REMARK  Name = BDB021268
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.996   0.183  -0.477  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.395  -1.003   0.030  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        1.022  -1.098  -0.074  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.663  -2.330   0.418  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.841  -2.907   0.834  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.232  -0.078  -0.635  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.796   0.991  -1.127  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.911  -2.078   0.594  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        2.170   1.090  -1.041  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.319   2.300   1.243  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        5.077   1.418   0.293  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        4.445   0.441  -0.473  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        5.291  -0.321  -1.264  0.00  0.00    +0.123 A 
ATOM     14  N   LIG    1        6.625  -0.141  -1.347  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1        7.121   0.838  -0.581  0.00  0.00    +0.221 A 
ATOM     16  N   LIG    1        6.414   1.634   0.236  0.00  0.00    -0.240 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1        2.008  -4.197   1.431  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1        2.109  -5.248   1.917  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1       -1.136  -0.211  -0.696  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.485   0.479  -1.359  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.915  -0.097   0.533  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.346  -0.441   0.252  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.257   0.478  -0.261  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.072   1.894  -0.664  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.537   2.301  -0.829  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.330   1.116  -1.064  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.564   0.103  -0.548  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.025  -1.183  -0.347  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.132  -2.119   0.172  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -3.813  -1.746   0.463  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -2.979  -2.675   0.953  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5