REMARK  Name = BDB056912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.751   2.677  -1.607  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -3.758   1.557  -1.093  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1       -4.969   1.125  -0.375  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -5.394  -0.190  -0.256  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -6.616  -0.483   0.378  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -7.402   0.535   0.916  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -6.980   1.854   0.810  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.650  -1.330  -0.794  0.00  0.00    +0.196 A 
ATOM      9  O   LIG    1       -5.264  -2.231  -1.360  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1       -3.213  -1.488  -0.530  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -2.266  -0.472  -0.699  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -0.888  -0.791  -0.518  0.00  0.00    +0.063 A 
ATOM     13  C   LIG    1       -0.522  -2.099  -0.136  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -1.478  -3.091   0.042  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -2.816  -2.788  -0.166  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1       -5.778   2.147   0.163  0.00  0.00    +0.014 A 
ATOM     17  N   LIG    1       -2.602   0.830  -1.119  0.00  0.00    -0.321 N 
ATOM     18  H   LIG    1       -1.833   1.420  -1.444  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  12  19
ATOM     19  C   LIG    1        0.168   0.206  -0.714  0.00  0.00    +0.251 A 
ATOM     20  O   LIG    1        1.454  -0.160  -0.427  0.00  0.00    -0.416 OA
ATOM     21  C   LIG    1        2.182   0.983  -0.716  0.00  0.00    +0.242 A 
ATOM     22  N   LIG    1        1.372   1.943  -1.140  0.00  0.00    -0.108 NA
ATOM     23  N   LIG    1        0.089   1.448  -1.139  0.00  0.00    -0.107 NA
BRANCH  21  24
ATOM     24  C   LIG    1        3.591   1.090  -0.569  0.00  0.00    +0.070 C 
ATOM     25  C   LIG    1        4.336   0.063  -0.133  0.00  0.00    +0.013 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.796   0.127   0.025  0.00  0.00    -0.025 A 
ATOM     27  C   LIG    1        6.444   1.261   0.534  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        7.832   1.272   0.696  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.584   0.148   0.361  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.949  -0.990  -0.131  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.561  -1.002  -0.292  0.00  0.00    +0.008 A 
ENDBRANCH  25  26
ENDBRANCH  21  24
ENDBRANCH  12  19
TORSDOF 3