REMARK  Name = BDB021303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.739   0.586   0.158  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -1.956  -0.575   0.456  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.582  -0.447   0.361  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.032  -1.645   0.756  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.104  -2.458   1.034  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.051   0.743  -0.038  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.662   1.805  -0.284  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.289  -1.796   0.840  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -2.034   1.695  -0.169  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -6.990   2.712   1.296  0.00  0.00    +0.073 C 
ATOM     11  C   LIG    1       -6.061   1.673   0.778  0.00  0.00    +0.076 A 
ATOM     12  S   LIG    1       -6.679   0.202   0.151  0.00  0.00    -0.077 S 
ATOM     13  C   LIG    1       -5.077  -0.329  -0.185  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -4.868  -1.653  -0.835  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -4.178   0.638   0.235  0.00  0.00    +0.086 A 
ATOM     16  N   LIG    1       -4.752   1.790   0.755  0.00  0.00    -0.244 NA
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1       -1.064  -3.817   1.480  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1       -0.990  -4.922   1.833  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1        1.423   0.813  -0.149  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        1.658   1.804  -0.234  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.083   0.112  -1.249  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.550   0.435  -1.262  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        4.398   0.150  -0.194  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.101  -0.423   1.141  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1        5.526  -0.703   1.618  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1        6.441   0.147   0.890  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        5.749   0.473  -0.246  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        6.321   1.083  -1.344  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        5.497   1.362  -2.433  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        4.134   1.036  -2.386  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        3.375   1.321  -3.454  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5