REMARK  Name = BDB018414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.080   4.623  -0.786  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.255   3.188  -0.622  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.501   2.624  -0.857  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.505   3.240  -1.200  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.585   1.155  -0.674  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.519   0.433  -0.280  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -1.231   1.099  -0.022  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.169   2.433  -0.214  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.744  -1.026  -0.190  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -2.183  -1.884  -1.149  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -2.385  -3.263  -1.062  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -3.148  -3.780  -0.022  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1       -3.341  -5.103   0.059  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -3.713  -2.946   0.936  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -3.513  -1.567   0.853  0.00  0.00    +0.011 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -0.071   0.377   0.418  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        1.205   0.505  -0.089  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1        2.025  -0.341   0.628  0.00  0.00    -0.238 N 
ATOM     19  N   LIG    1        1.299  -1.060   1.528  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1        0.053  -0.599   1.417  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.436  -0.558   0.524  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1        4.328   0.313  -0.129  0.00  0.00    +0.077 A 
ATOM     23  C   LIG    1        5.696  -0.022  -0.199  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        6.183  -1.192   0.382  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.312  -2.040   1.052  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.954  -1.725   1.128  0.00  0.00    +0.029 A 
BRANCH  22  27
ATOM     27  C   LIG    1        3.969   1.588  -0.678  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1        3.695   2.624  -1.125  0.00  0.00    -0.191 NA
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   7  16
TORSDOF 4