REMARK  Name = BDB008526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.842  -1.068  -0.880  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.569  -0.280  -0.069  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -2.868  -0.575   0.113  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -3.452  -1.673  -0.475  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -2.641  -2.425  -1.284  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -1.349  -2.139  -1.505  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        0.485  -0.682  -1.037  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        0.670   0.120  -0.450  0.00  0.00    +0.155 HD
BRANCH   7  11
ATOM      9  C   LIG    1        3.978  -1.017  -2.262  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1        2.806  -0.528  -1.661  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        1.597  -1.250  -1.669  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        1.574  -2.466  -2.352  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        2.721  -2.963  -2.978  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        3.913  -2.243  -2.934  0.00  0.00    +0.004 A 
BRANCH   9  15
ATOM     15  C   LIG    1        5.279  -0.247  -2.266  0.00  0.00    +0.035 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.536   0.713  -1.095  0.00  0.00    +0.005 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.645  -0.003   0.258  0.00  0.00    +0.009 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.839   0.974   1.417  0.00  0.00    +0.095 C 
BRANCH  18  22
ATOM     19  N   LIG    1        4.754   2.654   2.775  0.00  0.00    -0.329 N 
ATOM     20  H   LIG    1        5.581   2.669   3.355  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        3.928   3.136   3.105  0.00  0.00    +0.145 HD
ATOM     22  C   LIG    1        4.579   1.738   1.778  0.00  0.00    +0.210 C 
ATOM     23  O   LIG    1        3.483   1.585   1.254  0.00  0.00    -0.276 OA
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   9  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  24
ATOM     24  N   LIG    1       -3.568   0.267   0.985  0.00  0.00    -0.299 N 
ATOM     25  H   LIG    1       -2.916   0.965   1.334  0.00  0.00    +0.154 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.892   0.742   0.948  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1       -5.422   1.316   2.114  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1       -6.744   1.792   2.165  0.00  0.00    +0.057 A 
ATOM     29  C   LIG    1       -7.539   1.705   1.015  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1       -7.025   1.141  -0.151  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -5.713   0.662  -0.181  0.00  0.00    +0.023 A 
BRANCH  28  32
ATOM     32  C   LIG    1       -7.278   2.420   3.428  0.00  0.00    +0.417 C 
ATOM     33  F   LIG    1       -8.634   2.340   3.535  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -6.973   3.744   3.516  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -6.783   1.846   4.560  0.00  0.00    -0.166 F 
ENDBRANCH  28  32
ENDBRANCH  24  26
ENDBRANCH   3  24
TORSDOF 10