REMARK  Name = BDB049666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.116  -0.642  -0.723  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.822   0.401  -0.115  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.180   0.177  -0.016  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.460  -0.792  -0.051  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.258   1.405   0.307  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        2.860   0.764   0.112  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        1.860   1.436  -0.721  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        0.980   0.494  -1.544  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.363  -0.637  -0.705  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        0.957  -0.716   0.708  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.474  -0.546   0.630  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.262   0.940  -0.309  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        4.574   0.154  -1.591  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1        5.225   0.575   0.849  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1        7.500   1.111  -0.251  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        6.541   1.364   0.896  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -4.170   1.084   0.415  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -3.955   2.456   0.564  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -4.993   3.309   0.982  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1       -6.255   2.764   1.256  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -6.481   1.398   1.097  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.444   0.565   0.674  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.732   4.784   1.159  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1       -4.128   5.068   2.346  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -5.871   5.534   1.135  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -3.929   5.307   0.191  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1       -1.752  -1.611  -1.621  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.034  -2.962  -1.000  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -2.386  -4.027  -1.845  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -2.685  -5.287  -1.325  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.642  -5.501   0.051  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.302  -4.455   0.904  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.003  -3.193   0.384  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8