REMARK  Name = BDB040747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.656   1.386   0.341  0.00  0.00    -0.328 N 
ATOM      2  C   LIG    1        0.443   0.583   0.141  0.00  0.00    +0.127 C 
ATOM      3  C   LIG    1       -0.657   1.621  -0.165  0.00  0.00    +0.095 C 
ATOM      4  C   LIG    1       -0.158   2.870   0.548  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1        1.349   2.814   0.324  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        5.577  -0.233   0.402  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        4.452  -1.049   0.424  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1        4.596  -2.382   0.459  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        3.158  -0.519   0.401  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1        2.927   0.863   0.354  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        4.066   1.679   0.336  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1        5.356   1.140   0.357  0.00  0.00    +0.132 A 
ATOM     13  F   LIG    1        6.401   1.980   0.322  0.00  0.00    -0.205 F 
BRANCH   6  20
ATOM     14  O   LIG    1       11.104  -0.640   0.317  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        9.876  -0.649   0.309  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        9.157  -0.222   1.396  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1        9.700   0.097   2.187  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        7.800  -0.308   1.601  0.00  0.00    +0.227 C 
ATOM     19  O   LIG    1        7.327  -0.045   2.705  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        6.968  -0.824   0.428  0.00  0.00    +0.111 C 
ATOM     21  C   LIG    1        7.693  -0.583  -0.901  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1        9.081  -1.200  -0.849  0.00  0.00    +0.097 C 
ENDBRANCH   6  20
ENDBRANCH   1  10
BRANCH   3  23
ATOM     23  N   LIG    1       -1.982   1.227   0.263  0.00  0.00    -0.277 N 
ATOM     24  H   LIG    1       -2.330   1.481   1.177  0.00  0.00    +0.152 HD
ATOM     25  C   LIG    1       -2.664   0.228  -0.361  0.00  0.00    +0.401 C 
ATOM     26  O   LIG    1       -2.300  -0.344  -1.377  0.00  0.00    -0.226 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -3.792  -0.041   0.338  0.00  0.00    -0.450 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.598  -1.084  -0.226  0.00  0.00    +0.237 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.829  -1.255   0.656  0.00  0.00    +0.028 C 
ATOM     30  C   LIG    1       -6.880  -0.105   0.605  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1       -7.711  -0.994  -0.291  0.00  0.00    -0.029 C 
ATOM     32  C   LIG    1       -7.832  -0.621  -1.754  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -9.252  -0.103  -1.410  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1       -9.212  -0.988  -0.138  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1       -6.920  -2.215   0.094  0.00  0.00    +0.013 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  23
TORSDOF 6