REMARK  Name = BDB018498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.181  -0.262   0.410  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1        0.854   0.113  -0.418  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        1.687   0.937   0.307  0.00  0.00    -0.239 N 
ATOM      4  N   LIG    1        1.185   1.165   1.547  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        0.079   0.421   1.610  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  12
ATOM      6  C   LIG    1       -1.619  -4.378  -1.715  0.00  0.00    +0.152 C 
ATOM      7  N   LIG    1       -2.001  -3.183  -0.976  0.00  0.00    -0.318 N 
ATOM      8  C   LIG    1       -3.331  -2.993  -0.630  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1       -4.248  -3.767  -0.887  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -3.629  -1.740   0.104  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1       -2.658  -0.868   0.434  0.00  0.00    -0.004 A 
ATOM     12  C   LIG    1       -1.259  -1.147   0.063  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.012  -2.280  -0.628  0.00  0.00    +0.098 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -3.120   0.361   1.114  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -3.115   1.587   0.430  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -3.542   2.751   1.071  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1       -3.977   2.688   2.389  0.00  0.00    +0.123 A 
ATOM     18  F   LIG    1       -4.388   3.806   3.003  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -3.994   1.483   3.082  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -3.565   0.317   2.445  0.00  0.00    +0.011 A 
ENDBRANCH  11  14
ENDBRANCH   1  12
BRANCH   3  21
ATOM     21  C   LIG    1        2.925   1.522  -0.087  0.00  0.00    +0.076 A 
ATOM     22  C   LIG    1        3.751   0.981  -1.094  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.889   1.702  -1.499  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        5.238   2.904  -0.882  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.459   3.400   0.158  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.312   2.714   0.558  0.00  0.00    +0.028 A 
BRANCH  22  27
ATOM     27  C   LIG    1        3.580  -0.345  -1.668  0.00  0.00    +0.181 A 
ATOM     28  N   LIG    1        3.642  -1.510  -0.950  0.00  0.00    -0.239 N 
ATOM     29  H   LIG    1        3.811  -1.654   0.038  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1        3.410  -2.558  -1.750  0.00  0.00    -0.046 NA
ATOM     31  N   LIG    1        3.259  -2.039  -2.961  0.00  0.00    -0.023 NA
ATOM     32  N   LIG    1        3.373  -0.669  -2.929  0.00  0.00    -0.108 NA
ENDBRANCH  22  27
ENDBRANCH   3  21
TORSDOF 4