REMARK  Name = BDB018966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.459  -1.461  -1.152  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1       -1.715  -0.907  -0.790  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -2.909  -1.293  -1.420  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -4.133  -0.724  -1.026  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -4.196   0.270  -0.038  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -3.011   0.698   0.579  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.914  -2.334  -2.506  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.540  -2.454  -3.143  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.790   0.113   0.176  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.499  -2.633  -2.049  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        5.193   1.446  -0.463  0.00  0.00    +0.216 C 
ATOM     12  N   LIG    1        5.099   0.190   0.124  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1        4.410  -0.866  -0.607  0.00  0.00    +0.146 C 
ATOM     14  C   LIG    1        3.100  -1.258   0.026  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        2.968  -1.699   1.348  0.00  0.00    +0.125 A 
ATOM     16  C   LIG    1        1.703  -2.059   1.833  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.569  -1.986   1.024  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        0.673  -1.542  -0.294  0.00  0.00    +0.034 A 
ATOM     19  O   LIG    1        3.942  -1.813   2.298  0.00  0.00    -0.490 OA
ATOM     20  C   LIG    1        5.298  -1.534   1.960  0.00  0.00    +0.248 C 
ATOM     21  C   LIG    1        1.940  -1.188  -0.778  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1        5.511  -0.092   1.502  0.00  0.00    +0.149 C 
ATOM     23  O   LIG    1        4.754   1.685  -1.590  0.00  0.00    -0.276 OA
BRANCH  11  25
ATOM     24  C   LIG    1        7.407   2.518  -0.011  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        5.920   2.543   0.295  0.00  0.00    +0.092 C 
ENDBRANCH  11  25
ENDBRANCH   1  18
BRANCH   5  26
ATOM     26  C   LIG    1       -5.499   0.811   0.290  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.865   2.131   0.144  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -7.171   2.206   0.533  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -7.992   3.391   0.588  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -7.700   1.016   0.874  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -6.677   0.169   0.731  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -2.977   1.761   1.647  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -3.911   1.592   2.624  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -3.161   3.019   1.154  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4