REMARK  Name = BDB021914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.288   2.005  -1.642  0.00  0.00    +0.024 C 
ATOM      2  C   LIG    1       -1.953   2.047  -0.263  0.00  0.00    +0.056 C 
ATOM      3  N   LIG    1       -2.743   0.811  -0.109  0.00  0.00    -0.295 NA
ATOM      4  C   LIG    1       -2.300  -0.061   0.987  0.00  0.00    +0.087 C 
ATOM      5  C   LIG    1       -0.787  -0.244   0.953  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1       -0.063   1.081   1.204  0.00  0.00    +0.077 C 
ATOM      7  C   LIG    1       -0.934   2.294   0.861  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1        1.221   1.129   0.512  0.00  0.00    -0.296 N 
ATOM      9  H   LIG    1        1.194   1.202  -0.495  0.00  0.00    +0.151 HD
ATOM     10  C   LIG    1        2.297   0.420   0.981  0.00  0.00    +0.300 C 
ATOM     11  N   LIG    1        3.354   0.505   0.116  0.00  0.00    -0.288 N 
ATOM     12  H   LIG    1        3.413   1.377  -0.399  0.00  0.00    +0.151 HD
ATOM     13  O   LIG    1        2.316  -0.210   2.029  0.00  0.00    -0.253 OA
BRANCH  11  14
ATOM     14  C   LIG    1        4.641  -0.075   0.471  0.00  0.00    +0.160 C 
ATOM     15  C   LIG    1        5.729   0.584  -0.393  0.00  0.00    +0.233 C 
ATOM     16  O   LIG    1        5.569   1.639  -1.002  0.00  0.00    -0.274 OA
ATOM     17  N   LIG    1        6.934  -0.075  -0.405  0.00  0.00    -0.314 N 
ATOM     18  H   LIG    1        7.695   0.405  -0.871  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        7.184  -1.167   0.501  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1        6.063  -2.201   0.451  0.00  0.00    +0.021 C 
ATOM     21  C   LIG    1        4.670  -1.589   0.245  0.00  0.00    +0.033 C 
ENDBRANCH  11  14
ENDBRANCH   6   8
BRANCH   3  22
ATOM     22  C   LIG    1       -4.188   1.091  -0.045  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.056  -0.136  -0.230  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1       -5.976  -0.516   0.758  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -6.783  -1.641   0.578  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.681  -2.394  -0.591  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.773  -2.025  -1.581  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.966  -0.900  -1.402  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 4