REMARK  Name = BDB040784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.924  -1.397   2.494  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        0.015  -0.163   2.630  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -0.992  -0.939   1.945  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1       -0.003  -1.789   1.329  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.173  -0.452   1.350  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.806  -1.158   0.322  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -3.986  -0.681  -0.251  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -4.561  -1.416  -1.212  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -4.581   0.507   0.171  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -3.952   1.192   1.212  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -4.497   2.322   1.686  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -2.772   0.729   1.796  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -5.866   1.052  -0.415  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -5.998   0.839  -1.917  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -5.287   1.426  -2.732  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -6.932  -0.074  -2.342  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -6.979  -0.217  -3.341  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -7.646  -0.966  -1.582  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -8.328  -1.842  -2.107  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -7.497  -0.852  -0.085  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -7.116   0.562   0.324  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  N   LIG    1        2.303  -1.166   2.168  0.00  0.00    -0.292 N 
ATOM     23  H   LIG    1        2.944  -1.865   2.525  0.00  0.00    +0.151 HD
BRANCH  22  26
ATOM     24  C   LIG    1        4.303   0.388  -0.083  0.00  0.00    +0.250 A 
ATOM     25  O   LIG    1        4.121  -0.502   0.945  0.00  0.00    -0.405 OA
ATOM     26  C   LIG    1        2.781  -0.386   1.185  0.00  0.00    +0.308 A 
ATOM     27  N   LIG    1        2.198   0.480   0.388  0.00  0.00    -0.092 NA
ATOM     28  N   LIG    1        3.182   0.984  -0.437  0.00  0.00    -0.106 NA
BRANCH  24  33
ATOM     29  C   LIG    1        9.620   1.023  -2.269  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        8.249   0.873  -1.678  0.00  0.00    -0.050 A 
ATOM     31  C   LIG    1        7.168   1.586  -2.206  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        5.885   1.423  -1.676  0.00  0.00    +0.013 A 
ATOM     33  C   LIG    1        5.652   0.537  -0.614  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1        6.738  -0.186  -0.099  0.00  0.00    +0.013 A 
ATOM     35  C   LIG    1        8.022  -0.023  -0.629  0.00  0.00    +0.004 A 
ENDBRANCH  24  33
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 5