REMARK  Name = BDB059809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.509  -0.841  -1.163  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1        2.346  -0.245  -0.283  0.00  0.00    -0.228 NA
ATOM      3  C   LIG    1        3.620   0.043  -0.680  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        4.067  -0.291  -1.954  0.00  0.00    +0.166 A 
ATOM      5  N   LIG    1        3.258  -0.901  -2.861  0.00  0.00    -0.239 NA
ATOM      6  C   LIG    1        1.997  -1.166  -2.431  0.00  0.00    +0.155 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -3.827  -1.525   0.191  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -2.583  -0.899   0.129  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -1.514  -1.447   0.999  0.00  0.00    +0.090 C 
ATOM     10  C   LIG    1       -1.821  -1.168   2.473  0.00  0.00    +0.029 C 
ATOM     11  C   LIG    1       -0.115  -0.876   0.651  0.00  0.00    +0.128 C 
ATOM     12  N   LIG    1        0.217  -1.141  -0.759  0.00  0.00    -0.311 N 
ATOM     13  C   LIG    1       -0.891  -1.059  -1.723  0.00  0.00    +0.125 C 
ATOM     14  C   LIG    1       -2.114  -0.322  -1.135  0.00  0.00    +0.127 C 
ATOM     15  O   LIG    1       -3.970  -2.669   0.611  0.00  0.00    -0.275 OA
BRANCH   7  18
ATOM     16  C   LIG    1       -6.195   1.590  -0.263  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1       -5.172   0.616  -0.746  0.00  0.00    -0.002 C 
ATOM     18  C   LIG    1       -5.066  -0.740  -0.094  0.00  0.00    +0.078 C 
ATOM     19  C   LIG    1       -5.608  -0.617  -1.498  0.00  0.00    +0.017 C 
ENDBRANCH   7  18
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1        4.413   0.688   0.353  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        5.403   1.635   0.184  0.00  0.00    +0.118 A 
ATOM     22  N   LIG    1        5.841   1.962   1.438  0.00  0.00    -0.274 N 
ATOM     23  C   LIG    1        6.888   2.895   1.777  0.00  0.00    +0.172 C 
ATOM     24  N   LIG    1        5.178   1.324   2.417  0.00  0.00    -0.179 NA
ATOM     25  C   LIG    1        4.301   0.564   1.758  0.00  0.00    +0.144 A 
ENDBRANCH   3  20
BRANCH   4  26
ATOM     26  C   LIG    1        5.407  -0.065  -2.410  0.00  0.00    +0.121 C 
ATOM     27  N   LIG    1        6.494   0.137  -2.771  0.00  0.00    -0.189 NA
ENDBRANCH   4  26
TORSDOF 4