REMARK  Name = BDB055668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.379  -2.179   3.079  0.00  0.00    +0.085 A 
ATOM      2  N   LIG    1       -2.686  -2.091   2.696  0.00  0.00    -0.346 N 
ATOM      3  H   LIG    1       -3.473  -2.554   3.125  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.808  -1.219   1.650  0.00  0.00    +0.140 A 
ATOM      5  C   LIG    1       -1.541  -0.759   1.288  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.434   0.150   0.189  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -0.241   0.667  -0.358  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -0.330   1.651  -1.448  0.00  0.00    +0.106 C 
ATOM      9  C   LIG    1       -1.550   2.541  -1.317  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1       -2.782   1.660  -1.366  0.00  0.00    +0.040 C 
ATOM     11  C   LIG    1       -2.691   0.590  -0.313  0.00  0.00    -0.007 A 
ATOM     12  C   LIG    1       -3.884   0.029   0.151  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -3.995  -0.899   1.115  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1       -0.652  -1.361   2.240  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   7  15
ATOM     15  C   LIG    1        1.031  -0.076  -0.229  0.00  0.00    +0.073 C 
ATOM     16  C   LIG    1        2.025   0.739   0.622  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1        3.492   0.403   0.337  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        3.671  -1.039  -0.118  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1        2.895  -1.334  -1.403  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1        1.655  -0.452  -1.584  0.00  0.00    +0.022 C 
ENDBRANCH   7  15
TORSDOF 1