REMARK  Name = BDB039279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.244  -0.200   0.794  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -4.071  -0.469   0.333  0.00  0.00    +0.132 A 
ATOM      3  S   LIG    1       -2.716   0.266  -0.441  0.00  0.00    -0.050 S 
ATOM      4  C   LIG    1       -1.718  -0.425   0.775  0.00  0.00    +0.113 A 
ATOM      5  N   LIG    1       -2.381  -1.115   1.678  0.00  0.00    -0.145 NA
ATOM      6  N   LIG    1       -3.736  -1.140   1.421  0.00  0.00    -0.141 NA
BRANCH   2  11
ATOM      7  C   LIG    1       -9.570  -0.026  -1.496  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -8.144  -0.155  -1.051  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1       -7.112   0.424  -1.793  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -5.782   0.330  -1.362  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -5.451  -0.336  -0.172  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -6.502  -0.903   0.571  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -7.830  -0.810   0.142  0.00  0.00    +0.004 A 
ENDBRANCH   2  11
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  S   LIG    1        0.616  -1.301  -0.382  0.00  0.00    -0.118 S 
BRANCH  14  15
ATOM     15  C   LIG    1        2.289  -0.767  -0.089  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        2.957  -0.013  -1.056  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        4.276   0.419  -0.844  0.00  0.00    -0.008 A 
ATOM     18  C   LIG    1        4.972   1.231  -1.903  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        4.935   0.080   0.351  0.00  0.00    +0.124 A 
ATOM     20  C   LIG    1        4.267  -0.686   1.310  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        2.953  -1.109   1.090  0.00  0.00    +0.018 A 
BRANCH  19  22
ATOM     22  O   LIG    1        6.218   0.544   0.472  0.00  0.00    -0.489 OA
BRANCH  22  23
ATOM     23  C   LIG    1        6.931   0.215   1.661  0.00  0.00    +0.256 C 
BRANCH  23  24
ATOM     24  C   LIG    1        8.331   0.817   1.570  0.00  0.00    +0.196 C 
BRANCH  24  25
ATOM     25  O   LIG    1        9.069   0.576   2.762  0.00  0.00    -0.392 OA
ATOM     26  H   LIG    1        8.689   1.137   3.460  0.00  0.00    +0.210 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 8