REMARK  Name = BDB009162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.994  -1.213  -0.647  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.768  -2.380  -1.394  0.00  0.00    +0.145 A 
ATOM      3  F   LIG    1        2.442  -2.641  -2.522  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1        0.758  -3.284  -1.058  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -0.080  -3.034   0.024  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.072  -1.857   0.760  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        1.111  -0.966   0.419  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        3.774   1.167   0.925  0.00  0.00    +0.028 C 
ATOM      9  C   LIG    1        3.073   1.074  -0.435  0.00  0.00    +0.079 C 
ATOM     10  N   LIG    1        3.031  -0.282  -0.954  0.00  0.00    -0.266 N 
ATOM     11  C   LIG    1        4.168  -0.540  -1.741  0.00  0.00    +0.220 C 
ATOM     12  O   LIG    1        4.605  -1.602  -2.154  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.889   0.773  -1.954  0.00  0.00    +0.098 C 
ATOM     14  C   LIG    1        3.871   1.808  -1.506  0.00  0.00    +0.032 C 
ENDBRANCH   1  10
BRANCH   6  15
ATOM     15  C   LIG    1       -0.839  -1.565   1.931  0.00  0.00    +0.092 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.468  -0.175   1.875  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -2.591   0.095   0.922  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1       -3.154  -0.999   0.057  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -4.492  -0.630  -0.591  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -4.462   0.788  -1.145  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.159   1.802  -0.040  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -3.062   1.353   0.886  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -2.495   2.388   1.787  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1       -2.910   3.542   1.791  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1       -1.487   1.973   2.614  0.00  0.00    -0.243 N 
ATOM     26  H   LIG    1       -1.092   2.664   3.243  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1       -0.959   0.722   2.667  0.00  0.00    -0.175 NA
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 3