REMARK  Name = BDB008980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.314   0.653   1.566  0.00  0.00    +0.070 A 
ATOM      2  C   LIG    1       -2.172   0.377   0.370  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -2.218  -0.990  -0.254  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -2.909  -1.017  -1.621  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -4.173  -0.167  -1.619  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.854   1.284  -1.258  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.903   1.404  -0.099  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -2.812   2.739   0.543  0.00  0.00    +0.268 A 
ATOM      9  O   LIG    1       -3.444   3.703   0.123  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -1.990   2.823   1.633  0.00  0.00    -0.243 N 
ATOM     11  H   LIG    1       -1.905   3.728   2.083  0.00  0.00    +0.192 HD
ATOM     12  N   LIG    1       -1.249   1.811   2.155  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -0.476  -0.469   2.175  0.00  0.00    +0.100 C 
BRANCH  13  16
ATOM     14  C   LIG    1        3.032  -0.416   0.345  0.00  0.00    +0.074 A 
ATOM     15  S   LIG    1        1.920   0.590   1.178  0.00  0.00    -0.088 S 
ATOM     16  C   LIG    1        0.809  -0.689   1.426  0.00  0.00    -0.004 A 
ATOM     17  C   LIG    1        1.290  -1.872   0.902  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        2.558  -1.714   0.269  0.00  0.00    +0.021 A 
BRANCH  14  22
ATOM     19  C   LIG    1        6.562  -0.319  -0.899  0.00  0.00    +0.128 C 
ATOM     20  N   LIG    1        5.249  -0.757  -0.500  0.00  0.00    -0.314 N 
ATOM     21  H   LIG    1        5.147  -1.705  -0.171  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        4.271   0.165  -0.161  0.00  0.00    +0.250 C 
ATOM     23  O   LIG    1        4.473   1.372  -0.278  0.00  0.00    -0.270 OA
ENDBRANCH  14  22
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 3