REMARK  Name = BDB056755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.411  -2.889  -0.363  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.273  -1.654  -1.096  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        0.906  -0.970  -1.285  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.541   0.138  -2.045  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        1.520   1.061  -2.442  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        2.849   0.848  -2.055  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.186  -0.260  -1.272  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.805   0.135  -2.300  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.227  -1.204  -0.884  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -1.284  -0.950  -1.717  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.492  -0.520  -0.917  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.159   0.474  -0.236  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1        4.617   1.113   0.881  0.00  0.00    +0.087 A 
ATOM     14  C   LIG    1        5.386   2.055   1.557  0.00  0.00    +0.162 A 
ATOM     15  F   LIG    1        4.880   2.657   2.643  0.00  0.00    -0.202 F 
ATOM     16  C   LIG    1        6.673   2.361   1.127  0.00  0.00    +0.159 A 
ATOM     17  F   LIG    1        7.401   3.277   1.780  0.00  0.00    -0.202 F 
ATOM     18  C   LIG    1        7.218   1.723   0.018  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1        6.460   0.767  -0.662  0.00  0.00    +0.049 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  20
ATOM     20  C   LIG    1       -2.718  -1.371  -1.743  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.158  -1.645  -0.407  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.845  -0.650   0.232  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -4.775  -1.084   1.177  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -5.524  -0.157   1.911  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -5.324   1.213   1.709  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -4.380   1.645   0.779  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.637   0.716   0.045  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -6.507  -0.671   2.894  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -6.778  -1.841   3.090  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.097   0.308   3.602  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -7.701  -0.172   4.208  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 7