REMARK  Name = BDB021984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.044  -1.197  -3.170  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        2.258  -0.389  -2.270  0.00  0.00    +0.308 C 
ATOM      3  N   LIG    1        3.548   0.031  -2.079  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        4.135  -0.236  -2.861  0.00  0.00    +0.156 HD
ATOM      5  N   LIG    1        1.309   0.204  -1.481  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        1.598   1.081  -1.073  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        4.191   0.632  -0.982  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        5.454   1.191  -1.212  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        6.181   1.798  -0.173  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1        5.624   1.835   1.112  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        4.382   1.252   1.355  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        3.673   0.645   0.315  0.00  0.00    +0.023 A 
BRANCH   9  13
ATOM     13  C   LIG    1        7.522   2.433  -0.449  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1        8.214   1.803  -1.438  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        8.345   2.439   0.636  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        7.406   3.731  -0.840  0.00  0.00    -0.166 F 
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   5  17
ATOM     17  C   LIG    1       -0.063  -0.105  -1.403  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -0.637  -1.240  -1.982  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -2.008  -1.487  -1.849  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -2.807  -0.610  -1.114  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -2.247   0.534  -0.542  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -0.878   0.779  -0.680  0.00  0.00    +0.024 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.256  -0.887  -1.002  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1       -4.813  -0.965   0.261  0.00  0.00    -0.298 N 
ATOM     25  C   LIG    1       -6.228  -1.246   0.422  0.00  0.00    +0.108 C 
ATOM     26  C   LIG    1       -6.457  -1.176   1.924  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1       -5.129  -1.669   2.486  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -4.108  -1.062   1.532  0.00  0.00    +0.108 C 
ATOM     29  O   LIG    1       -4.902  -1.048  -2.034  0.00  0.00    -0.270 OA
ENDBRANCH  20  23
ENDBRANCH   5  17
TORSDOF 4