REMARK  Name = BDB056748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.067  -2.064  -1.112  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.071  -0.717  -1.631  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.127   0.162  -1.550  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.657   1.317  -2.164  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        1.492   2.438  -2.267  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        2.786   2.366  -1.735  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.234   1.203  -1.103  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.632   1.153  -2.599  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.419   0.065  -1.011  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.978  -0.075  -2.254  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.539   1.234  -0.652  0.00  0.00    -0.453 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.823   0.556   0.509  0.00  0.00    +0.164 A 
ATOM     13  C   LIG    1        4.220   0.872   1.729  0.00  0.00    +0.168 A 
ATOM     14  F   LIG    1        3.306   1.850   1.808  0.00  0.00    -0.202 F 
ATOM     15  C   LIG    1        4.566   0.186   2.887  0.00  0.00    +0.080 A 
ATOM     16  C   LIG    1        5.534  -0.807   2.816  0.00  0.00    +0.126 A 
ATOM     17  F   LIG    1        5.877  -1.474   3.925  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        6.163  -1.119   1.612  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1        5.813  -0.428   0.452  0.00  0.00    +0.052 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  20
ATOM     20  C   LIG    1       -2.317  -0.687  -2.511  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.838  -1.242  -1.299  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.585  -0.434  -0.487  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -4.363  -1.113   0.454  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -5.164  -0.406   1.360  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -5.179   0.991   1.328  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -4.392   1.671   0.398  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.597   0.961  -0.506  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -5.975  -1.181   2.328  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -6.049  -2.394   2.387  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -6.650  -0.400   3.189  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -7.127  -1.037   3.760  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 7