REMARK  Name = BDB027683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.173   1.445   0.057  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.975   2.514  -0.382  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.317   2.206  -0.610  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        3.115   3.250  -1.053  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.712   4.530  -1.273  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        1.419   4.797  -1.026  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.829   0.983  -0.419  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.992   0.032   0.023  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.523   3.840  -0.586  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.688   0.227   0.275  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.542  -1.318   0.238  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        1.717  -2.403   0.570  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        2.277  -3.656   0.759  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        3.595  -3.913   0.648  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.386  -2.869   0.328  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.915  -1.582   0.118  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.194   1.673   0.288  0.00  0.00    -0.319 N 
ATOM     18  H   LIG    1       -1.603   2.094  -0.539  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -3.482   1.262   0.955  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1       -2.071   0.627   0.858  0.00  0.00    +0.053 C 
ATOM     21  C   LIG    1       -1.623   0.338   2.310  0.00  0.00    +0.036 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.205  -0.611  -0.050  0.00  0.00    -0.025 A 
ATOM     23  C   LIG    1       -2.285  -0.478  -1.453  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -2.425  -1.595  -2.281  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -2.500  -2.860  -1.718  0.00  0.00    +0.123 A 
ATOM     26  F   LIG    1       -2.637  -3.931  -2.510  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -2.442  -3.028  -0.343  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1       -2.300  -1.911   0.486  0.00  0.00    +0.008 A 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 4