REMARK  Name = BDB051089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.109  -0.415  -0.866  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.273  -0.152  -2.221  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.167  -0.829  -2.955  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.495   0.828  -2.842  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.448   1.535  -2.106  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.656   1.255  -0.745  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.857   0.279  -0.127  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.286  -2.401   0.314  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.895  -1.463  -0.194  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -2.266  -1.320  -0.124  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1       -3.062  -0.163  -0.521  0.00  0.00    +0.116 C 
ATOM     12  C   LIG    1       -4.413  -0.367   0.187  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1       -4.436   0.323   1.553  0.00  0.00    +0.089 C 
ATOM     14  N   LIG    1       -4.996   1.663   1.330  0.00  0.00    -0.315 NA
ATOM     15  H   LIG    1       -4.302   2.385   1.520  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -5.458   1.746  -0.058  0.00  0.00    +0.081 C 
ATOM     17  C   LIG    1       -5.571   0.308  -0.529  0.00  0.00    +0.025 C 
ATOM     18  C   LIG    1       -4.511  -1.893   0.264  0.00  0.00    +0.028 C 
ATOM     19  C   LIG    1       -3.078  -2.320   0.544  0.00  0.00    +0.109 C 
ENDBRANCH   1   9
BRANCH   6  20
ATOM     20  C   LIG    1        2.684   2.046   0.035  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.460   1.230   1.061  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1        4.521   0.289   0.617  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        5.189  -0.427   1.608  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        6.201  -1.335   1.273  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        6.544  -1.527  -0.064  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.879  -0.814  -1.060  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.822  -0.217   3.018  0.00  0.00    +0.272 A 
ATOM     28  O   LIG    1        5.391  -0.816   3.924  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1        3.816   0.687   3.252  0.00  0.00    -0.242 N 
ATOM     30  H   LIG    1        3.546   0.840   4.219  0.00  0.00    +0.192 HD
ATOM     31  C   LIG    1        4.870   0.094  -0.725  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1        3.143   1.402   2.311  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 3