REMARK  Name = BDB001096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.704   0.704   1.416  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        0.033   0.214   0.327  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.175   0.896  -0.107  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.569   2.075   0.517  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        2.648   2.750   0.095  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        0.850   2.568   1.601  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -0.282   1.884   2.050  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.895   0.393  -1.286  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        3.148  -0.181  -1.114  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        3.800  -0.406   0.182  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        5.287  -0.773   0.034  0.00  0.00    +0.100 C 
ATOM     12  N   LIG    1        5.535  -1.949  -0.814  0.00  0.00    -0.313 NA
ATOM     13  H   LIG    1        6.485  -1.896  -1.182  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        4.575  -2.050  -1.928  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1        3.828  -0.751  -2.279  0.00  0.00    +0.123 C 
ATOM     16  O   LIG    1        1.315   0.464  -2.367  0.00  0.00    -0.270 OA
ENDBRANCH   3   8
BRANCH   1  17
ATOM     17  C   LIG    1       -1.958  -0.003   1.871  0.00  0.00    +0.264 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -3.126   0.807   1.643  0.00  0.00    -0.484 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -4.474  -0.481   0.080  0.00  0.00    +0.116 A 
ATOM     20  C   LIG    1       -3.642   0.605   0.386  0.00  0.00    +0.171 A 
ATOM     21  C   LIG    1       -3.355   1.552  -0.602  0.00  0.00    +0.166 A 
ATOM     22  F   LIG    1       -2.606   2.625  -0.308  0.00  0.00    -0.202 F 
ATOM     23  C   LIG    1       -3.828   1.404  -1.901  0.00  0.00    +0.045 A 
ATOM     24  C   LIG    1       -4.622   0.304  -2.218  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1       -4.944  -0.626  -1.229  0.00  0.00    +0.139 A 
ATOM     26  F   LIG    1       -5.751  -1.642  -1.568  0.00  0.00    -0.205 F 
BRANCH  19  30
ATOM     27  N   LIG    1       -5.137  -1.030   2.349  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1       -5.055  -0.056   2.610  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -5.433  -1.702   3.044  0.00  0.00    +0.145 HD
ATOM     30  C   LIG    1       -4.874  -1.487   1.087  0.00  0.00    +0.248 C 
ATOM     31  O   LIG    1       -4.960  -2.677   0.820  0.00  0.00    -0.270 OA
ENDBRANCH  19  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5