REMARK  Name = BDB018477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.287   1.716  -0.773  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1        0.132   1.875  -0.414  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.700   3.081  -0.621  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        0.007   4.158  -1.144  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        0.708   5.422  -1.309  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.336   4.077  -1.489  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -2.006   5.000  -1.943  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.974   2.755  -1.282  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -3.702  -0.916   0.488  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1       -3.464  -1.960  -0.424  0.00  0.00    -0.009 A 
ATOM     11  C   LIG    1       -4.211  -3.261  -0.315  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -2.515  -1.787  -1.443  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.810  -0.590  -1.557  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -2.043   0.451  -0.654  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1       -2.992   0.283   0.366  0.00  0.00    +0.054 A 
BRANCH   9  17
ATOM     16  C   LIG    1       -4.857  -0.180   2.444  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -4.645  -1.173   1.449  0.00  0.00    -0.495 OA
ENDBRANCH   9  17
ENDBRANCH   1  14
BRANCH   2  18
ATOM     18  C   LIG    1        0.898   0.797   0.141  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        2.126   0.355  -0.301  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1        2.504  -0.696   0.516  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1        1.577  -0.914   1.470  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1        0.608  -0.030   1.236  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.684  -1.497   0.430  0.00  0.00    +0.085 A 
ATOM     24  C   LIG    1        3.999  -2.484   1.391  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1        5.171  -3.235   1.225  0.00  0.00    +0.143 A 
ATOM     26  F   LIG    1        5.503  -4.179   2.119  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1        6.029  -3.036   0.147  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        5.725  -2.066  -0.797  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.563  -1.301  -0.659  0.00  0.00    +0.029 A 
BRANCH  24  30
ATOM     30  C   LIG    1        3.227  -2.784   2.566  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1        2.669  -3.075   3.542  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 5