REMARK  Name = BDB033036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.070  -0.159  -0.905  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -1.181   0.660  -0.570  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -2.138   0.233  -1.564  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.811  -0.999  -2.101  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -2.481  -1.656  -2.882  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.501  -1.443  -1.505  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.562   0.622   0.891  0.00  0.00    +0.218 C 
ATOM      8  N   LIG    1        0.951  -0.422   0.222  0.00  0.00    -0.310 N 
ATOM      9  H   LIG    1        1.461  -1.299   0.219  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.283   1.800   0.688  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.577   0.197   1.939  0.00  0.00    +0.131 C 
BRANCH  11  14
ATOM     12  C   LIG    1        5.616  -0.847  -0.120  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        4.581  -0.082   0.421  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        3.707  -0.633   1.376  0.00  0.00    -0.035 A 
ATOM     15  C   LIG    1        3.893  -1.958   1.792  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        4.926  -2.723   1.255  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        5.780  -2.168   0.302  0.00  0.00    +0.045 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.414   0.917  -1.500  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        6.521  -0.429  -1.055  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH  11  14
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.429   0.873  -1.734  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.389   0.551  -0.605  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -4.763   1.496   0.379  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -5.650   1.105   1.401  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -6.161  -0.191   1.455  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.799  -1.118   0.486  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.922  -0.751  -0.534  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -4.252   2.920   0.359  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1       -4.612   3.587  -0.773  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -4.706   3.681   1.394  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -2.894   2.990   0.421  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7