REMARK  Name = BDB037925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.974  -0.197  -0.033  0.00  0.00    +0.080 A 
ATOM      2  C   LIG    1       -0.873   0.472  -0.547  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1       -1.158   1.885  -0.737  0.00  0.00    -0.006 A 
ATOM      4  C   LIG    1       -2.441   2.221  -0.297  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -2.934   3.539  -0.380  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.119   4.537  -0.914  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.838   4.237  -1.352  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.354   2.929  -1.267  0.00  0.00    +0.009 A 
ATOM      9  S   LIG    1       -3.265   0.855   0.335  0.00  0.00    -0.083 S 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.321  -3.725   0.098  0.00  0.00    +0.132 C 
ATOM     11  N   LIG    1       -3.071  -2.366  -0.349  0.00  0.00    -0.303 N 
ATOM     12  C   LIG    1       -2.088  -1.609   0.300  0.00  0.00    +0.253 C 
ATOM     13  O   LIG    1       -1.318  -2.133   1.106  0.00  0.00    -0.269 OA
ATOM     14  C   LIG    1       -3.823  -1.926  -1.516  0.00  0.00    +0.132 C 
ENDBRANCH   1  12
BRANCH   2  15
ATOM     15  C   LIG    1        0.433  -0.194  -0.907  0.00  0.00    +0.121 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.531   0.403  -0.140  0.00  0.00    -0.296 NA
ATOM     17  C   LIG    1        2.793  -0.329  -0.368  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1        3.050  -0.276   1.157  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1        4.009   0.840   1.702  0.00  0.00    +0.228 C 
ATOM     20  O   LIG    1        4.065   2.037   1.455  0.00  0.00    -0.275 OA
ATOM     21  N   LIG    1        4.877   0.234   2.558  0.00  0.00    -0.256 N 
ATOM     22  H   LIG    1        5.612   0.741   3.028  0.00  0.00    +0.157 HD
ATOM     23  C   LIG    1        4.735  -1.117   2.657  0.00  0.00    +0.220 C 
ATOM     24  O   LIG    1        5.445  -1.853   3.322  0.00  0.00    -0.275 OA
ATOM     25  C   LIG    1        3.573  -1.560   1.800  0.00  0.00    +0.115 C 
ATOM     26  C   LIG    1        1.525  -0.041   1.270  0.00  0.00    +0.102 C 
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 3