REMARK  Name = BDB055860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.996   0.305  -0.553  0.00  0.00    +0.113 A 
ATOM      2  N   LIG    1        1.397   1.263  -1.453  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.813   1.692  -2.158  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.722   1.535  -1.232  0.00  0.00    +0.085 A 
ATOM      5  C   LIG    1        3.084   0.706  -0.176  0.00  0.00    +0.104 A 
ATOM      6  C   LIG    1        4.401   0.745   0.298  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1        5.249   1.634  -0.350  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        4.887   2.442  -1.384  0.00  0.00    -0.260 NA
ATOM      9  C   LIG    1        3.614   2.403  -1.839  0.00  0.00    +0.138 A 
ATOM     10  N   LIG    1        1.996  -0.048   0.229  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1       -2.414  -0.557   0.988  0.00  0.00    -0.299 NA
ATOM     12  C   LIG    1       -1.039  -0.022   0.872  0.00  0.00    +0.095 C 
ATOM     13  C   LIG    1       -0.406  -0.229  -0.520  0.00  0.00    +0.069 C 
ATOM     14  C   LIG    1       -0.425  -1.719  -0.893  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -1.817  -2.321  -0.703  0.00  0.00    +0.016 C 
ATOM     16  C   LIG    1       -2.380  -2.000   0.685  0.00  0.00    +0.085 C 
BRANCH  11  18
ATOM     17  C   LIG    1       -4.857  -0.337   0.496  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -3.440   0.201   0.232  0.00  0.00    +0.050 C 
ATOM     19  C   LIG    1       -3.443   1.696   0.595  0.00  0.00    +0.024 C 
ENDBRANCH  11  18
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1        4.894  -0.085   1.407  0.00  0.00    +0.245 C 
ATOM     21  O   LIG    1        6.056  -0.015   1.786  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1        4.005  -0.935   1.998  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        3.037  -0.990   1.687  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        4.312  -1.513   2.767  0.00  0.00    +0.145 HD
ENDBRANCH   6  20
TORSDOF 3