REMARK  Name = BDB020933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.307   1.869   1.682  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -2.142   2.450   2.389  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -0.800   1.919   1.853  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -0.701   1.964   0.384  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.576   1.966  -0.164  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        1.589   2.095   0.528  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.886   1.464  -0.332  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -3.205   2.039   0.219  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -4.478  -1.918   3.006  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -3.300  -1.311   3.399  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -2.903  -0.085   2.977  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1       -3.690   0.595   2.115  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -4.903   0.047   1.690  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -5.299  -1.217   2.132  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1       -5.122  -4.265   3.885  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1       -4.833  -3.212   3.493  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1        0.684   1.802  -1.672  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.125   1.912  -2.169  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.872   0.615  -1.960  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1        3.301   0.361  -0.686  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        3.059   1.002   0.069  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1        3.959  -0.787  -0.325  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1        4.292  -1.029   0.829  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1        4.231  -1.729  -1.424  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1        3.765  -1.386  -2.699  0.00  0.00    +0.081 A 
ATOM     26  C   LIG    1        4.004  -2.262  -3.758  0.00  0.00    +0.067 A 
ATOM     27  C   LIG    1        4.695  -3.450  -3.533  0.00  0.00    +0.125 A 
ATOM     28  C   LIG    1        5.157  -3.789  -2.264  0.00  0.00    +0.039 A 
ATOM     29  F   LIG    1        4.919  -4.284  -4.556  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        4.925  -2.924  -1.196  0.00  0.00    +0.018 A 
ATOM     31  N   LIG    1        3.063  -0.195  -2.950  0.00  0.00    -0.234 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5