REMARK  Name = BDB002177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.541   0.391  -0.295  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -0.326   0.594   0.235  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1        0.533  -0.440   0.316  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.242  -1.688  -0.104  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -0.992  -1.890  -0.625  0.00  0.00    +0.149 A 
ATOM      6  C   LIG    1       -1.915  -0.865  -0.732  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.881  -0.199   0.897  0.00  0.00    +0.108 A 
ATOM      8  N   LIG    1        2.180   1.073   1.292  0.00  0.00    -0.252 NA
ATOM      9  C   LIG    1        3.400   1.308   1.822  0.00  0.00    +0.111 A 
ATOM     10  C   LIG    1        4.368   0.335   1.989  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        4.068  -0.959   1.588  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        2.816  -1.230   1.038  0.00  0.00    +0.031 A 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  C   LIG    1       -1.394  -3.280  -1.083  0.00  0.00    +0.434 C 
ATOM     14  F   LIG    1       -2.333  -3.848  -0.273  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1       -0.362  -4.169  -1.138  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1       -1.945  -3.279  -2.333  0.00  0.00    -0.164 F 
ENDBRANCH   5  13
BRANCH   1  18
ATOM     17  C   LIG    1       -2.032   2.630   0.393  0.00  0.00    +0.130 C 
ATOM     18  N   LIG    1       -2.464   1.457  -0.374  0.00  0.00    -0.321 N 
ATOM     19  C   LIG    1       -2.852   1.766  -1.752  0.00  0.00    +0.130 C 
ENDBRANCH   1  18
TORSDOF 3