REMARK  Name = BDB012194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.424  -0.560  -3.679  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.324   0.176  -2.696  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.718   0.048  -1.774  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1        1.116   1.131  -0.873  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1        1.797   0.618   0.391  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1        2.953  -0.330   0.047  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1        2.427  -1.481  -0.818  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1        1.744  -0.951  -2.072  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        3.664  -0.832   1.272  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1        5.058  -0.767   1.556  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        5.196  -1.372   2.800  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1        6.426  -1.515   3.450  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        7.554  -1.016   2.792  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        7.450  -0.405   1.542  0.00  0.00    +0.001 A 
ATOM     15  N   LIG    1        3.930  -1.745   3.159  0.00  0.00    -0.277 N 
ATOM     16  H   LIG    1        3.645  -2.219   4.008  0.00  0.00    +0.189 HD
ATOM     17  C   LIG    1        6.207  -0.273   0.910  0.00  0.00    +0.012 A 
ATOM     18  N   LIG    1        2.984  -1.432   2.259  0.00  0.00    -0.177 NA
ENDBRANCH   6   9
BRANCH   2  19
ATOM     19  C   LIG    1       -1.340   1.282  -2.438  0.00  0.00    +0.096 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.550   1.228  -3.378  0.00  0.00    +0.017 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.500   0.063  -3.082  0.00  0.00    +0.075 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.280   0.296  -1.809  0.00  0.00    +0.110 A 
ATOM     23  N   LIG    1       -5.355   1.138  -1.910  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -5.615   1.545  -2.797  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -6.154   1.468  -0.846  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1       -7.114   2.221  -0.961  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -5.779   0.862   0.442  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1       -4.662   0.021   0.455  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1       -4.282  -0.565   1.664  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -5.005  -0.314   2.834  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -6.119   0.528   2.805  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -6.510   1.121   1.605  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1       -3.909  -0.253  -0.699  0.00  0.00    -0.234 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 5