REMARK  Name = BDB009414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.174  -0.254   1.223  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.343  -0.819   2.482  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.474  -0.501   3.497  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.368  -1.731   2.709  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.248  -2.060   1.675  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.123  -1.463   0.410  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.069  -0.562   0.190  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        5.370  -0.247  -1.347  0.00  0.00    +0.222 C 
ATOM      9  N   LIG    1        4.058   0.176  -1.164  0.00  0.00    -0.299 N 
ATOM     10  C   LIG    1        3.644   1.477  -0.618  0.00  0.00    +0.126 C 
ATOM     11  C   LIG    1        3.228   1.415   0.861  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        2.219   0.391   1.147  0.00  0.00    -0.296 N 
ATOM     13  C   LIG    1        0.881   0.740   0.968  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1        0.525   1.843   0.554  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.712  -0.988   1.185  0.00  0.00    +0.109 C 
ATOM     16  C   LIG    1        2.711  -1.690  -0.173  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        2.992  -0.796  -1.379  0.00  0.00    +0.109 C 
ATOM     18  O   LIG    1        5.660  -1.393  -1.678  0.00  0.00    -0.275 OA
BRANCH   8  20
ATOM     19  C   LIG    1        6.731   1.688  -2.331  0.00  0.00    +0.021 C 
ATOM     20  C   LIG    1        6.482   0.755  -1.168  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        7.743   0.252  -0.469  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1        6.847   1.217   0.236  0.00  0.00    +0.017 C 
ENDBRANCH   8  20
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  C   LIG    1       -3.078  -1.804  -0.713  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.548  -1.673  -0.327  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -5.217  -0.336  -0.402  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -4.455   0.889  -0.824  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -5.204   2.198  -0.554  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.675   2.081  -0.932  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -7.353   0.957  -0.147  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -6.522  -0.295  -0.079  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -7.220  -1.529   0.362  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -8.404  -1.525   0.681  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -6.460  -2.667   0.392  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -6.921  -3.522   0.685  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -5.148  -2.763   0.051  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4