REMARK  Name = BDB018561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.246  -5.522   0.304  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.196  -4.526   0.155  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        0.132  -4.923   0.222  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        0.520  -6.074   0.397  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.135  -3.840   0.072  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.765  -2.564  -0.146  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -0.664  -2.219  -0.243  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.562  -3.211  -0.078  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        1.867  -1.586  -0.218  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.080  -0.664   0.806  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1        3.063   0.265   0.805  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        3.876   0.281  -0.275  0.00  0.00    +0.215 A 
ATOM     13  C   LIG    1        3.755  -0.593  -1.344  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        2.734  -1.541  -1.314  0.00  0.00    +0.015 A 
BRANCH  12  15
ATOM     15  O   LIG    1        4.904   1.207  -0.353  0.00  0.00    -0.473 OA
BRANCH  15  16
ATOM     16  C   LIG    1        4.955   2.132   0.751  0.00  0.00    +0.175 C 
ATOM     17  C   LIG    1        5.790   3.362   0.510  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1        4.293   3.466   0.536  0.00  0.00    +0.048 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  19
ATOM     19  C   LIG    1       -1.106  -0.879  -0.508  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -2.073  -0.191   0.193  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -2.212   1.046  -0.398  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1       -1.319   1.194  -1.414  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1       -0.681   0.026  -1.490  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.096   2.124  -0.076  0.00  0.00    +0.085 A 
ATOM     25  C   LIG    1       -4.254   1.990   0.712  0.00  0.00    +0.112 A 
ATOM     26  C   LIG    1       -5.021   3.131   0.986  0.00  0.00    +0.143 A 
ATOM     27  F   LIG    1       -6.131   3.032   1.734  0.00  0.00    -0.204 F 
ATOM     28  C   LIG    1       -4.682   4.386   0.489  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1       -3.558   4.519  -0.313  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -2.775   3.398  -0.598  0.00  0.00    +0.029 A 
BRANCH  25  31
ATOM     31  C   LIG    1       -4.772   0.749   1.199  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1       -5.181  -0.268   1.581  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  21  24
ENDBRANCH   7  19
TORSDOF 6