REMARK  Name = BDB027666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.092  -0.912  -1.188  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.111  -1.591  -1.876  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.408  -1.330  -1.437  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        3.425  -1.988  -2.113  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        3.267  -2.857  -3.147  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        2.003  -3.102  -3.531  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.680  -0.501  -0.419  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.639   0.089   0.188  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.906  -2.504  -2.938  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.353  -0.087  -0.165  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.931   0.989   1.318  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.193   1.008   1.932  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        3.423   1.866   2.996  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        2.496   2.709   3.492  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        1.288   2.693   2.896  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        0.966   1.868   1.830  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.248  -1.119  -1.563  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -1.347  -0.895  -2.553  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.330  -0.441  -0.748  0.00  0.00    +0.223 C 
ATOM     20  C   LIG    1       -3.647  -1.110  -1.206  0.00  0.00    +0.053 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -2.456   1.070  -1.022  0.00  0.00    +0.421 C 
ATOM     22  F   LIG    1       -1.444   1.827  -0.558  0.00  0.00    -0.168 F 
ATOM     23  F   LIG    1       -2.500   1.277  -2.372  0.00  0.00    -0.168 F 
ATOM     24  F   LIG    1       -3.609   1.587  -0.531  0.00  0.00    -0.168 F 
ENDBRANCH  19  21
BRANCH  19  25
ATOM     25  C   LIG    1       -2.215  -0.745   0.752  0.00  0.00    +0.339 C 
ATOM     26  O   LIG    1       -2.024  -1.872   1.205  0.00  0.00    -0.248 OA
BRANCH  25  28
ATOM     27  C   LIG    1       -2.308   0.096   2.940  0.00  0.00    +0.280 C 
ATOM     28  O   LIG    1       -2.419   0.349   1.537  0.00  0.00    -0.466 OA
ENDBRANCH  25  28
ENDBRANCH  19  25
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6