REMARK  Name = BDB057365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.728  -0.526   0.138  0.00  0.00    +0.084 A 
ATOM      2  C   LIG    1       -0.258  -0.638  -0.100  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        0.525  -1.745   0.153  0.00  0.00    +0.147 A 
ATOM      4  N   LIG    1        1.875  -1.720   0.022  0.00  0.00    -0.197 NA
ATOM      5  C   LIG    1        2.460  -0.607  -0.431  0.00  0.00    +0.217 A 
ATOM      6  N   LIG    1        1.781   0.489  -0.755  0.00  0.00    -0.222 NA
ATOM      7  N   LIG    1        0.031  -2.988   0.537  0.00  0.00    -0.321 N 
ATOM      8  H   LIG    1        0.800  -3.646   0.594  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -1.150  -3.512   0.173  0.00  0.00    +0.180 A 
ATOM     10  N   LIG    1       -1.337  -4.822  -0.017  0.00  0.00    -0.154 NA
ATOM     11  N   LIG    1       -2.624  -4.913  -0.393  0.00  0.00    -0.278 N 
ATOM     12  H   LIG    1       -2.999  -5.835  -0.592  0.00  0.00    +0.189 HD
ATOM     13  C   LIG    1       -3.276  -3.714  -0.438  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1       -4.707  -3.590  -0.783  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1       -2.332  -2.784  -0.073  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1        0.444   0.449  -0.589  0.00  0.00    +0.128 A 
ATOM     17  N   LIG    1       -2.646  -1.445   0.116  0.00  0.00    -0.241 NA
ENDROOT
BRANCH   1  22
ATOM     18  C   LIG    1       -3.840   4.741   1.339  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -3.272   3.390   1.015  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1       -2.238   2.852   1.793  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -1.732   1.580   1.517  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.260   0.841   0.454  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.316   1.353  -0.305  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -3.818   2.624  -0.024  0.00  0.00    +0.004 A 
ENDBRANCH   1  22
BRANCH   5  25
ATOM     25  N   LIG    1        3.831  -0.674  -0.552  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1        4.115  -1.500  -0.035  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.695   0.497  -0.385  0.00  0.00    +0.026 C 
ATOM     28  C   LIG    1        4.444   1.198   0.958  0.00  0.00    +0.031 C 
ATOM     29  C   LIG    1        6.147  -0.028  -0.391  0.00  0.00    +0.031 C 
ATOM     30  C   LIG    1        4.549   1.477  -1.558  0.00  0.00    +0.031 C 
ENDBRANCH  25  27
ENDBRANCH   5  25
TORSDOF 3