REMARK  Name = BDB064958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.303   0.790  -1.448  0.00  0.00    -0.308 N 
ATOM      2  C   LIG    1        1.947   0.724  -1.775  0.00  0.00    +0.259 A 
ATOM      3  O   LIG    1        1.507   0.143  -2.766  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        1.010   1.452  -0.841  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.523   2.141   0.195  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        2.950   2.189   0.452  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1        3.775   1.516  -0.364  0.00  0.00    +0.102 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.448   1.426  -1.054  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1       -1.304   0.891  -0.076  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.706   0.802  -0.247  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -3.211   1.322  -1.456  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -2.378   1.869  -2.436  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.001   1.913  -2.238  0.00  0.00    +0.009 A 
BRANCH  10  14
ATOM     14  C   LIG    1       -3.634   0.123   0.890  0.00  0.00    +0.056 C 
ATOM     15  C   LIG    1       -3.935   1.034   2.138  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1       -5.276   1.415   1.465  0.00  0.00    -0.012 C 
ATOM     17  C   LIG    1       -6.467   1.599   2.384  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -5.192   0.070   0.706  0.00  0.00    +0.022 C 
BRANCH  14  19
ATOM     19  C   LIG    1       -3.063  -1.303   1.281  0.00  0.00    +0.144 A 
ATOM     20  N   LIG    1       -2.814  -2.356   0.443  0.00  0.00    -0.320 N 
ATOM     21  C   LIG    1       -3.015  -2.423  -0.979  0.00  0.00    +0.151 C 
ATOM     22  C   LIG    1       -2.308  -3.348   1.225  0.00  0.00    +0.224 A 
ATOM     23  N   LIG    1       -2.256  -2.941   2.472  0.00  0.00    -0.138 NA
ATOM     24  N   LIG    1       -2.727  -1.650   2.507  0.00  0.00    -0.134 NA
ENDBRANCH  14  19
ENDBRANCH  10  14
ENDBRANCH   4   8
BRANCH   6  25
ATOM     25  C   LIG    1        3.428   2.980   1.635  0.00  0.00    +0.419 C 
ATOM     26  F   LIG    1        4.778   2.935   1.784  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        3.094   4.292   1.526  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        2.890   2.533   2.797  0.00  0.00    -0.166 F 
ENDBRANCH   6  25
BRANCH   1  29
ATOM     29  C   LIG    1        4.249   0.023  -2.263  0.00  0.00    +0.181 C 
BRANCH  29  33
ATOM     30  C   LIG    1        7.121  -3.216   0.282  0.00  0.00    +0.150 C 
ATOM     31  N   LIG    1        6.023  -2.554  -0.374  0.00  0.00    -0.340 N 
ATOM     32  C   LIG    1        6.074  -1.360  -1.036  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        4.786  -1.140  -1.487  0.00  0.00    +0.079 A 
ATOM     34  N   LIG    1        3.972  -2.189  -1.110  0.00  0.00    -0.239 NA
ATOM     35  C   LIG    1        4.743  -3.017  -0.442  0.00  0.00    +0.199 A 
ENDBRANCH  29  33
ENDBRANCH   1  29
TORSDOF 6