REMARK  Name = BDB033086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.172  -1.734  -0.475  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        1.148  -0.972  -0.548  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.995  -1.678   0.380  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.258  -2.401   1.304  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        1.697  -3.001   2.272  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.204  -2.266   0.957  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.549  -1.490  -1.121  0.00  0.00    +0.266 C 
ATOM      8  N   LIG    1       -1.329  -0.928  -0.805  0.00  0.00    -0.305 N 
ATOM      9  H   LIG    1       -1.361   0.064  -0.573  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -2.736  -2.691  -1.286  0.00  0.00    -0.268 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -4.028   3.127  -0.795  0.00  0.00    +0.065 C 
ATOM     12  C   LIG    1       -4.361   1.692  -1.076  0.00  0.00    +0.039 A 
ATOM     13  N   LIG    1       -3.356   0.789  -0.978  0.00  0.00    -0.244 NA
ATOM     14  C   LIG    1       -3.676  -0.514  -1.239  0.00  0.00    +0.167 A 
ATOM     15  C   LIG    1       -4.952  -0.951  -1.587  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -5.960  -0.003  -1.679  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1       -5.665   1.335  -1.422  0.00  0.00    +0.026 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -5.285  -2.251  -1.844  0.00  0.00    -0.504 OA
ATOM     19  H   LIG    1       -4.479  -2.804  -1.725  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        3.413  -1.400   0.520  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.678  -0.074   1.206  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        4.152   1.068   0.518  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1        4.358   2.263   1.236  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        4.103   2.334   2.605  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.640   1.212   3.282  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.431   0.020   2.590  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1        4.454   1.044  -0.963  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1        5.420   0.140  -1.287  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        3.365   0.716  -1.713  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        4.889   2.238  -1.455  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6