REMARK  Name = BDB061777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.675   0.268  -0.017  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.749   1.276   0.940  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.211   1.423   1.865  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.823   2.160   0.948  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.848   2.018   0.009  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.817   0.978  -0.935  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.712   0.111  -0.946  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1        5.824   0.998   0.135  0.00  0.00    +0.218 C 
ATOM      9  N   LIG    1        4.517   0.537   0.208  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        4.088  -0.777   0.736  0.00  0.00    +0.090 C 
ATOM     11  C   LIG    1        3.884  -0.723   2.256  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1        2.805  -1.278   0.034  0.00  0.00    +0.130 C 
ATOM     13  N   LIG    1        1.750  -0.265   0.002  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1        0.430  -0.709  -0.021  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1        0.120  -1.900  -0.046  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        2.180   1.034  -0.531  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        3.450   1.551   0.154  0.00  0.00    +0.127 C 
ATOM     18  O   LIG    1        6.061   2.209   0.051  0.00  0.00    -0.275 OA
BRANCH   8  20
ATOM     19  C   LIG    1        7.318  -0.671   1.403  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1        7.015   0.034   0.088  0.00  0.00    +0.069 C 
ATOM     21  C   LIG    1        6.974  -0.907  -1.112  0.00  0.00    +0.017 C 
ENDBRANCH   8  20
ENDBRANCH   1  14
BRANCH   6  22
ATOM     22  C   LIG    1       -3.933   0.803  -1.948  0.00  0.00    +0.162 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -5.268   0.738  -1.350  0.00  0.00    -0.289 N 
ATOM     24  C   LIG    1       -5.738  -0.453  -0.713  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -7.013  -0.468  -0.134  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -7.516  -1.609   0.508  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -6.740  -2.761   0.579  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.471  -2.769   0.009  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -7.845   0.742  -0.204  0.00  0.00    +0.262 A 
ATOM     30  O   LIG    1       -8.963   0.793   0.297  0.00  0.00    -0.267 OA
ATOM     31  N   LIG    1       -7.297   1.808  -0.858  0.00  0.00    -0.274 N 
ATOM     32  H   LIG    1       -7.854   2.648  -0.902  0.00  0.00    +0.173 HD
ATOM     33  C   LIG    1       -4.975  -1.627  -0.632  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1       -6.052   1.881  -1.412  0.00  0.00    +0.330 A 
ATOM     35  O   LIG    1       -5.685   2.939  -1.921  0.00  0.00    -0.246 OA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4