REMARK  Name = BDB057087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.309  -0.343  -1.800  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        1.646  -0.517  -1.391  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.929   0.020  -0.154  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.361   0.814   0.098  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        2.478  -1.072  -2.104  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.043  -0.217   0.769  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1       -2.297  -1.489   0.786  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.274  -1.620  -0.351  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.815  -0.239  -0.830  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -2.018   0.587  -1.321  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -3.322   0.211  -0.601  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -4.252  -0.326   1.601  0.00  0.00    +0.084 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -3.960   1.979   2.656  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -4.905   1.019   1.948  0.00  0.00    +0.012 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        3.103  -0.161   0.605  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        3.304   0.694   1.697  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        4.442   0.574   2.514  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1        5.373  -0.435   2.236  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        5.173  -1.297   1.158  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        4.042  -1.162   0.349  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.633   1.493   3.693  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1        4.033   1.019   4.820  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        4.114   2.736   3.490  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        5.942   1.686   4.019  0.00  0.00    -0.166 F 
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     25  C   LIG    1       -0.002  -0.774  -3.172  0.00  0.00    +0.109 C 
BRANCH  25  26
ATOM     26  C   LIG    1        0.059   0.376  -4.184  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1        1.465   0.898  -4.437  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7