REMARK  Name = BDB028217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.937   0.635  -1.164  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -0.797  -0.204  -0.715  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.953  -1.584  -0.800  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.080  -2.442  -0.406  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        1.275  -1.911   0.086  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        1.441  -0.524   0.194  0.00  0.00    -0.015 A 
ATOM      7  C   LIG    1       -2.223  -2.135  -1.298  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -2.400  -3.345  -1.395  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -3.187  -1.219  -1.640  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -4.071  -1.581  -1.984  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1        0.400   0.327  -0.212  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -3.061   0.135  -1.587  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.687   0.021   0.719  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        2.726   1.074   1.615  0.00  0.00    +0.075 A 
ATOM     15  S   LIG    1        4.357   1.415   2.011  0.00  0.00    +0.004 S 
ATOM     16  N   LIG    1        5.016   0.231   1.056  0.00  0.00    -0.218 NA
ATOM     17  C   LIG    1        4.024  -0.415   0.448  0.00  0.00    +0.129 A 
ENDBRANCH   6  13
BRANCH   1  18
ATOM     18  C   LIG    1       -1.820   2.157  -1.135  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.965   2.626   0.246  0.00  0.00    -0.325 NA
ATOM     20  H   LIG    1       -2.881   2.325   0.588  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1       -2.005   3.645   0.241  0.00  0.00    +0.119 HD
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 3