REMARK  Name = BDB000109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.853  -0.268   0.364  0.00  0.00    +0.219 C 
ATOM      2  N   LIG    1       -3.597  -0.175   0.907  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1       -2.295  -0.055   0.201  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1       -1.353  -0.034   1.323  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.016  -0.063   2.547  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1       -1.209  -0.043   3.600  0.00  0.00    -0.175 NA
ATOM      7  N   LIG    1        0.017   0.004   3.013  0.00  0.00    -0.263 N 
ATOM      8  H   LIG    1        0.855   0.037   3.591  0.00  0.00    +0.190 HD
ATOM      9  C   LIG    1       -0.023   0.007   1.628  0.00  0.00    +0.126 A 
ATOM     10  C   LIG    1       -3.478  -0.117   2.395  0.00  0.00    +0.165 C 
ATOM     11  O   LIG    1       -5.848  -0.280   1.098  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        1.092   0.045   0.816  0.00  0.00    -0.266 N 
ATOM     13  H   LIG    1        0.951   0.081  -0.185  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        2.369   0.120   1.347  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1        2.627   0.192   2.546  0.00  0.00    -0.270 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.480   0.142   0.357  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        4.626   0.887   0.668  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1        5.650   0.902  -0.254  0.00  0.00    +0.167 A 
ATOM     19  O   LIG    1        6.825   1.573  -0.125  0.00  0.00    -0.453 OA
ATOM     20  C   LIG    1        7.483   1.214  -1.358  0.00  0.00    +0.466 C 
ATOM     21  O   LIG    1        6.687   0.353  -2.201  0.00  0.00    -0.453 OA
ATOM     22  C   LIG    1        5.571   0.207  -1.438  0.00  0.00    +0.166 A 
ATOM     23  C   LIG    1        4.466  -0.549  -1.766  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        3.406  -0.585  -0.853  0.00  0.00    +0.017 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
BRANCH   1  26
ATOM     25  C   LIG    1       -4.460   0.711  -1.983  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -5.057  -0.412  -1.145  0.00  0.00    +0.069 C 
ATOM     27  C   LIG    1       -4.656  -1.794  -1.648  0.00  0.00    +0.017 C 
ENDBRANCH   1  26
TORSDOF 3