REMARK  Name = BDB061389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.943   3.052   3.147  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1        1.722   2.607   2.401  0.00  0.00    +0.130 A 
ATOM      3  N   LIG    1        0.937   3.572   1.891  0.00  0.00    -0.215 NA
ATOM      4  C   LIG    1       -0.107   3.066   1.222  0.00  0.00    +0.144 A 
ATOM      5  C   LIG    1       -0.410   1.728   1.024  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -1.596   1.700   0.223  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -1.979   3.008  -0.008  0.00  0.00    +0.093 A 
ATOM      8  C   LIG    1        0.467   0.791   1.605  0.00  0.00    +0.132 A 
ATOM      9  N   LIG    1       -1.067   3.824   0.610  0.00  0.00    -0.345 N 
ATOM     10  H   LIG    1       -1.068   4.833   0.612  0.00  0.00    +0.167 HD
ATOM     11  N   LIG    1        1.542   1.273   2.279  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.300   0.576  -0.351  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1       -1.727  -0.136  -1.405  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -2.405  -1.232  -1.913  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1       -3.599  -1.630  -1.446  0.00  0.00    -0.241 NA
ATOM     16  C   LIG    1       -4.140  -0.918  -0.431  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1       -3.536   0.181   0.149  0.00  0.00    +0.028 A 
BRANCH  14  18
ATOM     18  N   LIG    1       -1.874  -1.958  -2.975  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -0.923  -2.252  -2.779  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -2.495  -2.745  -3.139  0.00  0.00    +0.144 HD
ENDBRANCH  14  18
ENDBRANCH   6  12
BRANCH   8  21
ATOM     21  N   LIG    1        0.246  -0.583   1.551  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -0.498  -0.839   0.915  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.417  -1.436   1.448  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.608  -1.873   0.011  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        1.151  -3.127  -0.422  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        1.326  -3.524  -1.749  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        1.942  -2.667  -2.659  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        2.385  -1.413  -2.243  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        2.221  -1.017  -0.915  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 5