REMARK  Name = BDB021345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.906  -0.145  -0.151  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        2.173  -0.776   0.896  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.814  -0.526   0.950  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.314  -1.241   2.015  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.403  -1.881   2.561  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.151   0.310   0.029  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.834   0.862  -0.936  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.550  -1.590   1.865  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        2.188   0.615  -1.006  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.557   0.575  -0.787  0.00  0.00    +0.141 A 
ATOM     11  N   LIG    1        7.131  -0.650  -0.743  0.00  0.00    -0.245 NA
ATOM     12  C   LIG    1        6.316  -1.695  -0.493  0.00  0.00    +0.113 A 
ATOM     13  C   LIG    1        4.949  -1.575  -0.302  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        4.365  -0.307  -0.368  0.00  0.00    -0.009 A 
ATOM     15  C   LIG    1        5.197   0.793  -0.606  0.00  0.00    +0.047 A 
BRANCH  10  17
ATOM     16  N   LIG    1        8.121   2.601  -1.242  0.00  0.00    -0.189 NA
ATOM     17  C   LIG    1        7.445   1.678  -1.038  0.00  0.00    +0.119 C 
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   5  18
ATOM     18  C   LIG    1        1.412  -2.757   3.693  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1        1.382  -3.465   4.613  0.00  0.00    -0.189 NA
ENDBRANCH   5  18
BRANCH   6  20
ATOM     20  N   LIG    1       -1.205   0.511   0.175  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.597   0.377   1.101  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.895   1.541  -0.582  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.377   1.377  -0.410  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.088   0.352  -1.028  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.611  -0.757  -1.890  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -4.958  -1.261  -2.410  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -5.998  -0.866  -1.485  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.453   0.202  -0.822  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.172   1.048  -0.001  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.482   2.086   0.625  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.104   2.240   0.419  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -3.472   3.236   1.055  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6