REMARK  Name = BDB057368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.463  -0.019  -0.722  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1        2.691  -0.859  -1.424  0.00  0.00    -0.204 NA
ATOM      3  C   LIG    1        1.362  -0.878  -1.169  0.00  0.00    +0.146 A 
ATOM      4  N   LIG    1        0.674  -1.858  -1.877  0.00  0.00    -0.321 N 
ATOM      5  H   LIG    1        1.337  -2.397  -2.425  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -0.392  -2.542  -1.431  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1       -1.394  -2.036  -0.577  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -1.639  -0.751  -0.110  0.00  0.00    -0.241 NA
ATOM      9  C   LIG    1       -0.691   0.131  -0.015  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1       -2.266  -3.075  -0.362  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1       -3.526  -3.170   0.403  0.00  0.00    +0.067 C 
ATOM     12  N   LIG    1       -1.752  -4.118  -1.080  0.00  0.00    -0.278 N 
ATOM     13  H   LIG    1       -2.128  -5.056  -1.174  0.00  0.00    +0.189 HD
ATOM     14  N   LIG    1       -0.621  -3.821  -1.742  0.00  0.00    -0.154 NA
ATOM     15  C   LIG    1        0.775  -0.014  -0.263  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        1.670   0.789   0.426  0.00  0.00    +0.127 A 
ATOM     17  N   LIG    1        3.002   0.811   0.220  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.179   1.485   0.406  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -1.972   1.594   1.552  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -2.433   2.846   1.936  0.00  0.00    +0.124 A 
ATOM     21  F   LIG    1       -3.183   2.962   3.039  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -2.126   3.985   1.196  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -1.352   3.872   0.041  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -0.881   2.620  -0.361  0.00  0.00    +0.010 A 
ENDBRANCH   9  18
BRANCH   1  26
ATOM     25  C   LIG    1        5.831   1.007   0.236  0.00  0.00    +0.093 C 
ATOM     26  S   LIG    1        5.196  -0.037  -1.098  0.00  0.00    -0.089 S 
ENDBRANCH   1  26
TORSDOF 2