REMARK  Name = BDB017811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.621  -2.551   1.086  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.791  -2.285   0.646  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.399  -3.462   0.198  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -2.714  -3.466  -0.229  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -3.422  -2.260  -0.208  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.832  -1.063   0.254  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.466  -4.626   0.315  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -1.499  -1.088   0.692  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        0.889  -3.916   0.419  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.626   0.159   0.265  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1       -4.905   0.232  -0.286  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1       -5.276   1.466  -0.077  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -6.460   2.299  -0.360  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -5.901   3.723  -0.109  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -4.686   3.547   0.822  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1       -4.317   2.171   0.574  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1       -3.252   1.385   0.806  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1        2.807  -1.435   1.168  0.00  0.00    +0.245 C 
ATOM     19  N   LIG    1        1.546  -1.540   0.628  0.00  0.00    -0.305 N 
ATOM     20  H   LIG    1        1.243  -0.934  -0.119  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1        3.201  -2.127   2.100  0.00  0.00    -0.270 OA
BRANCH  18  26
ATOM     22  C   LIG    1        6.405   2.608  -0.951  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1        5.448   1.562  -0.443  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1        4.472   0.982  -1.286  0.00  0.00    +0.058 A 
ATOM     25  C   LIG    1        3.606   0.001  -0.759  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        3.701  -0.399   0.580  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        4.684   0.164   1.396  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        5.547   1.138   0.891  0.00  0.00    +0.004 A 
BRANCH  24  29
ATOM     29  C   LIG    1        4.339   1.389  -2.739  0.00  0.00    +0.418 C 
ATOM     30  F   LIG    1        5.486   1.202  -3.448  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        3.375   0.694  -3.407  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        4.011   2.702  -2.886  0.00  0.00    -0.166 F 
ENDBRANCH  24  29
ENDBRANCH  18  26
ENDBRANCH   1  19
TORSDOF 4