REMARK  Name = BDB055780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.114  -1.758   0.330  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        1.848  -0.547   0.237  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        3.248  -0.592   0.269  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        3.913  -1.815   0.375  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        3.174  -3.004   0.450  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        1.773  -2.984   0.428  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        1.126   0.667   0.128  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        1.209   1.514   1.348  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        1.883   2.877   1.073  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        1.216   3.658   0.010  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        2.082   4.736  -0.459  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        0.751   2.796  -1.098  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        1.390   1.390  -1.139  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  C   LIG    1       -1.257  -2.578   0.430  0.00  0.00    +0.248 C 
ATOM     15  N   LIG    1       -0.288  -1.609   0.308  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -0.554  -0.628   0.264  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -1.067  -3.773   0.622  0.00  0.00    -0.270 OA
BRANCH  14  23
ATOM     18  C   LIG    1       -4.343  -0.532  -0.475  0.00  0.00    +0.156 A 
ATOM     19  C   LIG    1       -5.309  -1.232   0.258  0.00  0.00    +0.165 A 
ATOM     20  F   LIG    1       -6.591  -0.835   0.233  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -4.975  -2.348   1.019  0.00  0.00    +0.043 A 
ATOM     22  C   LIG    1       -3.650  -2.777   1.064  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1       -2.664  -2.083   0.350  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -3.016  -0.969  -0.433  0.00  0.00    +0.061 A 
BRANCH  18  26
ATOM     25  C   LIG    1       -3.849   1.316  -1.901  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.805   0.540  -1.190  0.00  0.00    -0.492 OA
ENDBRANCH  18  26
ENDBRANCH  14  23
ENDBRANCH   1  15
BRANCH   5  27
ATOM     27  N   LIG    1        3.883  -4.286   0.556  0.00  0.00    +0.056 N 
ATOM     28  O   LIG    1        3.218  -5.328   0.483  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1        5.113  -4.248   0.707  0.00  0.00    -0.126 OA
ENDBRANCH   5  27
TORSDOF 5