REMARK  Name = BDB018451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.052   0.144  -0.428  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        1.182   0.359   0.147  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        2.073  -0.529  -0.433  0.00  0.00    -0.236 N 
ATOM      4  N   LIG    1        1.452  -1.283  -1.372  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        0.179  -0.886  -1.354  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -2.565   0.146  -0.015  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -1.273   0.842  -0.130  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -1.270   2.180   0.046  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1       -2.416   2.906   0.320  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.304   4.348   0.476  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.662   2.307   0.425  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1       -4.714   2.897   0.653  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.689   0.836   0.244  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1       -2.489  -1.222  -0.173  0.00  0.00    -0.491 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -3.322  -3.451  -0.268  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -3.683  -1.993  -0.053  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1        3.458  -0.681  -0.141  0.00  0.00    +0.100 A 
ATOM     18  C   LIG    1        4.239  -1.616  -0.831  0.00  0.00    +0.149 A 
ATOM     19  F   LIG    1        3.738  -2.405  -1.792  0.00  0.00    -0.203 F 
ATOM     20  C   LIG    1        5.598  -1.764  -0.544  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        6.197  -0.981   0.439  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        5.434  -0.048   1.135  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.072   0.105   0.850  0.00  0.00    +0.031 A 
ENDBRANCH   3  17
TORSDOF 4