REMARK  Name = BDB014830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.177  -0.155   0.583  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -1.306   0.327   1.463  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -7.428   2.057   2.510  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.947   1.782   2.472  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -5.482   0.912   1.494  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -4.041   0.597   1.552  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -3.584  -0.035   0.287  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -2.284  -0.391  -0.165  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -2.353  -0.962  -1.373  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -3.656  -0.954  -1.699  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -4.061  -1.487  -2.977  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -4.437  -0.427  -0.722  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.907  -0.259  -0.701  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -6.356  -0.030   0.759  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -5.196   2.329   3.281  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        0.190  -0.437   0.355  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.129  -0.031   1.319  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.497  -0.280   1.155  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        2.960  -0.941   0.017  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        2.039  -1.358  -0.945  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        0.671  -1.105  -0.775  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.369  -1.217  -0.160  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        5.378  -0.272  -0.210  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        5.391   1.218  -0.133  0.00  0.00    +0.056 C 
ATOM     25  C   LIG    1        6.797   1.764   0.137  0.00  0.00    +0.008 C 
ATOM     26  C   LIG    1        7.832   1.090  -0.765  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1        7.863  -0.418  -0.521  0.00  0.00    +0.144 C 
ATOM     28  N   LIG    1        6.529  -0.982  -0.435  0.00  0.00    -0.268 N 
ATOM     29  N   LIG    1        6.347  -2.309  -0.530  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        5.028  -2.450  -0.377  0.00  0.00    +0.143 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3