REMARK  Name = BDB033056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.334  -0.746  -0.918  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -1.806   0.681  -0.639  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -3.199   0.653  -1.022  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -3.409  -0.297  -2.014  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -4.391  -0.401  -2.732  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -2.173  -1.154  -2.127  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.037  -0.496  -0.252  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        0.089  -0.886  -1.172  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        0.398  -1.584  -1.847  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.753   0.173   0.737  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        4.808  -0.698   0.207  0.00  0.00    -0.041 A 
ATOM     12  C   LIG    1        3.440  -0.382   0.345  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        2.453  -0.915  -0.507  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1        2.848  -1.795  -1.520  0.00  0.00    +0.129 A 
ATOM     15  C   LIG    1        4.195  -2.123  -1.679  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        5.161  -1.579  -0.825  0.00  0.00    +0.008 A 
BRANCH  11  18
ATOM     17  C   LIG    1        5.511  -0.494   2.620  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1        5.841  -0.082   1.169  0.00  0.00    -0.013 C 
ATOM     19  C   LIG    1        7.295  -0.525   0.889  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1        5.804   1.457   1.055  0.00  0.00    +0.015 C 
ENDBRANCH  11  18
BRANCH  14  21
ATOM     21  O   LIG    1        1.930  -2.358  -2.370  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1        2.399  -2.946  -2.989  0.00  0.00    +0.292 HD
ENDBRANCH  14  21
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1       -4.045   1.819  -0.875  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.405   1.482  -0.296  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1       -5.580   1.028   1.033  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1       -6.881   0.731   1.487  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -7.988   0.882   0.654  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.815   1.323  -0.652  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.536   1.617  -1.123  0.00  0.00    +0.006 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -4.416   0.820   1.977  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1       -3.690  -0.296   1.691  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -4.802   0.675   3.279  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -3.536   1.860   1.984  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7