REMARK  Name = BDB007097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.018   0.539  -0.487  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.490   1.498   0.404  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.874   1.769   0.412  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        2.690   2.660   1.161  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        3.988   2.497   0.737  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        3.999   1.518  -0.227  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1        2.713   1.065  -0.457  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        2.219   0.094  -1.342  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.844  -0.160  -1.337  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1       -1.842  -0.904  -0.865  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -1.471   0.219  -0.539  0.00  0.00    +0.244 C 
ATOM     12  N   LIG    1       -2.332   1.259  -0.240  0.00  0.00    -0.308 N 
ATOM     13  H   LIG    1       -1.964   2.200  -0.178  0.00  0.00    +0.149 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -3.752   1.101  -0.314  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -4.532   0.590   0.881  0.00  0.00    +0.041 C 
ATOM     16  C   LIG    1       -4.668   2.025   0.432  0.00  0.00    +0.033 C 
BRANCH  15  17
ATOM     17  C   LIG    1       -5.660  -0.391   0.669  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1       -5.439  -1.615   0.015  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -6.473  -2.537  -0.174  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -7.752  -2.253   0.295  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -7.995  -1.052   0.956  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.957  -0.135   1.142  0.00  0.00    +0.004 A 
ENDBRANCH  15  17
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  C   LIG    1        5.201   1.066  -0.924  0.00  0.00    +0.159 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.699  -0.254  -0.397  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        5.755  -1.371  -1.239  0.00  0.00    +0.131 A 
ATOM     26  F   LIG    1        5.359  -1.261  -2.515  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        6.215  -2.602  -0.789  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1        6.633  -2.721   0.528  0.00  0.00    +0.126 A 
ATOM     29  F   LIG    1        7.081  -3.901   0.975  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        6.598  -1.631   1.392  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        6.134  -0.397   0.932  0.00  0.00    +0.011 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 5