REMARK  Name = BDB051779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.017  -0.820  -0.646  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.777  -2.151  -0.968  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.166  -2.488  -1.859  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.517  -3.163  -0.365  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.519  -2.839   0.553  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.802  -1.498   0.861  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.033  -0.488   0.260  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        5.412   0.579  -0.941  0.00  0.00    +0.236 C 
ATOM      9  N   LIG    1        4.021   0.586  -0.900  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        3.310   1.025  -2.106  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        1.841   1.385  -1.856  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        1.113   0.332  -1.142  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1       -0.267   0.267  -1.299  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -0.915   1.093  -1.937  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        1.887  -0.477  -0.191  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        3.187   0.213   0.246  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1        6.042   0.974  -1.920  0.00  0.00    -0.274 OA
BRANCH   8  18
ATOM     18  C   LIG    1        6.198   0.092   0.267  0.00  0.00    +0.096 C 
ATOM     19  C   LIG    1        7.250  -0.977  -0.028  0.00  0.00    +0.034 C 
ATOM     20  C   LIG    1        6.058  -1.316   0.802  0.00  0.00    +0.034 C 
BRANCH  18  22
ATOM     21  C   LIG    1        5.652   1.863   1.909  0.00  0.00    +0.102 C 
ATOM     22  N   LIG    1        6.691   1.182   1.156  0.00  0.00    -0.306 NA
ATOM     23  H   LIG    1        7.193   1.863   0.582  0.00  0.00    +0.123 HD
ENDBRANCH  18  22
ENDBRANCH   8  18
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  C   LIG    1       -3.884  -1.170   1.867  0.00  0.00    +0.092 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.749   0.033   1.493  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1       -5.749  -0.079   0.375  0.00  0.00    -0.019 A 
ATOM     27  C   LIG    1       -5.921  -1.401  -0.311  0.00  0.00    +0.046 C 
ATOM     28  C   LIG    1       -6.439   1.040   0.075  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -7.447   1.198  -1.026  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1       -6.214   2.281   0.870  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -6.842   3.313   0.652  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -5.280   2.205   1.864  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -5.115   3.045   2.408  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -4.543   1.114   2.184  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 5