REMARK  Name = BDB040854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.421   0.012  -0.780  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        2.085  -1.285  -1.393  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.789  -1.182  -2.232  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.406  -0.691  -1.512  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.023   0.154  -0.357  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.298   0.936  -0.546  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.334   0.916   0.351  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        6.023  -0.388   0.160  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.742  -0.643  -0.203  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.453  -1.947  -0.353  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.721   0.315  -0.399  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.124   1.642  -0.185  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.431   1.954   0.192  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.948   0.170   1.171  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.537   0.089   0.911  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.111  -0.799   0.657  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.749   1.209   0.750  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.144   2.359   0.904  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.278  -1.802  -1.099  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.612  -1.339  -0.544  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -2.983  -1.685   0.780  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -4.226  -1.253   1.282  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.955  -1.390   2.498  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -6.160  -0.722   2.355  0.00  0.00    +0.088 A 
ATOM     25  N   LIG    1       -6.171  -0.168   1.107  0.00  0.00    -0.334 N 
ATOM     26  C   LIG    1       -7.195   0.642   0.451  0.00  0.00    +0.170 C 
ATOM     27  C   LIG    1       -6.849   0.987  -1.023  0.00  0.00    +0.240 C 
ATOM     28  N   LIG    1       -5.641   0.593  -1.560  0.00  0.00    -0.282 N 
ATOM     29  H   LIG    1       -5.461   0.854  -2.520  0.00  0.00    +0.155 HD
ATOM     30  C   LIG    1       -4.703  -0.152  -0.849  0.00  0.00    +0.058 A 
ATOM     31  O   LIG    1       -7.637   1.622  -1.731  0.00  0.00    -0.273 OA
ATOM     32  C   LIG    1       -7.456   1.936   1.217  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1       -5.025  -0.499   0.446  0.00  0.00    +0.071 A 
ATOM     34  C   LIG    1       -3.481  -0.578  -1.351  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4