REMARK  Name = BDB035868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.112   2.046   0.362  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1       -0.913   3.067   0.081  0.00  0.00    +0.090 C 
ATOM      3  C   LIG    1       -2.272   2.496  -0.362  0.00  0.00    +0.052 C 
ATOM      4  C   LIG    1       -2.684   1.282   0.443  0.00  0.00    -0.022 C 
ATOM      5  C   LIG    1       -1.798   0.693   1.270  0.00  0.00    -0.006 C 
ATOM      6  C   LIG    1       -0.372   1.147   1.422  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.057   0.819   0.301  0.00  0.00    +0.083 A 
ATOM      8  N   LIG    1       -5.015   1.823   0.377  0.00  0.00    -0.250 NA
ATOM      9  C   LIG    1       -6.272   1.483   0.260  0.00  0.00    +0.158 A 
ATOM     10  C   LIG    1       -6.667   0.120   0.048  0.00  0.00    +0.156 A 
ATOM     11  N   LIG    1       -5.689  -0.832  -0.029  0.00  0.00    -0.303 N 
ATOM     12  C   LIG    1       -6.312  -2.030  -0.235  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1       -7.674  -1.748  -0.275  0.00  0.00    +0.162 A 
ATOM     14  N   LIG    1       -7.873  -0.378  -0.094  0.00  0.00    -0.222 NA
ATOM     15  C   LIG    1       -4.361  -0.481   0.097  0.00  0.00    +0.120 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -8.817  -2.705  -0.477  0.00  0.00    +0.436 C 
ATOM     17  F   LIG    1       -9.543  -2.411  -1.586  0.00  0.00    -0.164 F 
ATOM     18  F   LIG    1       -9.675  -2.710   0.576  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1       -8.380  -3.985  -0.627  0.00  0.00    -0.164 F 
ENDBRANCH  13  16
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1        0.512   1.327  -0.858  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1        6.461  -1.151   0.116  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        6.467   0.278   0.578  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1        7.470   0.801   1.051  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1        5.295   0.979   0.449  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1        5.314   1.940   0.763  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        4.122   0.422  -0.070  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        4.108  -0.907  -0.487  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1        3.021  -1.523  -0.998  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1        1.898  -0.772  -1.092  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1        1.804   0.562  -0.696  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1        2.957   1.169  -0.180  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1        5.331  -1.693  -0.373  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1        8.749  -1.592  -0.827  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        7.741  -1.927   0.264  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5