REMARK  Name = BDB055408
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.349   1.410   1.264  0.00  0.00    +0.192 C 
ENDROOT
BRANCH   1   2
ATOM      2  S   LIG    1        0.907  -0.278   1.199  0.00  0.00    +0.015 S 
ATOM      3  O   LIG    1        1.029  -0.774   2.558  0.00  0.00    -0.168 OA
ATOM      4  O   LIG    1        0.152  -0.992   0.184  0.00  0.00    -0.168 OA
BRANCH   2   5
ATOM      5  C   LIG    1        2.576  -0.168   0.573  0.00  0.00    +0.176 A 
ATOM      6  N   LIG    1        2.924   1.039   0.055  0.00  0.00    -0.236 NA
ATOM      7  C   LIG    1        4.190   1.133  -0.413  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        5.116   0.095  -0.375  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        4.707  -1.129   0.172  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        3.412  -1.269   0.662  0.00  0.00    +0.048 A 
BRANCH   8  11
ATOM     11  C   LIG    1        6.489   0.304  -0.939  0.00  0.00    +0.419 C 
ATOM     12  F   LIG    1        6.505   0.232  -2.297  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        7.397  -0.612  -0.503  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        7.007   1.523  -0.623  0.00  0.00    -0.166 F 
ENDBRANCH   8  11
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.025   1.546   1.896  0.00  0.00    +0.127 C 
BRANCH  15  18
ATOM     16  O   LIG    1       -2.647  -0.750   2.179  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -2.811  -0.017   1.211  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1       -2.104   1.152   1.008  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.210   1.640   0.128  0.00  0.00    +0.149 HD
BRANCH  17  20
ATOM     20  C   LIG    1       -3.794  -0.383   0.159  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -4.005  -1.742  -0.108  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -4.921  -2.132  -1.087  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1       -5.632  -1.163  -1.793  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -6.762  -1.640  -2.999  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -5.439   0.193  -1.524  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1       -4.521   0.586  -0.545  0.00  0.00    +0.014 A 
ENDBRANCH  17  20
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6