REMARK  Name = BDB024567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.428  -0.241  -0.923  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.419   0.287  -0.094  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.762   1.399   0.819  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.678   2.750   0.096  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.937   1.367   2.102  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.464   1.453   1.780  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.078   0.446   0.736  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.719   0.068   0.627  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.351   0.514   1.359  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.412  -0.123   0.904  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.053  -1.000  -0.109  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.312  -0.870  -0.308  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.218  -1.469  -1.181  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.564  -1.070  -1.088  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.027  -0.123  -0.158  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.325  -1.171  -1.718  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.911  -1.942  -0.837  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -3.040  -1.242  -1.637  0.00  0.00    +0.106 C 
ATOM     19  N   LIG    1       -4.407  -1.775  -1.588  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -5.097  -1.012  -1.571  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -4.689  -2.781  -0.572  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -3.580  -3.811  -0.469  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1       -2.328  -3.127   0.051  0.00  0.00    +0.027 C 
ENDBRANCH  11  17
BRANCH   1  25
ATOM     24  C   LIG    1        7.687  -0.071  -1.577  0.00  0.00    +0.282 C 
ATOM     25  O   LIG    1        6.621   0.410  -0.757  0.00  0.00    -0.453 OA
ENDBRANCH   1  25
BRANCH  10  26
ATOM     26  C   LIG    1       -2.792   0.098   1.458  0.00  0.00    +0.109 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.614   1.183   0.786  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1       -3.034   2.324   0.211  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -3.827   3.306  -0.389  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.211   3.171  -0.397  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.808   2.046   0.176  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.016   1.064   0.771  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  10  26
TORSDOF 4