REMARK  Name = BDB001977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.241   0.095   0.767  0.00  0.00    -0.278 N 
ATOM      2  H   LIG    1       -1.133  -0.434   1.625  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1       -0.119   0.089  -0.033  0.00  0.00    +0.306 C 
ATOM      4  N   LIG    1        1.022   0.028   0.723  0.00  0.00    -0.247 N 
ATOM      5  H   LIG    1        0.982   0.193   1.714  0.00  0.00    +0.158 HD
ATOM      6  O   LIG    1       -0.189   0.159  -1.248  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.263  -0.032   0.149  0.00  0.00    +0.189 A 
ATOM      8  S   LIG    1        3.559   0.074   1.254  0.00  0.00    -0.027 S 
ATOM      9  C   LIG    1        4.622  -0.073  -0.100  0.00  0.00    +0.206 A 
ATOM     10  N   LIG    1        3.990  -0.194  -1.253  0.00  0.00    -0.136 NA
ATOM     11  N   LIG    1        2.616  -0.171  -1.104  0.00  0.00    -0.125 NA
BRANCH   9  12
ATOM     12  C   LIG    1        6.098  -0.059   0.102  0.00  0.00    +0.443 C 
ATOM     13  F   LIG    1        6.798  -0.183  -1.056  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1        6.521   1.096   0.686  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1        6.511  -1.071   0.913  0.00  0.00    -0.164 F 
ENDBRANCH   9  12
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1       -2.899   1.270  -0.727  0.00  0.00    +0.050 C 
ATOM     17  C   LIG    1       -2.652   0.068   0.200  0.00  0.00    +0.223 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.655   0.142   1.353  0.00  0.00    +0.419 C 
ATOM     19  F   LIG    1       -4.942   0.129   0.961  0.00  0.00    -0.168 F 
ATOM     20  F   LIG    1       -3.473   1.285   2.065  0.00  0.00    -0.168 F 
ATOM     21  F   LIG    1       -3.474  -0.875   2.229  0.00  0.00    -0.168 F 
ENDBRANCH  17  18
BRANCH  17  22
ATOM     22  C   LIG    1       -2.993  -1.243  -0.514  0.00  0.00    +0.419 C 
ATOM     23  F   LIG    1       -2.760  -2.306   0.294  0.00  0.00    -0.168 F 
ATOM     24  F   LIG    1       -4.291  -1.301  -0.888  0.00  0.00    -0.168 F 
ATOM     25  F   LIG    1       -2.264  -1.440  -1.631  0.00  0.00    -0.168 F 
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 5