REMARK  Name = BDB027831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.523   0.811   0.063  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.138   2.146   0.385  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -1.205   2.382   0.734  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.545   3.686   1.062  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.712   4.758   1.063  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.557   4.514   0.701  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.143   1.419   0.751  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1       -1.791   0.162   0.405  0.00  0.00    +0.076 A 
ATOM      9  C   LIG    1        1.020   3.254   0.360  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -0.484  -0.155   0.040  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.889  -0.822   0.425  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -2.700  -2.166   0.762  0.00  0.00    +0.151 A 
ATOM     13  F   LIG    1       -1.493  -2.637   1.109  0.00  0.00    -0.203 F 
ATOM     14  C   LIG    1       -3.780  -3.036   0.760  0.00  0.00    +0.149 A 
ATOM     15  N   LIG    1       -5.043  -2.670   0.448  0.00  0.00    -0.260 NA
ATOM     16  C   LIG    1       -5.226  -1.371   0.136  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1       -4.204  -0.432   0.112  0.00  0.00    +0.032 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1        1.847   0.551  -0.296  0.00  0.00    -0.336 N 
ATOM     19  H   LIG    1        2.483   1.099   0.281  0.00  0.00    +0.147 HD
BRANCH  18  21
ATOM     20  C   LIG    1        1.872  -1.218  -2.057  0.00  0.00    +0.033 C 
ATOM     21  C   LIG    1        2.477  -0.714  -0.736  0.00  0.00    +0.049 C 
ATOM     22  C   LIG    1        3.954  -0.356  -1.044  0.00  0.00    +0.033 C 
BRANCH  21  23
ATOM     23  C   LIG    1        2.455  -1.794   0.378  0.00  0.00    +0.180 C 
BRANCH  23  24
ATOM     24  O   LIG    1        3.186  -2.967   0.022  0.00  0.00    -0.393 OA
ATOM     25  H   LIG    1        4.126  -2.797   0.201  0.00  0.00    +0.209 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 5