REMARK  Name = BDB028782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.451  -0.582   0.056  0.00  0.00    +0.138 C 
ATOM      2  C   LIG    1       -2.178  -1.111  -1.172  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1       -1.623  -1.795  -2.032  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -3.505  -0.777  -1.304  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -3.967  -1.135  -2.129  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -4.322  -0.174  -0.383  0.00  0.00    +0.219 C 
ATOM      7  O   LIG    1       -5.525  -0.049  -0.592  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -3.663   0.353   0.868  0.00  0.00    +0.098 C 
ATOM      9  C   LIG    1       -2.425  -0.458   1.227  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  10
ATOM     10  S   LIG    1       -0.687   1.036  -0.358  0.00  0.00    -0.112 S 
BRANCH  10  14
ATOM     11  C   LIG    1        4.318   1.258   1.249  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        3.319   0.721   0.268  0.00  0.00    -0.049 A 
ATOM     13  C   LIG    1        1.965   1.072   0.370  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        1.020   0.549  -0.520  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        1.438  -0.323  -1.528  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        2.780  -0.690  -1.628  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.716  -0.177  -0.729  0.00  0.00    +0.003 A 
ENDBRANCH  10  14
ENDBRANCH   1  10
TORSDOF 2