REMARK  Name = BDB017127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.482   0.048   1.015  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -3.949   0.833  -0.078  0.00  0.00    -0.013 A 
ATOM      3  C   LIG    1       -3.003   1.554  -0.850  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.430   2.346  -1.929  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -4.779   2.435  -2.264  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -5.719   1.732  -1.524  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.638   1.477  -0.540  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -1.179   0.685   0.515  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -5.310   0.943  -0.447  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -2.101  -0.018   1.292  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        0.291   0.647   0.782  0.00  0.00    +0.167 C 
ATOM     12  O   LIG    1        0.945   1.641   0.472  0.00  0.00    -0.292 OA
BRANCH  11  13
ATOM     13  C   LIG    1        0.911  -0.583   1.456  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1        2.417  -0.414   1.755  0.00  0.00    +0.095 C 
ATOM     15  N   LIG    1        3.372  -0.739   0.680  0.00  0.00    -0.301 NA
ATOM     16  C   LIG    1        3.057  -2.018   0.042  0.00  0.00    +0.084 C 
ATOM     17  C   LIG    1        1.613  -2.118  -0.442  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1        0.638  -1.894   0.707  0.00  0.00    +0.014 C 
BRANCH  15  19
ATOM     19  C   LIG    1        3.549   0.371  -0.265  0.00  0.00    +0.088 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.838   0.211  -1.026  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1        5.718   1.408  -1.296  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        6.168   0.351  -0.327  0.00  0.00    +0.005 C 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  23
ATOM     23  C   LIG    1       -4.412  -0.763   1.891  0.00  0.00    +0.113 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.697  -2.067   1.304  0.00  0.00    -0.326 NA
ATOM     25  H   LIG    1       -3.821  -2.562   1.148  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -5.101  -1.931   0.378  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 6