REMARK  Name = BDB017083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.625   1.115  -0.411  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        0.700   0.996  -0.082  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.326   0.565  -1.236  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.397   0.435  -2.250  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.759   0.764  -1.722  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.753   0.295  -1.395  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.235   0.333  -2.662  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.547   0.086  -2.846  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.424  -0.199  -1.818  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        4.928  -0.236  -0.514  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        3.568   0.014  -0.303  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.805  -0.532   0.609  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        7.119  -0.800   0.507  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        7.423  -0.991   1.799  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        8.364  -1.224   2.106  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        6.415  -0.857   2.667  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        5.365  -0.562   1.914  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.685   1.601   0.458  0.00  0.00    +0.158 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -6.410  -0.427  -0.728  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -5.880  -1.176   0.320  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -4.620  -0.875   0.862  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -3.860   0.209   0.348  0.00  0.00    -0.013 A 
ATOM     23  C   LIG    1       -2.585   0.481   0.928  0.00  0.00    -0.020 A 
ATOM     24  C   LIG    1       -2.112  -0.328   1.982  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -2.871  -1.384   2.470  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.429   0.948  -0.717  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -4.117  -1.653   1.914  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -5.684   0.635  -1.247  0.00  0.00    +0.001 A 
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4