REMARK  Name = BDB021979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.807   1.547   1.242  0.00  0.00    +0.180 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1       -2.707  -0.312   0.331  0.00  0.00    -0.325 N 
ATOM      3  C   LIG    1       -2.108  -0.832   1.568  0.00  0.00    +0.120 C 
ATOM      4  C   LIG    1       -0.982   0.117   2.038  0.00  0.00    +0.104 C 
ATOM      5  N   LIG    1        0.158   0.216   1.092  0.00  0.00    -0.291 NA
ATOM      6  C   LIG    1       -0.305  -0.006  -0.305  0.00  0.00    +0.104 C 
ATOM      7  C   LIG    1       -1.781   0.354  -0.608  0.00  0.00    +0.120 C 
BRANCH   2   9
ATOM      8  C   LIG    1       -4.683  -0.165  -1.140  0.00  0.00    +0.141 A 
ATOM      9  C   LIG    1       -3.895  -0.840  -0.176  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1       -4.393  -2.080   0.261  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -5.566  -2.641  -0.264  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -6.285  -1.970  -1.246  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -5.842  -0.731  -1.688  0.00  0.00    +0.047 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -4.856   2.078  -0.706  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -4.346   1.089  -1.603  0.00  0.00    -0.493 OA
ENDBRANCH   8  15
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1        2.223   1.557   0.642  0.00  0.00    +0.231 C 
ATOM     17  N   LIG    1        2.800   0.300   0.637  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        2.164  -0.433   0.946  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        2.743   2.604   0.271  0.00  0.00    -0.274 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.079  -0.076   0.201  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        5.038   0.825  -0.266  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        6.304   0.379  -0.686  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1        6.596  -0.992  -0.640  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        5.645  -1.896  -0.172  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        4.394  -1.439   0.247  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1        7.316   1.372  -1.202  0.00  0.00    +0.417 C 
ATOM     27  F   LIG    1        6.998   1.847  -2.438  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        7.445   2.465  -0.399  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        8.571   0.851  -1.318  0.00  0.00    -0.166 F 
ENDBRANCH  22  26
ENDBRANCH  17  20
ENDBRANCH   1  16
TORSDOF 6