REMARK  Name = BDB027821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.085   0.862  -0.058  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.599   2.199   0.040  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        0.771   2.391   0.305  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        1.217   3.702   0.374  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.457   4.818   0.222  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.849   4.610  -0.005  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.633   1.379   0.498  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1        1.161   0.116   0.456  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -1.413   3.348  -0.102  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -0.177  -0.166   0.194  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.137  -0.945   0.719  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        3.369  -0.985   0.025  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        4.236  -2.034   0.316  0.00  0.00    +0.139 A 
ATOM     14  N   LIG    1        5.355  -1.891  -0.457  0.00  0.00    -0.346 N 
ATOM     15  H   LIG    1        6.138  -2.527  -0.425  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1        5.236  -0.781  -1.251  0.00  0.00    +0.085 A 
ATOM     17  N   LIG    1        4.052  -3.036   1.194  0.00  0.00    -0.237 NA
ATOM     18  C   LIG    1        2.872  -2.954   1.843  0.00  0.00    +0.114 A 
ATOM     19  C   LIG    1        4.017  -0.199  -0.975  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        1.909  -1.972   1.652  0.00  0.00    +0.030 A 
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  N   LIG    1       -2.440   0.647  -0.320  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1       -2.764   1.303  -1.028  0.00  0.00    +0.147 HD
BRANCH  21  24
ATOM     23  C   LIG    1       -2.759  -1.493  -1.545  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -3.205  -0.611  -0.373  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -3.172  -1.359   0.967  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1       -4.677  -0.205  -0.627  0.00  0.00    +0.031 C 
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 3