REMARK  Name = BDB055069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.822   0.689  -1.480  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1        3.752   0.498  -0.498  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1        4.031   0.605   0.858  0.00  0.00    +0.146 C 
ATOM      4  S   LIG    1        5.523   0.927   1.555  0.00  0.00    -0.018 S 
ATOM      5  N   LIG    1        2.982   0.436   1.717  0.00  0.00    -0.263 N 
ATOM      6  H   LIG    1        3.171   0.570   2.702  0.00  0.00    +0.157 HD
ATOM      7  C   LIG    1        1.668   0.211   1.416  0.00  0.00    +0.255 C 
ATOM      8  O   LIG    1        0.837   0.226   2.315  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.392   0.001  -0.019  0.00  0.00    +0.100 C 
ATOM     10  C   LIG    1        0.195  -0.363  -0.526  0.00  0.00    +0.028 C 
ATOM     11  C   LIG    1        2.485   0.218  -1.013  0.00  0.00    +0.257 C 
ATOM     12  O   LIG    1        2.260   0.145  -2.222  0.00  0.00    -0.269 OA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1       -1.025  -0.684   0.141  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.331  -0.229  -0.220  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -3.231  -0.822   0.668  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -4.611  -0.592   0.615  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -5.087   0.268  -0.379  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.216   0.874  -1.282  0.00  0.00    +0.001 A 
ATOM     19  N   LIG    1       -2.495  -1.609   1.524  0.00  0.00    -0.360 N 
ATOM     20  H   LIG    1       -2.886  -2.153   2.280  0.00  0.00    +0.165 HD
ATOM     21  C   LIG    1       -2.839   0.635  -1.213  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -1.167  -1.563   1.192  0.00  0.00    +0.091 A 
ENDBRANCH  10  13
TORSDOF 1