REMARK  Name = BDB004887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.884   0.270  -0.747  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.724  -0.524  -0.628  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.511   0.134  -0.345  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.365  -0.680  -0.215  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.407  -2.009  -0.391  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.598  -2.537  -0.666  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.479   1.545  -0.214  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.631   2.308  -0.338  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.750  -1.868  -0.781  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.832   1.670  -0.600  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.366  -1.644  -1.184  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        4.556  -2.253  -1.122  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        6.274  -2.032  -1.396  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.240  -0.295  -1.036  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.228   0.425  -1.139  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.878  -0.083   0.084  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.781   0.473   0.930  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.996  -1.012   0.195  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.245  -0.223   0.521  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1       -3.810  -0.272   1.804  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -4.952   0.473   2.089  0.00  0.00    +0.159 A 
ATOM     22  F   LIG    1       -5.481   0.414   3.319  0.00  0.00    -0.202 F 
ATOM     23  C   LIG    1       -5.537   1.270   1.113  0.00  0.00    +0.158 A 
ATOM     24  F   LIG    1       -6.635   1.986   1.395  0.00  0.00    -0.202 F 
ATOM     25  C   LIG    1       -4.988   1.336  -0.162  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1       -3.842   0.593  -0.457  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4