REMARK  Name = BDB006072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.830   2.103  -0.346  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -5.748   1.536  -0.450  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -5.371   0.446   0.459  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -4.134  -0.146   0.279  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -3.676  -1.191   1.091  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -2.411  -1.801   0.917  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.658  -1.346  -0.051  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -2.063  -0.325  -0.885  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -1.442  -0.007  -1.617  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.517  -1.636   2.112  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -5.775  -1.048   2.308  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.260   0.330  -0.796  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -3.594   1.296  -1.600  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -6.205  -0.005   1.481  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -4.821   1.876  -1.414  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -5.067   2.627  -2.050  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.272  -1.961  -0.270  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.734  -1.316   0.594  0.00  0.00    -0.292 NA
ATOM     19  C   LIG    1        0.929   0.117   0.280  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1        2.285   0.696   0.751  0.00  0.00    +0.122 C 
ATOM     21  N   LIG    1        3.413  -0.040   0.154  0.00  0.00    -0.313 N 
ATOM     22  C   LIG    1        3.112  -1.397  -0.328  0.00  0.00    +0.122 C 
ATOM     23  C   LIG    1        2.023  -2.049   0.553  0.00  0.00    +0.104 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.360   0.666  -0.582  0.00  0.00    +0.121 A 
ATOM     25  N   LIG    1        4.824   0.133  -1.735  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        5.758   0.815  -2.436  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1        6.284   2.030  -2.044  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.827   2.573  -0.854  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.864   1.883  -0.118  0.00  0.00    +0.043 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 3