REMARK  Name = BDB029293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.187  -1.048   1.109  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.668  -0.059   0.598  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.004   0.094   1.031  0.00  0.00    -0.039 A 
ATOM      4  C   LIG    1       -2.443  -0.810   2.017  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.607  -1.799   2.535  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.294  -1.917   2.082  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.987   1.219   0.404  0.00  0.00    +0.006 C 
ATOM      8  C   LIG    1       -3.950   1.954   1.404  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -3.522   3.328   0.831  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1       -3.115   4.337   1.903  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1       -2.320   2.619   0.155  0.00  0.00    +0.033 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -4.461   3.927  -0.107  0.00  0.00    +0.069 C 
ATOM     13  N   LIG    1       -5.183   4.410  -0.876  0.00  0.00    -0.196 NA
ENDBRANCH   9  12
BRANCH   7  14
ATOM     14  C   LIG    1       -3.665   0.657  -0.871  0.00  0.00    +0.088 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.536  -0.522  -0.594  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1       -4.275  -1.815  -0.969  0.00  0.00    -0.320 N 
ATOM     17  C   LIG    1       -3.150  -2.311  -1.713  0.00  0.00    +0.151 C 
ATOM     18  C   LIG    1       -5.303  -2.564  -0.486  0.00  0.00    +0.224 A 
ATOM     19  N   LIG    1       -6.154  -1.788   0.142  0.00  0.00    -0.138 NA
ATOM     20  N   LIG    1       -5.676  -0.503   0.068  0.00  0.00    -0.135 NA
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   3   7
BRANCH   1  22
ATOM     21  C   LIG    1        2.510  -1.978   0.911  0.00  0.00    +0.267 C 
ATOM     22  N   LIG    1        1.494  -1.095   0.593  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1        1.757  -0.397  -0.099  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        2.462  -2.914   1.698  0.00  0.00    -0.268 OA
BRANCH  21  30
ATOM     25  C   LIG    1        7.273  -2.913  -0.204  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1        5.999  -2.138  -0.352  0.00  0.00    +0.042 A 
ATOM     27  N   LIG    1        5.995  -1.109  -1.226  0.00  0.00    -0.237 NA
ATOM     28  C   LIG    1        4.864  -0.390  -1.378  0.00  0.00    +0.133 A 
ATOM     29  N   LIG    1        3.731  -0.655  -0.706  0.00  0.00    -0.227 NA
ATOM     30  C   LIG    1        3.779  -1.696   0.162  0.00  0.00    +0.129 A 
ATOM     31  C   LIG    1        4.889  -2.477   0.382  0.00  0.00    +0.056 A 
BRANCH  28  32
ATOM     32  C   LIG    1        4.869   0.758  -2.357  0.00  0.00    +0.057 C 
ATOM     33  C   LIG    1        4.402   2.131  -1.927  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1        5.858   1.890  -2.190  0.00  0.00    +0.012 C 
ENDBRANCH  28  32
ENDBRANCH  21  30
ENDBRANCH   1  22
TORSDOF 7