REMARK  Name = BDB018472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.928  -1.594   0.094  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -0.480  -1.831   0.287  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.038  -3.105   0.282  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.875  -4.191   0.104  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.298  -5.527   0.129  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.241  -4.047  -0.086  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -3.035  -4.968  -0.251  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.744  -2.652  -0.087  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -4.254   3.640  -0.099  0.00  0.00    +0.152 C 
ATOM     10  N   LIG    1       -3.688   2.302  -0.037  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -3.993   1.482   1.044  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1       -4.732   1.785   1.976  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.357   0.138   1.041  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1       -2.544  -0.257   0.042  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1       -2.300   0.672  -1.050  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -2.855   1.889  -1.059  0.00  0.00    +0.089 A 
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  C   LIG    1        0.442  -0.749   0.478  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.616  -0.548  -0.216  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        2.192   0.611   0.274  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1        1.435   1.137   1.258  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        0.387   0.323   1.380  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.416   1.227  -0.134  0.00  0.00    +0.085 A 
ATOM     23  C   LIG    1        3.861   2.454   0.408  0.00  0.00    +0.112 A 
ATOM     24  C   LIG    1        5.078   2.986  -0.042  0.00  0.00    +0.143 A 
ATOM     25  F   LIG    1        5.530   4.150   0.449  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1        5.853   2.345  -1.002  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        5.418   1.142  -1.539  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.210   0.585  -1.111  0.00  0.00    +0.029 A 
BRANCH  23  29
ATOM     29  C   LIG    1        3.161   3.239   1.387  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        2.654   3.935   2.167  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 4