REMARK  Name = BDB060976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.925   2.222   0.570  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.684   1.088   0.175  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1        0.590   0.561   0.134  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1        0.702  -0.440   0.041  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.769   0.175  -0.270  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.041   0.229   0.348  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -4.034  -0.652  -0.095  0.00  0.00    +0.047 A 
ATOM      8  N   LIG    1       -5.162  -0.412   0.659  0.00  0.00    -0.361 N 
ATOM      9  H   LIG    1       -6.039  -0.902   0.550  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1       -4.923   0.583   1.567  0.00  0.00    +0.083 A 
ATOM     11  C   LIG    1       -3.825  -1.574  -1.128  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -2.568  -1.599  -1.736  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -3.622   0.999   1.399  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -1.554  -0.739  -1.319  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  15
ATOM     15  C   LIG    1        1.706   1.309   0.662  0.00  0.00    +0.139 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.003   0.611   0.357  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1        3.599  -0.236   1.302  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        4.788  -0.903   1.003  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        5.387  -0.738  -0.244  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.798   0.093  -1.196  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.609   0.762  -0.898  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 3