REMARK  Name = BDB027844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.104  -0.660   0.068  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.201  -1.888   0.716  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.558  -2.219   0.886  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        1.828  -3.431   1.504  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.910  -4.318   1.970  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.377  -3.966   1.816  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.567  -1.421   0.491  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1        2.275  -0.235  -0.087  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -0.774  -2.787   1.209  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        0.960   0.174  -0.291  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.442   0.587  -0.471  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        4.627   0.539   0.278  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.706   1.322  -0.101  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        5.696   2.146  -1.167  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.560   2.177  -1.891  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.430   1.431  -1.590  0.00  0.00    +0.030 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.453  -0.280  -0.103  0.00  0.00    -0.342 N 
ATOM     18  H   LIG    1       -1.996  -1.080  -0.420  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.799   0.943  -0.837  0.00  0.00    +0.122 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.082   0.117  -1.640  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1       -3.338   1.211  -0.860  0.00  0.00    +0.026 C 
ATOM     22  C   LIG    1       -3.903   1.314   0.566  0.00  0.00    +0.029 C 
BRANCH  21  23
ATOM     23  N   LIG    1       -3.593   2.492  -1.552  0.00  0.00    -0.324 NA
ATOM     24  H   LIG    1       -4.598   2.667  -1.591  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1       -3.204   3.261  -1.005  0.00  0.00    +0.119 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5