REMARK  Name = BDB056500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.410   0.176  -0.636  0.00  0.00    +0.118 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1        1.759  -0.448   0.165  0.00  0.00    -0.283 N 
ATOM      3  H   LIG    1        1.506  -1.347  -0.237  0.00  0.00    +0.155 HD
ATOM      4  C   LIG    1        0.866   0.599   0.062  0.00  0.00    +0.219 C 
ATOM      5  O   LIG    1        1.022   1.735   0.496  0.00  0.00    -0.275 OA
BRANCH   2  10
ATOM      6  C   LIG    1        6.988  -0.752   2.477  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        5.605  -0.663   1.901  0.00  0.00    -0.047 A 
ATOM      8  C   LIG    1        5.021  -1.772   1.279  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        3.748  -1.659   0.722  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        3.037  -0.450   0.760  0.00  0.00    +0.075 A 
ATOM     11  C   LIG    1        3.627   0.656   1.366  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        4.905   0.551   1.928  0.00  0.00    +0.005 A 
BRANCH   9  13
ATOM     13  O   LIG    1        3.155  -2.739   0.114  0.00  0.00    -0.505 OA
ATOM     14  H   LIG    1        3.778  -3.485   0.153  0.00  0.00    +0.292 HD
ENDBRANCH   9  13
ENDBRANCH   2  10
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -1.296   1.379  -0.948  0.00  0.00    +0.136 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.583   0.974  -1.523  0.00  0.00    -0.293 N 
ATOM     17  C   LIG    1       -3.705   0.682  -0.690  0.00  0.00    +0.059 A 
ATOM     18  C   LIG    1       -4.915   0.292  -1.276  0.00  0.00    +0.063 A 
ATOM     19  C   LIG    1       -6.045  -0.004  -0.500  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -5.974   0.084   0.887  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -4.779   0.464   1.490  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.998   0.181  -2.740  0.00  0.00    +0.262 A 
ATOM     23  O   LIG    1       -6.028  -0.165  -3.308  0.00  0.00    -0.267 OA
ATOM     24  N   LIG    1       -3.855   0.473  -3.429  0.00  0.00    -0.274 N 
ATOM     25  H   LIG    1       -3.890   0.373  -4.432  0.00  0.00    +0.173 HD
ATOM     26  C   LIG    1       -3.653   0.759   0.711  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -2.646   0.826  -2.902  0.00  0.00    +0.330 A 
ATOM     28  O   LIG    1       -1.684   0.982  -3.652  0.00  0.00    -0.246 OA
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5