REMARK  Name = BDB003158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.420  -0.892  -0.279  0.00  0.00    +0.405 C 
ATOM      2  N   LIG    1        4.189  -0.408   0.150  0.00  0.00    -0.245 N 
ATOM      3  C   LIG    1        2.954  -0.978  -0.046  0.00  0.00    +0.103 C 
ATOM      4  C   LIG    1        1.518  -0.542   0.372  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1        1.341   0.692   1.114  0.00  0.00    +0.059 C 
ATOM      6  N   LIG    1        0.250   1.203   1.560  0.00  0.00    -0.164 NA
ATOM      7  C   LIG    1        2.593   1.369   1.382  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1        3.915   0.739   0.858  0.00  0.00    +0.103 C 
ATOM      9  O   LIG    1        5.578  -1.937  -0.905  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1       -0.891   0.542   1.254  0.00  0.00    -0.076 NA
ATOM     11  C   LIG    1       -1.407   0.856   0.053  0.00  0.00    +0.288 C 
ATOM     12  O   LIG    1       -0.881   1.483  -0.871  0.00  0.00    -0.266 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -2.805   0.389  -0.166  0.00  0.00    +0.075 A 
ATOM     14  C   LIG    1       -3.316  -0.807   0.344  0.00  0.00    +0.136 A 
ATOM     15  F   LIG    1       -2.565  -1.665   1.051  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -4.641  -1.176   0.095  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1       -5.468  -0.357  -0.674  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -4.966   0.832  -1.201  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -3.642   1.200  -0.951  0.00  0.00    +0.016 A 
ENDBRANCH  11  13
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  O   LIG    1        6.441  -0.062   0.084  0.00  0.00    -0.435 OA
BRANCH  20  22
ATOM     21  C   LIG    1        9.085  -0.868  -0.686  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        7.650  -0.461  -0.287  0.00  0.00    +0.210 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4