REMARK  Name = BDB017049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.690  -3.244  -0.960  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        1.806  -1.837  -0.656  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        0.873  -0.849  -0.901  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        1.472   0.309  -0.411  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        2.740   0.031   0.076  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        2.900  -1.261  -0.079  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.425  -1.086  -1.536  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -1.450  -1.802  -0.889  0.00  0.00    +0.133 A 
ATOM      9  C   LIG    1       -2.678  -2.028  -1.518  0.00  0.00    +0.087 A 
ATOM     10  C   LIG    1       -2.892  -1.505  -2.789  0.00  0.00    +0.162 A 
ATOM     11  F   LIG    1       -4.072  -1.712  -3.392  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1       -1.894  -0.781  -3.433  0.00  0.00    +0.159 A 
ATOM     13  F   LIG    1       -2.113  -0.281  -4.659  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1       -0.663  -0.572  -2.819  0.00  0.00    +0.055 A 
BRANCH   8  15
ATOM     15  O   LIG    1       -1.217  -2.354   0.345  0.00  0.00    -0.491 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -1.923  -1.661   1.384  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.925  -1.104   2.353  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1       -0.092  -2.022   3.212  0.00  0.00    +0.007 C 
ATOM     19  C   LIG    1       -1.166  -1.174   3.839  0.00  0.00    +0.007 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   8  15
ENDBRANCH   3   7
BRANCH   4  20
ATOM     20  C   LIG    1        0.902   1.655  -0.360  0.00  0.00    +0.092 A 
ATOM     21  N   LIG    1       -0.414   1.803  -0.656  0.00  0.00    -0.253 NA
ATOM     22  C   LIG    1       -0.941   3.044  -0.592  0.00  0.00    +0.112 A 
ATOM     23  C   LIG    1       -0.218   4.165  -0.236  0.00  0.00    +0.035 A 
ATOM     24  C   LIG    1        1.131   3.998   0.070  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        1.704   2.728   0.010  0.00  0.00    +0.045 A 
BRANCH  24  26
ATOM     26  C   LIG    1        1.910   5.194   0.463  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1        1.462   6.317   0.599  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        3.209   4.925   0.663  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        3.601   5.787   0.920  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH   4  20
TORSDOF 7