REMARK  Name = BDB021224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.655  -2.972   0.846  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1       -2.735  -2.136   0.693  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1       -2.221  -0.927   0.571  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1       -0.842  -0.958   0.622  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.053   0.203   0.528  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.620   1.376   0.442  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1       -1.998   1.419   0.392  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -2.825   0.352   0.417  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -0.473  -2.268   0.820  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -4.279   0.574   0.317  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.936   0.911  -0.878  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1       -6.278   1.168  -0.915  0.00  0.00    -0.254 NA
ATOM     13  C   LIG    1       -6.986   1.031   0.225  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -6.425   0.671   1.434  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -5.054   0.445   1.479  0.00  0.00    +0.012 A 
BRANCH  11  16
ATOM     16  C   LIG    1       -4.178   1.067  -2.185  0.00  0.00    +0.390 C 
ATOM     17  F   LIG    1       -4.956   0.936  -3.299  0.00  0.00    -0.202 F 
ATOM     18  F   LIG    1       -3.162   0.170  -2.357  0.00  0.00    -0.202 F 
ENDBRANCH  11  16
ENDBRANCH   8  10
BRANCH   1  20
ATOM     19  N   LIG    1       -1.915  -5.531   1.178  0.00  0.00    -0.189 NA
ATOM     20  C   LIG    1       -1.817  -4.383   1.026  0.00  0.00    +0.121 C 
ENDBRANCH   1  20
BRANCH   5  21
ATOM     21  N   LIG    1        1.320   0.118   0.559  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        1.684   1.052   0.737  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.020  -0.432  -0.598  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.480  -0.554  -0.285  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.377   0.497  -0.452  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.171   1.857  -1.007  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        5.497   2.498  -0.595  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        6.479   1.458  -0.390  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        5.724   0.340  -0.149  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        6.240  -0.846   0.331  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        5.357  -1.908   0.525  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        3.998  -1.754   0.222  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1        3.178  -2.798   0.415  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 6