REMARK  Name = BDB027883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.335  -2.360  -1.220  0.00  0.00    +0.130 C 
ATOM      2  N   LIG    1       -0.305  -1.352  -0.157  0.00  0.00    -0.319 N 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.061  -0.884   0.218  0.00  0.00    +0.160 C 
ATOM      4  C   LIG    1        1.202  -0.560   1.719  0.00  0.00    +0.240 C 
ATOM      5  O   LIG    1        0.690  -1.222   2.622  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        2.038   0.486   2.041  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        2.148   0.658   3.031  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        2.988   1.060   1.236  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        3.877   1.763   1.708  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        2.939   0.699  -0.228  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        1.534   0.294  -0.642  0.00  0.00    +0.041 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  C   LIG    1       -1.322  -0.383  -0.208  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -1.819   0.179  -1.404  0.00  0.00    +0.147 A 
ATOM     14  F   LIG    1       -1.298  -0.178  -2.588  0.00  0.00    -0.203 F 
ATOM     15  C   LIG    1       -2.826   1.141  -1.408  0.00  0.00    +0.078 A 
ATOM     16  C   LIG    1       -3.363   1.557  -0.201  0.00  0.00    +0.126 A 
ATOM     17  F   LIG    1       -4.331   2.481  -0.192  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -2.911   1.026   1.000  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1       -1.898   0.062   0.993  0.00  0.00    +0.029 A 
ENDBRANCH   2  12
TORSDOF 2