   LIG    1       -1.138  -2.399  -1.045  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.080  -2.485  -3.233  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        1.208  -1.280  -1.210  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        2.434  -1.389  -1.869  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        3.607  -1.018  -1.206  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        3.575  -0.547   0.119  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        2.330  -0.467   0.767  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.152  -0.838   0.113  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        4.813  -0.153   0.812  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        4.941   1.121   1.394  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        6.116   1.497   2.050  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        7.171   0.599   2.131  0.00  0.00    +0.123 A 
ATOM     14  F   LIG    1        8.298   0.958   2.760  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        7.075  -0.667   1.567  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        5.901  -1.040   0.909  0.00  0.00    +0.011 A 
ENDBRANCH   7  10
ENDBRANCH   1   4
BRANCH   1  18
ATOM     17  C   LIG    1       -1.342   0.751  -1.631  0.00  0.00    +0.201 C 
ATOM     18  N   LIG    1       -0.945  -0.272  -2.516  0.00  0.00    -0.172 N 
ATOM     19  C   LIG    1       -0.275   0.364  -3.666  0.00  0.00    +0.158 C 
ATOM     20  C   LIG    1       -0.035   1.769  -3.129  0.00  0.00    +0.166 C 
ATOM     21  N   LIG    1       -0.885   1.927  -1.927  0.00  0.00    -0.253 NA
BRANCH  17  25
ATOM     22  N   LIG    1       -4.724   0.730   1.001  0.00  0.00    -0.300 NA
ATOM     23  C   LIG    1       -3.376   1.063   1.516  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -2.399   1.525   0.417  0.00  0.00    +0.123 C 
ATOM     25  N   LIG    1       -2.166   0.459  -0.580  0.00  0.00    -0.300 N 
ATOM     26  C   LIG    1       -3.304  -0.471  -0.741  0.00  0.00    +0.123 C 
ATOM     27  C   LIG    1       -4.644   0.208  -0.384  0.00  0.00    +0.103 C 
BRANCH  22  29
ATOM     28  C   LIG    1       -5.696   0.377   3.274  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -5.438  -0.202   1.886  0.00  0.00    +0.081 C 
ENDBRANCH  22  29
ENDBRANCH  17  25
ENDBRANCH   1  18
TORSDOF 5