REMARK  Name = BDB064223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.971  -0.225  -1.233  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.770  -0.808  -2.479  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.125  -0.303  -3.340  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.490  -1.939  -2.848  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.437  -2.476  -1.971  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.685  -1.874  -0.725  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.933  -0.746  -0.359  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        4.029   0.945  -0.369  0.00  0.00    -0.296 N 
ATOM      9  C   LIG    1        3.398  -0.293  -0.300  0.00  0.00    +0.233 C 
ATOM     10  O   LIG    1        3.998  -1.347  -0.082  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        1.872  -0.340  -0.518  0.00  0.00    +0.204 C 
ATOM     12  N   LIG    1        1.150   0.922  -0.689  0.00  0.00    -0.287 N 
ATOM     13  C   LIG    1       -0.233   0.987  -0.840  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1       -0.892   2.004  -0.634  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        1.832   2.104  -0.194  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        3.264   2.145  -0.710  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     17  C   LIG    1        5.494   1.104  -0.228  0.00  0.00    +0.076 C 
ATOM     18  C   LIG    1        6.311   0.071  -1.014  0.00  0.00    +0.028 C 
BRANCH  17  20
ATOM     19  C   LIG    1        7.367   1.778   1.366  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        5.918   1.288   1.256  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1        5.734   0.049   2.133  0.00  0.00    +0.009 C 
ENDBRANCH  17  20
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  C   LIG    1       -3.710  -2.477   0.218  0.00  0.00    +0.162 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.594  -1.495   0.847  0.00  0.00    -0.289 N 
ATOM     24  C   LIG    1       -5.677  -0.903   0.126  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -6.498   0.036   0.762  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -7.571   0.644   0.096  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -7.838   0.316  -1.230  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.035  -0.615  -1.881  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.229   0.390   2.164  0.00  0.00    +0.262 A 
ATOM     30  O   LIG    1       -6.921   1.194   2.776  0.00  0.00    -0.267 OA
ATOM     31  N   LIG    1       -5.164  -0.238   2.745  0.00  0.00    -0.274 N 
ATOM     32  H   LIG    1       -4.962   0.005   3.703  0.00  0.00    +0.173 HD
ATOM     33  C   LIG    1       -5.964  -1.220  -1.210  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1       -4.331  -1.151   2.166  0.00  0.00    +0.330 A 
ATOM     35  O   LIG    1       -3.400  -1.614   2.823  0.00  0.00    -0.246 OA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 5