REMARK  Name = BDB024547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.605  -0.065  -0.621  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.553   0.638  -0.017  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.906   1.943   0.562  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.651   3.081  -0.433  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.218   2.146   1.908  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.713   2.075   1.761  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.277   0.912   0.913  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.923   0.504   0.948  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.105   1.017   1.692  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1       -1.188   0.328   1.375  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -0.880  -0.663   0.458  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.469  -0.531   0.148  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.314  -1.189  -0.745  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.655  -0.778  -0.785  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.169   0.235   0.041  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.695   0.442  -0.880  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.737  -1.680  -0.146  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1       -2.572  -1.145  -1.319  0.00  0.00    +0.056 C 
ATOM     19  C   LIG    1       -3.828  -1.981  -1.583  0.00  0.00    +0.117 C 
ATOM     20  C   LIG    1       -3.583  -3.465  -1.325  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -3.167  -3.748   0.120  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -2.555  -2.535   0.829  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  O   LIG    1       -4.223  -1.786  -2.937  0.00  0.00    -0.392 OA
ATOM     24  H   LIG    1       -5.062  -2.260  -3.067  0.00  0.00    +0.210 HD
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        6.455  -2.119  -1.378  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        5.359  -1.389  -0.827  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.533   0.642   1.962  0.00  0.00    +0.199 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.365   1.426   1.049  0.00  0.00    -0.308 N 
ATOM     29  C   LIG    1       -4.649   0.971   0.760  0.00  0.00    +0.252 A 
ATOM     30  O   LIG    1       -5.130  -0.081   1.173  0.00  0.00    -0.268 OA
ATOM     31  C   LIG    1       -5.468   1.836  -0.134  0.00  0.00    +0.070 A 
ATOM     32  C   LIG    1       -4.976   2.997  -0.584  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -3.657   3.426  -0.203  0.00  0.00    +0.018 A 
ATOM     34  C   LIG    1       -2.905   2.653   0.588  0.00  0.00    +0.089 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5