REMARK  Name = BDB020550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.427  -1.008   0.277  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1        2.336  -0.512   0.894  0.00  0.00    -0.254 NA
ATOM      3  C   LIG    1        1.202  -0.377   0.161  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        1.072  -0.697  -1.200  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.238  -1.203  -1.818  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        2.214  -1.545  -3.180  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        1.053  -1.389  -3.932  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1       -0.095  -0.889  -3.329  0.00  0.00    +0.133 A 
ATOM      9  F   LIG    1       -1.193  -0.758  -4.089  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -0.113  -0.534  -1.974  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        3.414  -1.359  -1.069  0.00  0.00    +0.037 A 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1       -1.340  -0.029  -1.383  0.00  0.00    +0.097 A 
ATOM     13  C   LIG    1       -2.128   1.000  -1.853  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -2.073   1.893  -3.024  0.00  0.00    +0.163 C 
ATOM     15  N   LIG    1       -2.667   3.180  -2.687  0.00  0.00    -0.297 N 
ATOM     16  C   LIG    1       -3.841   3.258  -1.942  0.00  0.00    +0.235 C 
ATOM     17  C   LIG    1       -4.216   2.069  -1.075  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -4.571   4.252  -1.958  0.00  0.00    -0.274 OA
ATOM     19  C   LIG    1       -2.347   4.287  -3.571  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -3.154   1.095  -0.953  0.00  0.00    -0.320 N 
ATOM     21  C   LIG    1       -2.973   0.145   0.018  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -1.868  -0.535  -0.219  0.00  0.00    -0.232 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.895  -0.068   1.188  0.00  0.00    +0.059 C 
ATOM     24  C   LIG    1       -4.054  -1.564   1.509  0.00  0.00    +0.039 C 
ATOM     25  C   LIG    1       -3.121  -1.970   2.640  0.00  0.00    +0.160 C 
ATOM     26  O   LIG    1       -3.424  -1.279   3.854  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1       -3.866   0.068   3.696  0.00  0.00    +0.160 C 
ATOM     28  C   LIG    1       -3.381   0.714   2.408  0.00  0.00    +0.039 C 
ENDBRANCH  21  23
ENDBRANCH  10  12
BRANCH   1  31
ATOM     29  C   LIG    1        4.058   0.254   3.255  0.00  0.00    +0.068 C 
ATOM     30  C   LIG    1        4.910  -0.610   2.398  0.00  0.00    +0.069 A 
ATOM     31  C   LIG    1        4.617  -1.143   1.107  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        5.745  -1.875   0.786  0.00  0.00    +0.118 A 
ATOM     33  N   LIG    1        6.603  -1.743   1.837  0.00  0.00    -0.274 N 
ATOM     34  C   LIG    1        7.912  -2.335   1.970  0.00  0.00    +0.172 C 
ATOM     35  N   LIG    1        6.129  -0.972   2.825  0.00  0.00    -0.176 NA
ENDBRANCH   1  31
TORSDOF 3