REMARK  Name = BDB064956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.037   0.932  -0.494  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1        1.666   1.216  -0.559  0.00  0.00    +0.259 A 
ATOM      3  O   LIG    1        1.036   1.718   0.372  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        0.973   0.859  -1.854  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.703   0.331  -2.853  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        3.132   0.112  -2.732  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1        3.736   0.417  -1.573  0.00  0.00    +0.101 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.482   1.055  -2.018  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1       -1.368   0.566  -1.044  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.763   0.773  -1.101  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -3.234   1.480  -2.226  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -2.376   1.957  -3.220  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.004   1.751  -3.112  0.00  0.00    +0.009 A 
BRANCH  10  14
ATOM     14  C   LIG    1       -3.769   0.294   0.063  0.00  0.00    +0.056 C 
ATOM     15  C   LIG    1       -4.944  -0.654  -0.393  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1       -4.058  -1.853   0.024  0.00  0.00    -0.012 C 
ATOM     17  C   LIG    1       -4.771  -3.044   0.630  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -3.359  -0.890   1.012  0.00  0.00    +0.022 C 
BRANCH  14  19
ATOM     19  C   LIG    1       -4.270   1.553   0.879  0.00  0.00    +0.144 A 
ATOM     20  N   LIG    1       -3.513   2.426   1.613  0.00  0.00    -0.320 N 
ATOM     21  C   LIG    1       -2.090   2.415   1.818  0.00  0.00    +0.151 C 
ATOM     22  C   LIG    1       -4.381   3.347   2.113  0.00  0.00    +0.224 A 
ATOM     23  N   LIG    1       -5.599   3.063   1.717  0.00  0.00    -0.138 NA
ATOM     24  N   LIG    1       -5.530   1.936   0.933  0.00  0.00    -0.134 NA
ENDBRANCH  14  19
ENDBRANCH  10  14
ENDBRANCH   4   8
BRANCH   6  25
ATOM     25  C   LIG    1        3.862  -0.450  -3.919  0.00  0.00    +0.419 C 
ATOM     26  F   LIG    1        5.190  -0.611  -3.687  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        3.376  -1.667  -4.275  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        3.748   0.354  -5.005  0.00  0.00    -0.166 F 
ENDBRANCH   6  25
BRANCH   1  29
ATOM     29  C   LIG    1        3.765   1.253   0.738  0.00  0.00    +0.129 C 
BRANCH  29  33
ATOM     30  C   LIG    1        4.761  -3.408   2.101  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1        4.374  -2.038   2.399  0.00  0.00    -0.305 NA
ATOM     32  C   LIG    1        4.646  -1.118   1.293  0.00  0.00    +0.089 C 
ATOM     33  C   LIG    1        3.892   0.119   1.761  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1        2.591  -0.465   2.312  0.00  0.00    +0.022 C 
ATOM     35  C   LIG    1        2.943  -1.905   2.691  0.00  0.00    +0.084 C 
ENDBRANCH  29  33
ENDBRANCH   1  29
TORSDOF 6