REMARK  Name = BDB026359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.302  -1.504  -2.489  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -2.914  -0.785  -1.569  0.00  0.00    +0.233 C 
ATOM      3  N   LIG    1       -1.736  -1.008  -0.912  0.00  0.00    -0.299 N 
ATOM      4  C   LIG    1       -0.915  -0.137  -0.076  0.00  0.00    +0.119 C 
ATOM      5  C   LIG    1        0.232  -1.009  -0.471  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        1.099  -1.637   0.572  0.00  0.00    +0.116 C 
ATOM      7  N   LIG    1        2.204  -1.427  -0.350  0.00  0.00    -0.328 N 
ATOM      8  C   LIG    1        1.460  -0.402  -1.068  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1       -0.636  -1.880  -1.329  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        3.551  -1.247   0.073  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1        4.000  -0.211   0.941  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        5.360  -0.175   1.232  0.00  0.00    +0.110 A 
ATOM     13  S   LIG    1        5.787   1.107   2.268  0.00  0.00    -0.073 S 
ATOM     14  C   LIG    1        4.173   1.664   2.365  0.00  0.00    +0.001 A 
ATOM     15  N   LIG    1        6.302  -1.025   0.785  0.00  0.00    -0.247 NA
ATOM     16  C   LIG    1        5.834  -1.991  -0.025  0.00  0.00    +0.126 A 
ATOM     17  C   LIG    1        3.326   0.864   1.622  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        4.512  -2.156  -0.410  0.00  0.00    +0.094 A 
BRANCH  18  19
ATOM     19  C   LIG    1        4.145  -3.287  -1.323  0.00  0.00    +0.421 C 
ATOM     20  F   LIG    1        3.601  -2.877  -2.504  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        5.216  -4.061  -1.675  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        3.250  -4.155  -0.768  0.00  0.00    -0.166 F 
ENDBRANCH  18  19
BRANCH  14  23
ATOM     23  C   LIG    1        3.834   2.871   3.196  0.00  0.00    +0.155 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.228   4.004   2.387  0.00  0.00    +0.394 C 
ATOM     25  F   LIG    1        2.995   5.077   3.178  0.00  0.00    -0.170 F 
ATOM     26  F   LIG    1        2.043   3.646   1.845  0.00  0.00    -0.170 F 
ATOM     27  F   LIG    1        4.040   4.405   1.387  0.00  0.00    -0.170 F 
ENDBRANCH  23  24
ENDBRANCH  14  23
ENDBRANCH   7  10
BRANCH   2  28
ATOM     28  C   LIG    1       -3.754   0.393  -1.046  0.00  0.00    +0.147 C 
ATOM     29  C   LIG    1       -4.466   0.032   0.265  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1       -5.029   1.317   0.872  0.00  0.00    +0.173 C 
ATOM     31  C   LIG    1       -6.091   1.750  -0.144  0.00  0.00    +0.056 C 
ATOM     32  C   LIG    1       -6.097   0.566  -1.127  0.00  0.00    +0.057 C 
ATOM     33  F   LIG    1       -4.059   2.246   1.023  0.00  0.00    -0.245 F 
ATOM     34  C   LIG    1       -5.748  -0.623  -0.241  0.00  0.00    +0.027 C 
ATOM     35  N   LIG    1       -4.893   0.687  -1.975  0.00  0.00    -0.302 NA
ATOM     36  H   LIG    1       -4.902  -0.063  -2.679  0.00  0.00    +0.123 HD
ENDBRANCH   2  28
TORSDOF 5