REMARK  Name = BDB049877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.181  -1.022   0.154  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1        0.204  -0.713   0.164  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.183  -1.687  -0.102  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.546  -1.344  -0.084  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        2.963  -0.029   0.162  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.001   0.970   0.374  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        0.804  -3.121  -0.365  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.658  -3.244  -0.763  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.638   0.610   0.372  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -1.510  -2.458   0.222  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  21
ATOM     11  C   LIG    1       -4.517   0.500  -3.364  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -4.638   0.256  -1.865  0.00  0.00    +0.154 C 
ATOM     13  C   LIG    1       -5.546   1.319  -1.207  0.00  0.00    +0.237 C 
ATOM     14  O   LIG    1       -6.476   1.876  -1.790  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.343   1.539   0.135  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1       -5.988   2.167   0.593  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1       -4.262   0.987   0.834  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1       -4.168   1.180   2.212  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -3.086   0.648   2.913  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -2.098  -0.071   2.237  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -2.177  -0.265   0.848  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1       -3.277   0.265   0.135  0.00  0.00    +0.071 A 
ATOM     23  N   LIG    1       -3.293   0.215  -1.279  0.00  0.00    -0.330 N 
ATOM     24  H   LIG    1       -2.685  -0.532  -1.612  0.00  0.00    +0.147 HD
ENDBRANCH   1  21
BRANCH   5  25
ATOM     25  C   LIG    1        4.385   0.246   0.160  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.094   0.742   1.232  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1        6.393   0.824   0.823  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        7.519   1.293   1.593  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        6.584   0.402  -0.441  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        5.362   0.038  -0.839  0.00  0.00    +0.142 A 
ENDBRANCH   5  25
BRANCH   6  31
ATOM     31  C   LIG    1        2.374   2.412   0.608  0.00  0.00    +0.372 C 
ATOM     32  F   LIG    1        1.331   3.276   0.432  0.00  0.00    -0.204 F 
ATOM     33  F   LIG    1        2.813   2.639   1.879  0.00  0.00    -0.204 F 
ENDBRANCH   6  31
TORSDOF 3