REMARK  Name = BDB039281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.128  -3.336  -1.031  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -1.562  -2.852   0.208  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.384  -1.718   0.291  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -2.814  -1.209   1.637  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1       -2.728  -1.050  -0.892  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1       -2.372  -1.578  -2.132  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -1.569  -2.717  -2.203  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   8
ATOM      8  S   LIG    1        0.002  -4.716  -1.070  0.00  0.00    -0.118 S 
BRANCH   8   9
ATOM      9  C   LIG    1        1.420  -3.965  -1.955  0.00  0.00    +0.139 C 
BRANCH   9  12
ATOM     10  C   LIG    1        2.578  -0.762  -0.126  0.00  0.00    +0.132 A 
ATOM     11  S   LIG    1        2.561  -2.467   0.133  0.00  0.00    -0.050 S 
ATOM     12  C   LIG    1        1.838  -2.635  -1.416  0.00  0.00    +0.113 A 
ATOM     13  N   LIG    1        1.702  -1.498  -2.065  0.00  0.00    -0.145 NA
ATOM     14  N   LIG    1        2.118  -0.419  -1.316  0.00  0.00    -0.141 NA
BRANCH  10  19
ATOM     15  C   LIG    1        4.329   3.148   3.796  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        3.861   2.126   2.804  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1        3.173   2.516   1.653  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        2.765   1.562   0.715  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        3.039   0.196   0.895  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        3.748  -0.181   2.046  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        4.157   0.772   2.987  0.00  0.00    +0.004 A 
ENDBRANCH  10  19
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   5  22
ATOM     22  O   LIG    1       -3.483   0.085  -0.816  0.00  0.00    -0.475 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.811   1.335  -1.102  0.00  0.00    +0.200 C 
ATOM     24  C   LIG    1       -1.351   1.423  -0.623  0.00  0.00    +0.067 C 
ATOM     25  C   LIG    1       -2.903   1.683  -2.592  0.00  0.00    +0.067 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -3.633   2.373  -0.321  0.00  0.00    +0.348 C 
ATOM     27  O   LIG    1       -3.239   3.097   0.581  0.00  0.00    -0.247 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -4.926   2.450  -0.709  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1       -5.317   3.106  -0.095  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 8