REMARK  Name = BDB020821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.804  -0.330   0.203  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -1.345   0.985   0.289  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -2.710   1.102   0.398  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -2.955   2.442   0.493  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.826   3.109   0.414  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -3.582   0.006   0.402  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -3.085  -1.198   0.312  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.808   2.190   0.287  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.714  -1.332   0.209  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        4.849  -0.963  -0.030  0.00  0.00    +0.230 C 
ATOM     11  N   LIG    1        3.452  -0.924  -0.127  0.00  0.00    -0.296 N 
ATOM     12  C   LIG    1        2.737  -0.406  -1.292  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        1.411   0.243  -0.895  0.00  0.00    +0.054 C 
ATOM     14  C   LIG    1        0.629  -0.613   0.072  0.00  0.00    -0.036 C 
ATOM     15  C   LIG    1        1.261  -1.569   0.780  0.00  0.00    -0.004 C 
ATOM     16  C   LIG    1        2.728  -1.878   0.703  0.00  0.00    +0.135 C 
ATOM     17  O   LIG    1        5.406  -1.740   0.750  0.00  0.00    -0.274 OA
BRANCH  10  18
ATOM     18  C   LIG    1        5.626   0.019  -0.934  0.00  0.00    +0.180 C 
BRANCH  18  20
ATOM     19  C   LIG    1        7.783   0.842  -1.640  0.00  0.00    +0.105 C 
ATOM     20  N   LIG    1        7.063   0.122  -0.589  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1        7.254   0.798   0.697  0.00  0.00    +0.105 C 
ENDBRANCH  18  20
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   6  22
ATOM     22  N   LIG    1       -4.937   0.230   0.502  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1       -5.308   1.129   0.212  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -5.897  -0.842   0.285  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -7.311  -0.387   0.400  0.00  0.00    +0.122 A 
ATOM     26  O   LIG    1       -7.628   0.782  -0.236  0.00  0.00    -0.466 OA
ATOM     27  C   LIG    1       -8.947   1.011  -0.007  0.00  0.00    +0.195 A 
ATOM     28  C   LIG    1       -9.483   0.010   0.768  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1       -8.426  -0.895   1.033  0.00  0.00    +0.046 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6