REMARK  Name = BDB018391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.057  -0.945   0.303  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1       -0.585  -1.076   0.381  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.071  -2.283   0.698  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.856  -3.387   0.976  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.200  -4.633   1.337  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.240  -3.321   0.983  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -2.991  -4.250   1.267  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.822  -2.014   0.604  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -4.993   3.036   0.031  0.00  0.00    +0.172 C 
ATOM     10  N   LIG    1       -4.003   2.022  -0.239  0.00  0.00    -0.274 N 
ATOM     11  N   LIG    1       -3.266   2.100  -1.362  0.00  0.00    -0.179 NA
ATOM     12  C   LIG    1       -2.463   1.034  -1.287  0.00  0.00    +0.142 A 
ATOM     13  C   LIG    1       -2.693   0.270  -0.122  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.706   0.936   0.534  0.00  0.00    +0.116 A 
ENDBRANCH   1  13
BRANCH   2  15
ATOM     15  C   LIG    1        0.299   0.034   0.174  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        1.371   0.076  -0.689  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1        1.927   1.315  -0.537  0.00  0.00    -0.270 N 
ATOM     18  N   LIG    1        1.304   2.074   0.385  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1        0.302   1.296   0.807  0.00  0.00    +0.143 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.093   1.839  -1.235  0.00  0.00    +0.153 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.336   1.660  -0.427  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1        5.051   0.365  -0.482  0.00  0.00    +0.254 C 
ATOM     23  F   LIG    1        5.577  -0.196   0.657  0.00  0.00    -0.205 F 
ATOM     24  F   LIG    1        4.599  -0.660  -1.279  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        5.693   1.554  -1.095  0.00  0.00    +0.087 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   2  15
TORSDOF 4