REMARK  Name = BDB062204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.373  -2.530  -2.486  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.490  -1.621  -1.690  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.566  -0.886  -0.943  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.863  -1.191  -1.071  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.017   0.108  -0.186  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.295  -0.009  -0.409  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1       -1.622  -1.004  -1.270  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.534  -1.202  -1.640  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.992  -0.523  -0.404  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        4.207  -0.414  -1.099  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        5.277   0.180  -0.460  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        6.514   0.369  -0.992  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        7.186   1.016   0.108  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.347   1.194   1.269  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.183   0.649   0.828  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        4.015   0.548   1.550  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        2.914  -0.050   0.925  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.222   0.826   0.134  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -1.809   1.594   0.654  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.554   0.560   0.496  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1       -4.085  -0.730   0.611  0.00  0.00    +0.065 A 
ATOM     22  C   LIG    1       -5.428  -0.907   0.934  0.00  0.00    +0.166 A 
ATOM     23  F   LIG    1       -5.924  -2.147   1.053  0.00  0.00    -0.202 F 
ATOM     24  C   LIG    1       -6.264   0.184   1.139  0.00  0.00    +0.152 A 
ATOM     25  C   LIG    1       -5.765   1.471   1.024  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1       -4.416   1.655   0.702  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  O   LIG    1       -7.581   0.016   1.454  0.00  0.00    -0.504 OA
ATOM     28  H   LIG    1       -7.745  -0.945   1.497  0.00  0.00    +0.292 HD
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4