REMARK  Name = BDB065344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.606   0.123  -1.767  0.00  0.00    -0.182 NA
ATOM      2  H   LIG    1        0.484   0.841  -2.486  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  S   LIG    1        1.730  -1.060  -2.093  0.00  0.00    +0.059 S 
ATOM      4  O   LIG    1        2.535  -0.585  -3.196  0.00  0.00    -0.153 OA
ATOM      5  O   LIG    1        1.047  -2.333  -2.137  0.00  0.00    -0.153 OA
BRANCH   3   6
ATOM      6  C   LIG    1        2.739  -1.008  -0.635  0.00  0.00    +0.106 A 
ATOM      7  C   LIG    1        2.613  -2.007   0.334  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        3.420  -1.951   1.467  0.00  0.00    +0.020 A 
ATOM      9 BR   LIG    1        3.257  -3.285   2.797  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1        4.348  -0.921   1.632  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        4.475   0.066   0.652  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        3.672   0.024  -0.487  0.00  0.00    +0.028 A 
ENDBRANCH   3   6
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1       -0.561  -0.199  -0.940  0.00  0.00    +0.185 C 
BRANCH  13  15
ATOM     14  O   LIG    1       -1.267   1.999  -1.631  0.00  0.00    -0.291 OA
ATOM     15  C   LIG    1       -1.452   1.034  -0.885  0.00  0.00    +0.181 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.584   1.077   0.081  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1       -2.984  -0.032   0.827  0.00  0.00    +0.134 A 
ATOM     18  F   LIG    1       -2.366  -1.214   0.703  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -4.050   0.051   1.722  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -4.734   1.256   1.879  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -4.351   2.372   1.138  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.282   2.285   0.242  0.00  0.00    +0.014 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 5