REMARK  Name = BDB012938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.803   2.125  -0.997  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.052   2.133   0.090  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.369   1.048   1.013  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.699   1.467   1.662  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.603   2.991   1.654  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.896   3.290   0.340  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.790   3.066  -1.792  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.039  -0.773  -1.304  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -3.139  -0.197  -2.506  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -2.348   0.883  -2.414  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.278   1.510  -3.209  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -1.696   1.012  -1.214  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -2.160  -0.047  -0.460  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -2.881  -3.192  -0.664  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -3.812  -2.024  -0.998  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -4.819  -1.800   0.132  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.856   1.001   0.899  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        3.126   1.526   0.076  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.258  -0.322   0.989  0.00  0.00    +0.222 C 
ATOM     20  O   LIG    1        2.730  -1.115   1.757  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.383  -0.656   0.055  0.00  0.00    +0.208 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.815  -2.084   0.224  0.00  0.00    +0.398 C 
ATOM     23  F   LIG    1        5.837  -2.338  -0.635  0.00  0.00    -0.170 F 
ATOM     24  F   LIG    1        3.835  -2.960  -0.073  0.00  0.00    -0.170 F 
ATOM     25  F   LIG    1        5.279  -2.342   1.463  0.00  0.00    -0.170 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 5