REMARK  Name = BDB044317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.552  -0.436   0.992  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.191   0.098  -0.100  0.00  0.00    +0.132 A 
ATOM      3  N   LIG    1       -2.538  -0.034   0.127  0.00  0.00    -0.262 N 
ATOM      4  N   LIG    1       -2.809  -0.631   1.311  0.00  0.00    -0.177 NA
ATOM      5  C   LIG    1       -1.601  -0.868   1.830  0.00  0.00    +0.157 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        1.817  -0.123   0.398  0.00  0.00    +0.269 C 
ATOM      7  N   LIG    1        0.799  -0.537   1.235  0.00  0.00    -0.278 N 
ATOM      8  H   LIG    1        1.111  -0.957   2.107  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1        1.686   0.397  -0.706  0.00  0.00    -0.268 OA
BRANCH   6  15
ATOM     10  C   LIG    1        7.241  -1.458  -1.022  0.00  0.00    +0.011 C 
ATOM     11  C   LIG    1        7.251  -0.171  -0.173  0.00  0.00    -0.029 C 
ATOM     12  C   LIG    1        6.804  -0.487   1.290  0.00  0.00    +0.061 C 
ATOM     13  C   LIG    1        5.322  -0.556   1.373  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        4.419  -0.097   0.444  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.143  -0.387   0.992  0.00  0.00    +0.151 A 
ATOM     16  N   LIG    1        3.266  -0.981   2.204  0.00  0.00    -0.169 NA
ATOM     17  C   LIG    1        4.824   0.524  -0.843  0.00  0.00    +0.040 C 
ATOM     18  N   LIG    1        4.597  -1.067   2.401  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1        4.933  -1.485   3.263  0.00  0.00    +0.189 HD
ATOM     20  C   LIG    1        6.320   0.909  -0.816  0.00  0.00    +0.011 C 
ATOM     21  C   LIG    1        8.692   0.371  -0.144  0.00  0.00    +0.011 C 
ENDBRANCH   6  15
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  C   LIG    1       -3.601   0.379  -0.798  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.821  -0.580  -0.928  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1       -4.406  -2.011  -1.306  0.00  0.00    +0.021 C 
ATOM     25  C   LIG    1       -5.633  -2.889  -1.579  0.00  0.00    +0.081 C 
ATOM     26  N   LIG    1       -6.787  -2.626  -0.713  0.00  0.00    -0.316 NA
ATOM     27  H   LIG    1       -7.440  -2.016  -1.203  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -6.391  -1.976   0.535  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1       -5.790  -0.593   0.275  0.00  0.00    +0.021 C 
ENDBRANCH  22  23
BRANCH  22  30
ATOM     30  C   LIG    1       -4.010   1.837  -0.598  0.00  0.00    -0.023 A 
ATOM     31  C   LIG    1       -4.283   2.635  -1.724  0.00  0.00    +0.006 A 
ATOM     32  C   LIG    1       -4.679   3.966  -1.580  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.813   4.520  -0.310  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.555   3.743   0.817  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -4.159   2.411   0.675  0.00  0.00    +0.006 A 
ENDBRANCH  22  30
ENDBRANCH   3  22
TORSDOF 5