REMARK  Name = BDB014078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.056   0.187   0.611  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        1.071   0.912  -0.182  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1        2.484   0.725   0.413  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1        2.862  -0.698   0.549  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1        1.832  -1.396   1.349  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        0.414  -1.242   0.764  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.019  -2.457  -0.460  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1       -4.458  -1.096  -0.160  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -3.505  -0.092   0.093  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1       -2.181  -0.431   0.254  0.00  0.00    -0.200 NA
ATOM     11  C   LIG    1       -1.286   0.486   0.444  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1       -1.634   1.802   0.516  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -0.947   2.493   0.758  0.00  0.00    +0.172 HD
ATOM     14  C   LIG    1       -2.918   2.234   0.428  0.00  0.00    +0.258 A 
ATOM     15  O   LIG    1       -3.213   3.419   0.553  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -3.922   1.189   0.172  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1       -5.350   1.620   0.028  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1       -6.322   0.449   0.136  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -5.798  -0.751  -0.641  0.00  0.00    +0.106 C 
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1        4.189  -0.846   1.198  0.00  0.00    +0.160 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.370  -0.328   0.385  0.00  0.00    +0.143 A 
ATOM     22  N   LIG    1        5.784   0.942   0.617  0.00  0.00    -0.236 NA
ATOM     23  C   LIG    1        6.820   1.381  -0.133  0.00  0.00    +0.152 A 
ATOM     24  C   LIG    1        7.441   0.614  -1.086  0.00  0.00    +0.159 A 
ATOM     25  F   LIG    1        8.463   1.079  -1.812  0.00  0.00    -0.202 F 
ATOM     26  C   LIG    1        6.954  -0.658  -1.250  0.00  0.00    +0.152 A 
ATOM     27  N   LIG    1        5.925  -1.157  -0.530  0.00  0.00    -0.236 NA
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 3