REMARK  Name = BDB029604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.010   1.935  -2.163  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.647   1.985  -0.985  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.682   2.251  -0.678  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        1.199   2.337   0.679  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        0.367   3.305   1.494  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -0.677   2.624   2.164  0.00  0.00    -0.487 OA
ATOM      7  C   LIG    1       -1.638   1.994   1.431  0.00  0.00    +0.168 A 
ATOM      8  C   LIG    1       -2.722   1.590   2.232  0.00  0.00    +0.167 A 
ATOM      9  F   LIG    1       -2.707   1.854   3.549  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1       -3.833   0.925   1.722  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1       -3.906   0.635   0.369  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.822   1.020  -0.433  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -1.677   1.699   0.067  0.00  0.00    +0.083 A 
ENDROOT
BRANCH  11  14
ATOM     14  N   LIG    1       -4.973  -0.066  -0.217  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -5.084   0.111  -1.212  0.00  0.00    +0.152 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -5.909  -0.972   0.312  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1       -7.160  -1.119  -0.280  0.00  0.00    +0.158 A 
ATOM     18  N   LIG    1       -8.125  -1.944   0.186  0.00  0.00    -0.156 NA
ATOM     19  N   LIG    1       -7.885  -2.675   1.298  0.00  0.00    -0.158 NA
ATOM     20  C   LIG    1       -6.691  -2.561   1.913  0.00  0.00    +0.137 A 
ATOM     21  C   LIG    1       -5.687  -1.725   1.458  0.00  0.00    +0.046 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
BRANCH   3  22
ATOM     22  C   LIG    1        1.665   2.304  -1.768  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.547   1.041  -1.867  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1        3.673   1.351  -2.704  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1        3.355   1.396  -3.623  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1        1.773  -0.175  -2.433  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1        2.289  -1.535  -2.209  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1        1.898  -2.126  -0.925  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1        2.800  -1.783   0.234  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        4.157  -1.492   0.018  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1        4.991  -1.226   1.113  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        4.485  -1.262   2.412  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        3.142  -1.562   2.628  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        4.707  -1.395  -1.383  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1        2.304  -1.828   1.545  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1        3.705  -1.768  -2.493  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7