REMARK  Name = BDB025588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.469  -0.538  -0.134  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        1.054   0.597  -0.681  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        1.947   0.498  -1.853  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        2.062   1.937  -2.385  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1        0.791   2.611  -1.906  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        0.549   1.963  -0.544  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1        0.807  -1.653  -0.543  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        3.365  -0.065  -1.569  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        3.403  -1.240  -0.852  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1        2.513  -1.736  -0.760  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        4.386   0.440  -2.033  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        4.623  -2.004  -0.681  0.00  0.00    +0.137 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.656  -1.326   0.208  0.00  0.00    +0.232 C 
ATOM     14  F   LIG    1        6.661  -2.207   0.469  0.00  0.00    -0.247 F 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  15
ATOM     15  O   LIG    1       -0.290   2.309  -2.782  0.00  0.00    -0.390 OA
ATOM     16  H   LIG    1       -0.080   2.673  -3.660  0.00  0.00    +0.210 HD
ENDBRANCH   5  15
BRANCH   1  17
ATOM     17  C   LIG    1       -0.518  -0.363   1.037  0.00  0.00    +0.200 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.880  -0.246   0.532  0.00  0.00    -0.239 N 
ATOM     19  N   LIG    1       -2.371  -1.099  -0.386  0.00  0.00    -0.065 NA
ATOM     20  N   LIG    1       -3.618  -0.732  -0.652  0.00  0.00    -0.134 NA
ATOM     21  C   LIG    1       -3.899   0.365   0.105  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1       -2.813   0.693   0.877  0.00  0.00    +0.134 A 
BRANCH  21  23
ATOM     23  C   LIG    1       -5.250   1.108   0.096  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -5.880   1.456  -1.228  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -5.302   2.541  -0.367  0.00  0.00    +0.010 C 
ENDBRANCH  21  23
ENDBRANCH  17  18
BRANCH  17  27
ATOM     26  C   LIG    1       -0.793  -2.844   1.814  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -0.352  -1.417   2.194  0.00  0.00    -0.007 C 
ATOM     28  C   LIG    1       -1.192  -0.981   3.418  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        1.123  -1.462   2.651  0.00  0.00    +0.013 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 8