REMARK  Name = BDB063040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.065   2.663  -1.871  0.00  0.00    +0.036 C 
ATOM      2  C   LIG    1       -0.989   1.681  -0.702  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -2.240   0.857  -0.591  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -2.862   0.636   0.614  0.00  0.00    -0.340 N 
ATOM      5  H   LIG    1       -2.580   1.011   1.510  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -3.954  -0.168   0.396  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1       -3.958  -0.373  -0.978  0.00  0.00    +0.090 A 
ATOM      8  C   LIG    1       -4.988  -1.127  -1.560  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -6.001  -1.639  -0.739  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -5.979  -1.421   0.641  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -4.938  -0.696   1.240  0.00  0.00    +0.062 A 
ATOM     12  N   LIG    1       -2.881   0.241  -1.567  0.00  0.00    -0.231 NA
BRANCH  11  13
ATOM     13  C   LIG    1       -4.925  -0.495   2.703  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -5.955  -0.394   3.352  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1       -3.695  -0.481   3.307  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1       -2.949  -1.022   2.888  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -3.744  -0.526   4.319  0.00  0.00    +0.145 HD
ENDBRANCH  11  13
ENDBRANCH   2   3
BRANCH   2  18
ATOM     18  N   LIG    1        0.182   0.790  -0.808  0.00  0.00    -0.293 N 
ATOM     19  C   LIG    1        1.474   1.023  -0.302  0.00  0.00    +0.147 C 
ATOM     20  S   LIG    1        1.857   2.326   0.679  0.00  0.00    -0.018 S 
ATOM     21  N   LIG    1        2.320   0.039  -0.816  0.00  0.00    -0.220 N 
ATOM     22  C   LIG    1        1.632  -0.747  -1.725  0.00  0.00    +0.243 C 
ATOM     23  O   LIG    1        2.045  -1.691  -2.390  0.00  0.00    -0.273 OA
ATOM     24  C   LIG    1        0.198  -0.281  -1.784  0.00  0.00    +0.204 C 
BRANCH  21  25
ATOM     25  C   LIG    1        3.701  -0.177  -0.517  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1        4.218   0.012   0.774  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        5.580  -0.205   1.067  0.00  0.00    +0.057 A 
ATOM     28  C   LIG    1        6.433  -0.644   0.048  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        5.936  -0.856  -1.234  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        4.584  -0.630  -1.509  0.00  0.00    +0.024 A 
BRANCH  27  31
ATOM     31  C   LIG    1        6.091  -0.018   2.474  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        5.846  -1.103   3.259  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.435   0.195   2.537  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        5.517   1.040   3.112  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  21  25
ENDBRANCH   2  18
TORSDOF 5