REMARK  Name = BDB002619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.708  -0.727   0.162  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1       -0.641  -0.852   0.570  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -0.880  -1.891   1.459  0.00  0.00    +0.114 A 
ATOM      4  S   LIG    1       -2.515  -2.059   1.870  0.00  0.00    -0.073 S 
ATOM      5  C   LIG    1       -2.975  -0.737   0.888  0.00  0.00    -0.004 A 
ATOM      6  C   LIG    1       -4.439  -0.392   0.805  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -4.830   0.160  -0.563  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -4.472   1.633  -0.761  0.00  0.00    +0.001 C 
ATOM      9  C   LIG    1       -3.123   2.075  -0.195  0.00  0.00    +0.005 C 
ATOM     10  C   LIG    1       -1.959   1.145  -0.535  0.00  0.00    +0.037 C 
ATOM     11  N   LIG    1        0.023  -2.736   1.982  0.00  0.00    -0.228 NA
ATOM     12  C   LIG    1        1.257  -2.496   1.550  0.00  0.00    +0.224 A 
ATOM     13  C   LIG    1       -1.879  -0.117   0.295  0.00  0.00    -0.025 A 
ATOM     14  N   LIG    1        1.637  -1.556   0.678  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1  17
ATOM     15  O   LIG    1        2.416   1.044  -2.420  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        2.322   0.473  -1.333  0.00  0.00    +0.249 C 
ATOM     17  N   LIG    1        1.078   0.192  -0.827  0.00  0.00    -0.266 N 
ATOM     18  H   LIG    1        0.341   0.561  -1.406  0.00  0.00    +0.157 HD
BRANCH  16  19
ATOM     19  C   LIG    1        3.561   0.170  -0.586  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        4.606  -0.480  -1.255  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        5.804  -0.736  -0.586  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        5.952  -0.325   0.736  0.00  0.00    +0.123 A 
ATOM     23  F   LIG    1        7.102  -0.572   1.376  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        4.930   0.345   1.401  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        3.730   0.605   0.737  0.00  0.00    +0.016 A 
ENDBRANCH  16  19
ENDBRANCH   1  17
TORSDOF 2