REMARK  Name = BDB014131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.672   0.062   0.364  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1        2.388  -0.081  -0.172  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        1.392  -0.678   0.595  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        1.625  -1.125   1.853  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1        2.864  -0.967   2.356  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1        3.909  -0.382   1.663  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        6.046   0.401  -0.497  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1        4.702   0.690  -0.442  0.00  0.00    +0.124 A 
ATOM      9  N   LIG    1        4.427   1.687  -1.345  0.00  0.00    -0.129 NA
ATOM     10  N   LIG    1        5.559   2.038  -1.939  0.00  0.00    -0.067 NA
ATOM     11  N   LIG    1        6.530   1.269  -1.432  0.00  0.00    -0.253 N 
ATOM     12  H   LIG    1        7.477   1.383  -1.780  0.00  0.00    +0.191 HD
BRANCH   7  14
ATOM     13  F   LIG    1        7.175  -0.220   1.443  0.00  0.00    -0.164 F 
ATOM     14  C   LIG    1        6.927  -0.559   0.155  0.00  0.00    +0.436 C 
ATOM     15  F   LIG    1        8.133  -0.624  -0.468  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        6.419  -1.813   0.159  0.00  0.00    -0.164 F 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1        0.035  -0.853   0.085  0.00  0.00    +0.107 A 
ATOM     18  N   LIG    1       -0.856  -1.795   0.562  0.00  0.00    -0.234 NA
ATOM     19  C   LIG    1       -1.957  -1.635  -0.135  0.00  0.00    +0.200 A 
ATOM     20  N   LIG    1       -1.827  -0.620  -1.037  0.00  0.00    -0.336 N 
ATOM     21  C   LIG    1       -0.560  -0.117  -0.923  0.00  0.00    +0.117 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.848  -0.163  -1.959  0.00  0.00    +0.127 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.627   1.048  -1.440  0.00  0.00    +0.058 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.589   0.710  -0.321  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1       -5.865   0.168  -0.552  0.00  0.00    +0.044 A 
ATOM     26 CL   LIG    1       -6.447  -0.142  -2.149  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -6.708  -0.149   0.517  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -6.288   0.065   1.829  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.025   0.596   2.074  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.182   0.916   1.008  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   3  17
TORSDOF 6