REMARK  Name = BDB021845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.813   0.267  -0.050  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.866  -0.631  -0.306  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.112  -0.158   0.047  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1       -3.197   0.847   0.075  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.672  -1.733  -0.813  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.276  -0.690  -0.743  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        2.943   0.712  -0.535  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.476   0.966  -0.899  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.543  -0.179  -0.451  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.203  -1.044   0.629  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.542  -1.605   0.136  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.713  -0.973  -0.813  0.00  0.00    +0.084 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.541  -0.524   0.402  0.00  0.00    +0.015 C 
BRANCH  13  15
ATOM     14  C   LIG    1        7.780  -0.339  -0.815  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        7.004  -0.975   0.328  0.00  0.00    -0.002 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -4.325  -0.876   0.052  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1       -4.419  -2.263  -0.036  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -5.674  -2.888  -0.002  0.00  0.00    +0.075 A 
ATOM     19  C   LIG    1       -6.797  -2.081   0.115  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1       -6.749  -0.735   0.217  0.00  0.00    -0.261 NA
ATOM     21  C   LIG    1       -5.519  -0.168   0.184  0.00  0.00    +0.134 A 
BRANCH  18  22
ATOM     22  C   LIG    1       -5.821  -4.372  -0.123  0.00  0.00    +0.419 C 
ATOM     23  F   LIG    1       -6.956  -4.844   0.465  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -4.797  -5.061   0.452  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -5.875  -4.787  -1.418  0.00  0.00    -0.166 F 
ENDBRANCH  18  22
ENDBRANCH   3  16
BRANCH   1  26
ATOM     26  C   LIG    1       -0.917   1.273   1.017  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.630   2.548   0.616  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -2.297   3.296   1.599  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.964   4.476   1.266  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.966   4.928  -0.051  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.296   4.205  -1.035  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.628   3.025  -0.704  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8