REMARK  Name = BDB020545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.014  -0.974   1.649  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        1.291  -0.450   1.300  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1        2.391  -0.699   2.145  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1        3.629  -0.248   1.881  0.00  0.00    -0.245 NA
ATOM      5  C   LIG    1        3.855   0.481   0.756  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1        2.839   0.798  -0.135  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1        2.200  -1.442   3.300  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.949  -1.947   3.655  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        1.555   0.318   0.144  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -0.144  -1.710   2.831  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -3.391  -5.126   0.231  0.00  0.00    +0.132 C 
ATOM     12  N   LIG    1       -3.223  -3.709  -0.043  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1       -4.133  -3.102  -0.904  0.00  0.00    +0.235 C 
ATOM     14  O   LIG    1       -5.096  -3.708  -1.380  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -3.929  -1.637  -1.246  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1       -2.892  -1.002  -0.463  0.00  0.00    -0.320 N 
ATOM     17  C   LIG    1       -1.932  -1.706   0.212  0.00  0.00    +0.064 A 
ATOM     18  C   LIG    1       -1.153  -0.745   0.817  0.00  0.00    +0.094 A 
ATOM     19  N   LIG    1       -1.597   0.511   0.484  0.00  0.00    -0.232 NA
ATOM     20  C   LIG    1       -2.652   0.339  -0.291  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -1.879  -3.176   0.129  0.00  0.00    +0.163 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -3.449   1.437  -0.933  0.00  0.00    +0.059 C 
ATOM     23  C   LIG    1       -3.600   2.640  -0.000  0.00  0.00    +0.039 C 
ATOM     24  C   LIG    1       -4.430   3.735  -0.667  0.00  0.00    +0.160 C 
ATOM     25  O   LIG    1       -4.391   3.676  -2.095  0.00  0.00    -0.380 OA
ATOM     26  C   LIG    1       -3.101   3.329  -2.586  0.00  0.00    +0.160 C 
ATOM     27  C   LIG    1       -2.799   1.871  -2.256  0.00  0.00    +0.039 C 
ENDBRANCH  20  22
ENDBRANCH   1  18
BRANCH   5  28
ATOM     28  C   LIG    1        5.244   0.893   0.617  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        5.967   1.026  -0.552  0.00  0.00    +0.118 A 
ATOM     30  N   LIG    1        7.226   1.408  -0.183  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        8.338   1.694  -1.058  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        7.391   1.497   1.147  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.192   1.165   1.632  0.00  0.00    +0.144 A 
ENDBRANCH   5  28
BRANCH   6  34
ATOM     34  C   LIG    1        3.028   1.607  -1.298  0.00  0.00    +0.101 C 
ATOM     35  N   LIG    1        3.158   2.245  -2.260  0.00  0.00    -0.191 NA
ENDBRANCH   6  34
TORSDOF 4