REMARK  Name = BDB017071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.214  -1.353   0.960  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.963  -0.728   0.651  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.849  -1.746   0.348  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.216  -2.968   0.488  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.012  -2.698   0.864  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.244  -1.592  -0.064  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.836  -2.691  -0.594  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.121  -2.591  -0.986  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.866  -1.433  -0.881  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        5.257  -0.302  -0.336  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        3.923  -0.387   0.079  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.000   0.942  -0.202  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        5.498   2.084   0.302  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        6.572   2.881   0.196  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        6.559   3.853   0.494  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        7.669   2.325  -0.328  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        7.315   1.075  -0.589  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.449  -0.704   1.357  0.00  0.00    +0.131 C 
BRANCH  18  25
ATOM     19  C   LIG    1       -5.718   2.313   1.174  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.383   2.035  -0.148  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.257   1.256  -0.438  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1       -3.868   0.955  -1.861  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1       -3.496  -0.518  -2.009  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -2.598  -1.063  -0.888  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -2.203  -0.029   0.192  0.00  0.00    +0.039 C 
ATOM     26  C   LIG    1       -3.441   0.762   0.603  0.00  0.00    -0.039 A 
ATOM     27  C   LIG    1       -3.790   1.058   1.927  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.924   1.824   2.208  0.00  0.00    +0.000 A 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 4