REMARK  Name = BDB007054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.032   0.047   0.244  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1  11
ATOM      2  C   LIG    1       -1.389   0.457   0.932  0.00  0.00    +0.148 A 
ATOM      3  C   LIG    1       -2.762   0.530   0.698  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1       -3.235   0.218  -0.590  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -4.615   0.295  -0.816  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -5.465   0.668   0.219  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -4.906   0.953   1.451  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1       -2.331  -0.156  -1.598  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -0.961  -0.218  -1.331  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.580   0.890   1.711  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1       -0.464   0.093  -0.056  0.00  0.00    +0.021 A 
BRANCH   2  12
ATOM     12  O   LIG    1       -0.946   0.754   2.203  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1       -1.768   0.990   2.688  0.00  0.00    +0.292 HD
ENDBRANCH   2  12
ENDBRANCH   1  11
BRANCH   1  14
ATOM     14  C   LIG    1        1.615  -1.363   0.043  0.00  0.00    -0.023 A 
ATOM     15  C   LIG    1        1.086  -2.434   0.789  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        1.585  -3.731   0.647  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        2.642  -3.994  -0.234  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        3.180  -2.934  -0.975  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        2.678  -1.636  -0.833  0.00  0.00    +0.006 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.168  -5.397  -0.406  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1        2.514  -6.078  -1.389  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        4.489  -5.438  -0.740  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        3.047  -6.157   0.718  0.00  0.00    -0.166 F 
ENDBRANCH  17  20
ENDBRANCH   1  14
BRANCH   1  24
ATOM     24  N   LIG    1        1.749   1.034  -0.579  0.00  0.00    -0.318 N 
ATOM     25  H   LIG    1        1.530   0.927  -1.566  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1        1.503   2.375  -0.317  0.00  0.00    +0.119 A 
ATOM     27  N   LIG    1        1.171   3.112  -1.396  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1        0.929   4.433  -1.203  0.00  0.00    +0.132 A 
ATOM     29  C   LIG    1        1.016   5.063   0.026  0.00  0.00    +0.059 A 
ATOM     30 CL   LIG    1        0.693   6.739   0.188  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        1.380   4.300   1.124  0.00  0.00    +0.025 A 
ATOM     32  C   LIG    1        1.633   2.938   0.949  0.00  0.00    +0.045 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 6