REMARK  Name = BDB028498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.258  -1.314   2.573  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -0.858  -0.247   2.462  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.085   0.001   3.050  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -2.664   1.343   3.202  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1       -3.890   1.594   2.300  0.00  0.00    +0.127 C 
ATOM      6  N   LIG    1       -4.192   0.479   1.402  0.00  0.00    -0.296 N 
ATOM      7  C   LIG    1       -3.499   0.445   0.187  0.00  0.00    +0.247 C 
ATOM      8  O   LIG    1       -2.607   1.245  -0.096  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -4.801  -0.721   1.999  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -4.353  -1.013   3.438  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -2.833  -1.131   3.592  0.00  0.00    +0.111 C 
ATOM     12  N   LIG    1       -0.361   0.785   1.712  0.00  0.00    -0.297 N 
ATOM     13  H   LIG    1       -1.083   1.249   1.163  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1       -3.868  -0.588  -0.805  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -5.191  -0.698  -1.250  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -5.523  -1.670  -2.193  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.537  -2.522  -2.694  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -3.216  -2.403  -2.257  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.877  -1.431  -1.315  0.00  0.00    +0.013 A 
ENDBRANCH   7  14
BRANCH  12  20
ATOM     20  C   LIG    1        0.934   0.681   1.047  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1        0.881  -0.142  -0.252  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1        0.634  -1.537  -0.009  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        0.495  -1.650   0.957  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        2.145  -0.005  -1.138  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.415  -0.417  -0.496  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        4.323  -1.053  -1.468  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        5.121  -0.055  -2.272  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        5.754   0.978  -1.560  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        6.559   1.901  -2.227  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        6.716   1.804  -3.611  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.080   0.784  -4.322  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.538   0.995  -0.071  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        5.287  -0.150  -3.654  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        4.061   0.686   0.256  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  12  20
TORSDOF 6