REMARK  Name = BDB050066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.195  -0.321  -0.426  0.00  0.00    +0.118 A 
ATOM      2  N   LIG    1        1.923  -0.310  -0.197  0.00  0.00    -0.158 NA
ATOM      3  N   LIG    1        1.179  -0.044  -1.315  0.00  0.00    -0.212 N 
ATOM      4  C   LIG    1        1.662   0.207  -2.591  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        0.692   0.452  -3.442  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.457   0.360  -2.702  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1        3.062   0.171  -2.777  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -0.202   0.045  -1.377  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1        3.859  -0.087  -1.733  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -1.123  -0.135  -0.255  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -2.229   0.717  -0.112  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -3.142   0.557   0.945  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.930  -0.471   1.874  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -1.840  -1.328   1.739  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -0.946  -1.162   0.680  0.00  0.00    +0.010 A 
BRANCH  12  16
ATOM     16  C   LIG    1       -4.306   1.503   1.096  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1       -5.366   0.951   1.751  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -4.796   1.940  -0.098  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -3.976   2.623   1.797  0.00  0.00    -0.166 F 
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  C   LIG    1        3.223  -0.672   2.294  0.00  0.00    +0.091 C 
ATOM     21  S   LIG    1        4.331  -0.640   0.868  0.00  0.00    -0.108 S 
ENDBRANCH   1  21
TORSDOF 3