REMARK  Name = BDB024602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.459  -1.094   0.474  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.631   0.036   0.593  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.258   1.260   1.138  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.237   1.885   0.131  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.270   2.353   1.575  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.044   1.741   2.217  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.397   0.853   1.193  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.999   0.815   1.011  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.032   1.556   1.641  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.115   1.214   1.084  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.924   0.163   0.207  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.434  -0.033   0.062  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.224  -0.825  -0.775  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.612  -0.784  -0.585  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.210   0.015   0.398  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.675  -1.064   0.646  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.992  -0.516  -0.570  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -3.165  -1.052   0.302  0.00  0.00    +0.033 C 
ATOM     19  C   LIG    1       -3.230  -2.286  -0.640  0.00  0.00    -0.012 C 
ATOM     20  C   LIG    1       -3.543  -3.642  -0.009  0.00  0.00    +0.088 C 
ATOM     21  N   LIG    1       -4.607  -4.245  -0.831  0.00  0.00    -0.315 NA
ATOM     22  H   LIG    1       -5.509  -3.962  -0.445  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -4.461  -3.631  -2.156  0.00  0.00    +0.081 C 
ATOM     24  C   LIG    1       -4.161  -2.175  -1.846  0.00  0.00    +0.023 C 
ATOM     25  C   LIG    1       -1.723  -2.008  -0.917  0.00  0.00    +0.033 C 
ENDBRANCH  11  17
BRANCH   1  27
ATOM     26  C   LIG    1        5.627  -3.417   0.159  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        4.795  -2.258   0.219  0.00  0.00    -0.453 OA
ENDBRANCH   1  27
BRANCH  10  28
ATOM     28  C   LIG    1       -2.415   1.912   1.348  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.984   2.639   0.148  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -2.183   3.494  -0.626  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -2.717   4.171  -1.723  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.062   4.014  -2.052  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.875   3.188  -1.279  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.342   2.510  -0.181  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 4