REMARK  Name = BDB064221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.881  -0.729  -0.845  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.682  -1.736  -1.782  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.287  -1.639  -2.704  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.483  -2.873  -1.768  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.505  -2.991  -0.823  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.749  -1.963   0.104  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.917  -0.832   0.091  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        4.140   0.406   0.038  0.00  0.00    -0.296 N 
ATOM      9  C   LIG    1        3.426  -0.760   0.333  0.00  0.00    +0.233 C 
ATOM     10  O   LIG    1        3.954  -1.752   0.842  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        1.907  -0.761   0.069  0.00  0.00    +0.204 C 
ATOM     12  N   LIG    1        1.309   0.395  -0.603  0.00  0.00    -0.287 N 
ATOM     13  C   LIG    1       -0.057   0.491  -0.864  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1       -0.632   1.554  -1.086  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.065   1.634  -0.523  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        3.530   1.384  -0.862  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     17  C   LIG    1        5.604   0.401   0.251  0.00  0.00    +0.076 C 
BRANCH  17  19
ATOM     18  C   LIG    1        5.550   2.211   2.047  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1        6.174   1.748   0.736  0.00  0.00    +0.019 C 
ENDBRANCH  17  19
BRANCH  17  20
ATOM     20  C   LIG    1        6.375  -0.192  -0.951  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1        6.656   0.760  -2.106  0.00  0.00    +0.006 C 
ENDBRANCH  17  20
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  C   LIG    1       -3.858  -2.113   1.129  0.00  0.00    +0.162 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.675  -0.911   1.308  0.00  0.00    -0.289 N 
ATOM     24  C   LIG    1       -5.673  -0.545   0.352  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -6.431   0.613   0.557  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -7.421   1.014  -0.352  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -7.665   0.251  -1.489  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.923  -0.905  -1.712  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.185   1.428   1.756  0.00  0.00    +0.262 A 
ATOM     30  O   LIG    1       -6.827   2.444   1.995  0.00  0.00    -0.267 OA
ATOM     31  N   LIG    1       -5.202   0.980   2.592  0.00  0.00    -0.274 N 
ATOM     32  H   LIG    1       -5.016   1.536   3.412  0.00  0.00    +0.173 HD
ATOM     33  C   LIG    1       -5.936  -1.301  -0.800  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1       -4.432  -0.136   2.432  0.00  0.00    +0.330 A 
ATOM     35  O   LIG    1       -3.571  -0.395   3.272  0.00  0.00    -0.246 OA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 6