REMARK  Name = BDB012770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.519  -0.138   1.157  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -1.752   0.864   0.579  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.310   0.831   0.349  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        0.136   2.297   0.473  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.099   3.057  -0.011  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -2.243   2.236   0.562  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -3.587   0.126   1.710  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -1.061  -3.487   0.838  0.00  0.00    +0.075 A 
ATOM      9  N   LIG    1       -1.748  -3.586   1.980  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -2.370  -2.398   2.099  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.999  -2.245   2.885  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.013  -1.488   1.140  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -1.212  -2.197   0.267  0.00  0.00    +0.058 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -0.805  -6.004   0.719  0.00  0.00    +0.023 C 
ATOM     15  C   LIG    1       -0.255  -4.637   0.303  0.00  0.00    +0.140 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.213  -4.510   0.683  0.00  0.00    +0.398 C 
ATOM     17  F   LIG    1        1.940  -5.477   0.070  0.00  0.00    -0.170 F 
ATOM     18  F   LIG    1        1.727  -3.321   0.276  0.00  0.00    -0.170 F 
ATOM     19  F   LIG    1        1.437  -4.619   2.012  0.00  0.00    -0.170 F 
ENDBRANCH  15  16
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  20
ATOM     20  N   LIG    1        1.327   2.649  -0.291  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1        1.846   1.841   0.052  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        2.409   2.963  -0.979  0.00  0.00    +0.216 C 
ATOM     23  O   LIG    1        3.419   2.274  -0.951  0.00  0.00    -0.276 OA
BRANCH  22  24
ATOM     24  C   LIG    1        2.291   4.202  -1.785  0.00  0.00    +0.075 C 
ATOM     25  C   LIG    1        1.869   4.128  -3.242  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        3.280   4.516  -2.888  0.00  0.00    +0.013 C 
ENDBRANCH  22  24
ENDBRANCH   4  20
TORSDOF 5