REMARK  Name = BDB062158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.661  -0.944   1.097  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1        2.124  -1.716   0.640  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.191   0.316   0.935  0.00  0.00    +0.261 C 
ATOM      4  O   LIG    1        1.601   1.335   1.284  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.493   0.364   0.306  0.00  0.00    +0.103 A 
ATOM      6  N   LIG    1        4.113   1.569   0.051  0.00  0.00    -0.350 N 
ATOM      7  H   LIG    1        3.702   2.462   0.287  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        5.337   1.389  -0.553  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        5.513   0.011  -0.683  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1        6.697  -0.462  -1.272  0.00  0.00    +0.133 A 
ATOM     11  C   LIG    1        7.667   0.433  -1.714  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        7.465   1.805  -1.573  0.00  0.00    +0.008 A 
ATOM     13  F   LIG    1        6.905  -1.779  -1.416  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        6.294   2.328  -0.987  0.00  0.00    -0.026 A 
ATOM     15  C   LIG    1        6.139   3.816  -0.861  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1        4.357  -0.619  -0.140  0.00  0.00    +0.043 A 
ENDBRANCH   3   5
BRANCH   1  19
ATOM     17  C   LIG    1       -2.177  -1.200   0.950  0.00  0.00    +0.059 C 
ATOM     18  C   LIG    1       -0.723  -0.956   0.477  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        0.309  -1.153   1.597  0.00  0.00    +0.075 C 
ATOM     20  C   LIG    1        0.191  -2.542   2.217  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -1.221  -2.786   2.725  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -2.260  -2.592   1.624  0.00  0.00    +0.019 C 
BRANCH  17  28
ATOM     23  C   LIG    1       -6.081   2.625  -1.471  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1       -6.324   1.230  -0.953  0.00  0.00    +0.213 C 
ATOM     25  N   LIG    1       -5.472   0.234  -1.404  0.00  0.00    -0.299 N 
ATOM     26  C   LIG    1       -4.135   0.478  -1.934  0.00  0.00    +0.123 C 
ATOM     27  C   LIG    1       -3.074   0.263  -0.831  0.00  0.00    +0.103 C 
ATOM     28  N   LIG    1       -3.153  -1.072  -0.174  0.00  0.00    -0.296 NA
ATOM     29  C   LIG    1       -4.555  -1.319   0.275  0.00  0.00    +0.103 C 
ATOM     30  C   LIG    1       -5.603  -1.103  -0.837  0.00  0.00    +0.123 C 
ATOM     31  O   LIG    1       -7.252   1.013  -0.173  0.00  0.00    -0.276 OA
ENDBRANCH  17  28
ENDBRANCH   1  19
TORSDOF 3