REMARK  Name = BDB015746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.386   0.388  -1.678  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        1.306   0.040  -0.774  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1        0.872  -0.311   0.448  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.409  -0.386   0.825  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.320  -0.038  -0.101  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.962   0.346  -1.380  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.738  -0.144   0.325  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.626   0.804  -0.029  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -4.958   0.749   0.352  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -5.845   1.818  -0.082  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -5.474  -0.283   1.136  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -6.651  -0.367   1.479  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.491  -1.327   1.568  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.009  -2.426   2.438  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.212  -1.229   1.171  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        0.766   0.735  -2.984  0.00  0.00    -0.329 N 
ATOM     17  H   LIG    1        0.280   1.575  -3.286  0.00  0.00    +0.147 HD
BRANCH  16  19
ATOM     18  C   LIG    1        2.804   2.114  -2.757  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        2.203   0.805  -3.248  0.00  0.00    +0.099 C 
ENDBRANCH  16  19
ENDBRANCH   1  16
BRANCH   3  20
ATOM     20  O   LIG    1        1.790  -0.709   1.414  0.00  0.00    -0.420 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.094  -0.338   1.191  0.00  0.00    +0.170 A 
ATOM     22  C   LIG    1        3.477   1.001   1.303  0.00  0.00    +0.166 A 
ATOM     23  F   LIG    1        2.570   1.942   1.605  0.00  0.00    -0.202 F 
ATOM     24  C   LIG    1        4.800   1.380   1.109  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1        5.756   0.410   0.812  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        5.384  -0.935   0.718  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        4.052  -1.327   0.919  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1        3.660  -2.772   0.808  0.00  0.00    +0.047 C 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5