REMARK  Name = BDB016606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.437   0.854   0.234  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -1.719   2.178   0.121  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1       -2.969   2.512  -0.258  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -3.967   1.591  -0.525  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -3.670   0.235  -0.394  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.377  -0.138  -0.018  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -4.655  -0.792  -0.659  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1       -5.980  -0.814  -0.287  0.00  0.00    +0.166 A 
ATOM      9  N   LIG    1       -6.433  -2.009  -0.761  0.00  0.00    -0.253 N 
ATOM     10  H   LIG    1       -7.357  -2.425  -0.693  0.00  0.00    +0.191 HD
ATOM     11  N   LIG    1       -5.462  -2.692  -1.381  0.00  0.00    -0.067 NA
ATOM     12  N   LIG    1       -4.359  -1.960  -1.314  0.00  0.00    -0.129 NA
BRANCH   8  13
ATOM     13  C   LIG    1       -6.857   0.084   0.452  0.00  0.00    +0.436 C 
ATOM     14  F   LIG    1       -8.026  -0.526   0.777  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1       -6.304   0.519   1.607  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1       -7.183   1.180  -0.276  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1        2.013   0.613   1.229  0.00  0.00    -0.336 N 
ATOM     18  C   LIG    1        0.940   1.387   0.893  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1       -0.085   0.497   0.642  0.00  0.00    +0.107 A 
ATOM     20  N   LIG    1        0.354  -0.798   0.834  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1        1.615  -0.692   1.190  0.00  0.00    +0.200 A 
BRANCH  17  22
ATOM     22  C   LIG    1        3.332   1.095   1.588  0.00  0.00    +0.127 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.209   1.418   0.376  0.00  0.00    +0.056 C 
BRANCH  23  28
ATOM     24  F   LIG    1        6.029  -3.220  -2.267  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        5.599  -2.116  -1.643  0.00  0.00    +0.123 A 
ATOM     26  C   LIG    1        4.443  -1.484  -2.086  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        3.996  -0.333  -1.437  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        4.706   0.186  -0.343  0.00  0.00    -0.046 A 
ATOM     29  C   LIG    1        5.869  -0.469   0.092  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        6.315  -1.619  -0.561  0.00  0.00    +0.038 A 
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 6