REMARK  Name = BDB020804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.519   0.432   0.022  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -0.478   1.211   0.675  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -1.787   0.846   0.480  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.529   1.775   1.147  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.735   2.621   1.765  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.169  -0.251  -0.297  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.259  -0.952  -0.917  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.438   2.263   1.470  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.062  -0.589  -0.739  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  O   LIG    1        6.540   2.686  -0.163  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        6.092   1.543  -0.098  0.00  0.00    +0.247 C 
ATOM     12  N   LIG    1        4.735   1.244   0.064  0.00  0.00    -0.293 N 
ATOM     13  C   LIG    1        3.828   2.381   0.208  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1        2.431   2.062  -0.326  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1        1.952   0.701   0.120  0.00  0.00    -0.036 C 
ATOM     16  C   LIG    1        2.825  -0.205   0.600  0.00  0.00    -0.004 C 
ATOM     17  C   LIG    1        4.306   0.004   0.709  0.00  0.00    +0.135 C 
BRANCH  11  18
ATOM     18  C   LIG    1        7.058   0.428  -0.211  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        8.129   0.366   0.684  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        9.059  -0.668   0.575  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        8.927  -1.623  -0.435  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        7.870  -1.543  -1.345  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        6.936  -0.512  -1.240  0.00  0.00    +0.013 A 
ENDBRANCH  11  18
ENDBRANCH   1  15
BRANCH   6  24
ATOM     24  N   LIG    1       -3.497  -0.591  -0.444  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -3.546  -1.273  -1.204  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.218  -1.157   0.695  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.617  -1.513   0.286  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -6.567  -0.556  -0.061  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -6.481   0.925  -0.068  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -7.770   1.248  -0.825  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -8.681   0.133  -0.699  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -7.862  -0.926  -0.408  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -8.273  -2.243  -0.431  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -7.335  -3.220  -0.101  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -6.029  -2.852   0.250  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -5.159  -3.821   0.568  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 5