REMARK  Name = BDB002506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.193   1.146   0.151  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.072  -0.021   0.866  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -1.394  -0.456   1.028  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -2.472   0.270   0.501  0.00  0.00    +0.036 A 
ATOM      5  C   LIG    1       -2.181   1.460  -0.189  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -0.862   1.901  -0.358  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.819   2.780   0.378  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.576   1.640  -0.015  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        2.537   0.808  -0.596  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        2.224  -0.373  -1.403  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        2.717  -1.683  -0.779  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1        3.809  -1.548   0.282  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1        5.114  -0.911  -0.196  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1        4.982   0.331  -1.075  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1        3.907   1.324  -0.633  0.00  0.00    +0.108 C 
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  N   LIG    1       -3.818  -0.165   0.657  0.00  0.00    -0.271 N 
ATOM     17  C   LIG    1       -4.264  -1.237   1.450  0.00  0.00    +0.220 C 
ATOM     18  O   LIG    1       -3.619  -2.036   2.111  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.774  -1.235   1.419  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -6.094  -0.420   0.183  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1       -4.940   0.557   0.101  0.00  0.00    +0.114 C 
ENDBRANCH   4  16
TORSDOF 2