REMARK  Name = BDB028572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.725   0.955   0.183  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.337  -0.428   0.140  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1       -1.183  -0.918   0.074  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        0.401   1.783   0.810  0.00  0.00    +0.266 C 
BRANCH   4   5
ATOM      5  O   LIG    1        1.507   1.821  -0.106  0.00  0.00    -0.448 OA
BRANCH   5   9
ATOM      6  C   LIG    1        5.333   1.581  -1.472  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        3.822   1.407  -1.630  0.00  0.00    +0.125 C 
ATOM      8  N   LIG    1        3.669   2.298  -0.491  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1        2.640   2.369   0.404  0.00  0.00    +0.403 C 
ATOM     10  O   LIG    1        2.733   2.858   1.522  0.00  0.00    -0.226 OA
ATOM     11  C   LIG    1        5.090   2.387  -0.195  0.00  0.00    +0.125 C 
BRANCH   6  14
ATOM     12  C   LIG    1        7.057  -1.828  -0.777  0.00  0.00    +0.131 C 
ATOM     13  N   LIG    1        6.148  -0.702  -0.604  0.00  0.00    -0.307 N 
ATOM     14  C   LIG    1        6.290   0.386  -1.481  0.00  0.00    +0.221 C 
ATOM     15  O   LIG    1        7.230   0.390  -2.296  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        4.990  -0.976   0.234  0.00  0.00    +0.131 C 
ENDBRANCH   6  14
ENDBRANCH   5   9
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -2.025   1.073   1.005  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.056   0.123   0.527  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -4.107  -0.028   1.558  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -5.287  -0.863   1.110  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -5.558  -1.055  -0.255  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -6.675  -1.807  -0.646  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -7.532  -2.344   0.314  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.278  -2.139   1.668  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.613  -0.507  -1.292  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -6.163  -1.401   2.065  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.682   0.576  -0.730  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7