REMARK  Name = BDB040741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.349   0.963  -0.249  0.00  0.00    -0.270 N 
ATOM      2  C   LIG    1       -0.548   1.585   0.725  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -0.884   2.147   1.758  0.00  0.00    -0.273 OA
ATOM      4  C   LIG    1        0.912   1.404   0.300  0.00  0.00    +0.164 C 
ATOM      5  C   LIG    1        0.782   1.199  -1.200  0.00  0.00    +0.051 C 
ATOM      6  C   LIG    1       -0.527   0.444  -1.322  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.592   0.420  -0.145  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -4.799  -0.178  -1.120  0.00  0.00    +0.132 A 
ATOM      9  F   LIG    1       -5.354  -0.972  -2.045  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -3.413  -0.000  -1.158  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -2.759   0.787  -0.202  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1       -3.547   1.377   0.791  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1       -4.932   1.192   0.811  0.00  0.00    +0.132 A 
ATOM     14  F   LIG    1       -5.639   1.772   1.791  0.00  0.00    -0.205 F 
BRANCH   7  21
ATOM     15  O   LIG    1       -8.484  -3.252  -1.816  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -8.126  -2.225  -1.246  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -8.321  -0.994  -1.818  0.00  0.00    -0.256 N 
ATOM     18  H   LIG    1       -8.735  -1.007  -2.740  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1       -7.775   0.206  -1.432  0.00  0.00    +0.227 C 
ATOM     20  O   LIG    1       -7.810   1.177  -2.186  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -7.095   0.254  -0.070  0.00  0.00    +0.111 C 
ATOM     22  C   LIG    1       -7.524  -0.929   0.806  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -7.389  -2.252   0.071  0.00  0.00    +0.097 C 
ENDBRANCH   7  21
ENDBRANCH   1  11
BRANCH   4  24
ATOM     24  N   LIG    1        1.719   2.545   0.677  0.00  0.00    -0.270 N 
ATOM     25  H   LIG    1        1.304   3.241   1.287  0.00  0.00    +0.153 HD
ATOM     26  C   LIG    1        3.077   2.595   0.615  0.00  0.00    +0.401 C 
ATOM     27  O   LIG    1        3.715   3.511   1.114  0.00  0.00    -0.226 OA
BRANCH  26  28
ATOM     28  O   LIG    1        3.607   1.534  -0.043  0.00  0.00    -0.450 OA
BRANCH  28  29
ATOM     29  C   LIG    1        5.040   1.513  -0.146  0.00  0.00    +0.237 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.624   0.813   1.076  0.00  0.00    +0.028 C 
ATOM     31  C   LIG    1        7.138   0.459   0.975  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1        6.726  -0.964   0.708  0.00  0.00    -0.029 C 
ATOM     33  C   LIG    1        6.895  -1.535  -0.684  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        7.189  -2.891   0.007  0.00  0.00    +0.001 C 
ATOM     35  C   LIG    1        7.519  -2.103   1.300  0.00  0.00    +0.007 C 
ATOM     36  C   LIG    1        5.323  -0.710   1.208  0.00  0.00    +0.013 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   4  24
TORSDOF 6