REMARK  Name = BDB064942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.229  -0.393  -0.911  0.00  0.00    -0.036 A 
ATOM      2  C   LIG    1        0.084  -0.155  -0.464  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        1.176  -0.163  -1.348  0.00  0.00    -0.012 A 
ATOM      4  C   LIG    1        0.935  -0.424  -2.702  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -0.359  -0.667  -3.163  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.434  -0.649  -2.275  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.548   0.091  -0.862  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        3.702  -0.799  -1.245  0.00  0.00    +0.256 A 
ATOM      9  O   LIG    1        3.582  -1.782  -1.970  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1        4.931  -0.447  -0.734  0.00  0.00    -0.328 N 
ATOM     11  H   LIG    1        5.696  -1.059  -0.995  0.00  0.00    +0.168 HD
ATOM     12  C   LIG    1        5.156   0.637   0.072  0.00  0.00    +0.098 A 
ATOM     13  C   LIG    1        4.148   1.451   0.423  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        2.810   1.154  -0.072  0.00  0.00    +0.027 A 
BRANCH  13  15
ATOM     15  C   LIG    1        4.327   2.660   1.296  0.00  0.00    +0.419 C 
ATOM     16  F   LIG    1        5.621   2.849   1.666  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        3.602   2.571   2.438  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        3.933   3.796   0.665  0.00  0.00    -0.166 F 
ENDBRANCH  13  15
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -2.418  -0.369   0.043  0.00  0.00    +0.090 C 
BRANCH  19  22
ATOM     20  C   LIG    1       -3.018   2.609  -0.645  0.00  0.00    +0.151 C 
ATOM     21  N   LIG    1       -2.639   2.101   0.646  0.00  0.00    -0.320 N 
ATOM     22  C   LIG    1       -2.368   0.800   0.991  0.00  0.00    +0.141 A 
ATOM     23  N   LIG    1       -2.035   0.774   2.268  0.00  0.00    -0.134 NA
ATOM     24  N   LIG    1       -2.095   2.056   2.758  0.00  0.00    -0.138 NA
ATOM     25  C   LIG    1       -2.458   2.841   1.773  0.00  0.00    +0.224 A 
ENDBRANCH  19  22
BRANCH  19  26
ATOM     26  C   LIG    1       -2.599  -1.696   0.797  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -1.470  -2.361   1.644  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -2.107  -3.719   1.281  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1       -2.658  -3.040   0.009  0.00  0.00    +0.004 C 
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 5