REMARK  Name = BDB021223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.049  -0.161   0.273  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.093  -1.171  -0.049  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -1.238  -0.850   0.134  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.970  -1.977  -0.162  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.044  -2.912  -0.561  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.662   0.413   0.581  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.782   1.327   0.883  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.230  -2.405  -0.499  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.552   1.017   0.710  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.315  -0.659  -0.152  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.768  -0.121   1.015  0.00  0.00    +0.128 A 
ATOM     12  F   LIG    1        5.568   0.228   2.033  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.393   0.045   1.166  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        2.517  -0.321   0.134  0.00  0.00    -0.010 A 
ATOM     15  C   LIG    1        3.060  -0.875  -1.035  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        4.442  -1.040  -1.179  0.00  0.00    +0.008 A 
BRANCH  10  17
ATOM     17  C   LIG    1        6.809  -0.822  -0.297  0.00  0.00    +0.121 C 
BRANCH  17  19
ATOM     18  C   LIG    1        8.948   0.263  -0.464  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        7.506   0.427  -0.650  0.00  0.00    -0.304 NA
ATOM     20  C   LIG    1        7.227   0.846  -2.024  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   5  21
ATOM     21  C   LIG    1       -1.301  -4.254  -0.986  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1       -1.554  -5.335  -1.330  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -3.003   0.698   0.730  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.060   1.570   1.258  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.832   0.857  -0.465  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.215   1.294  -0.078  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.053   0.528   0.729  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.806  -0.763   1.415  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -7.236  -1.101   1.837  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -8.013   0.117   1.886  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.324   0.976   1.071  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.822   2.187   0.635  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.009   2.964  -0.188  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.728   2.516  -0.537  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -4.977   3.294  -1.329  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7