REMARK  Name = BDB034854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.210  -1.477  -0.398  0.00  0.00    +0.176 C 
ATOM      2  N   LIG    1       -1.431  -0.233  -0.612  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.096  -0.452  -0.941  0.00  0.00    +0.154 C 
ATOM      4  N   LIG    1        0.820   0.461  -0.974  0.00  0.00    -0.155 NA
ATOM      5  S   LIG    1        0.181  -2.174  -1.262  0.00  0.00    -0.090 S 
ATOM      6  C   LIG    1       -1.596  -2.515  -1.337  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.752   0.834   0.252  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -2.447   1.940  -0.254  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -2.813   2.994   0.585  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.482   2.955   1.938  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -1.780   1.866   2.452  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.414   0.812   1.613  0.00  0.00    +0.023 A 
ENDBRANCH   2   7
BRANCH   1  16
ATOM     13  C   LIG    1       -5.850  -0.425   0.066  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1       -4.463  -0.750   0.289  0.00  0.00    -0.317 N 
ATOM     15  H   LIG    1       -3.980  -0.219   1.006  0.00  0.00    +0.148 HD
ATOM     16  C   LIG    1       -3.702  -1.302  -0.729  0.00  0.00    +0.234 C 
ATOM     17  O   LIG    1       -4.199  -1.652  -1.797  0.00  0.00    -0.274 OA
ENDBRANCH   1  16
BRANCH   4  18
ATOM     18  C   LIG    1        2.090   0.110  -1.342  0.00  0.00    +0.271 C 
ATOM     19  O   LIG    1        2.425  -0.184  -2.483  0.00  0.00    -0.268 OA
BRANCH  18  20
ATOM     20  C   LIG    1        3.034   0.172  -0.226  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        4.409  -0.234  -0.237  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        4.921   0.004   1.034  0.00  0.00    +0.139 A 
ATOM     23  N   LIG    1        6.170  -0.230   1.477  0.00  0.00    -0.237 NA
ATOM     24  C   LIG    1        6.973  -0.758   0.525  0.00  0.00    +0.113 A 
ATOM     25  C   LIG    1        6.601  -1.047  -0.781  0.00  0.00    +0.020 A 
ATOM     26  N   LIG    1        3.924   0.538   1.798  0.00  0.00    -0.345 N 
ATOM     27  H   LIG    1        4.048   0.811   2.762  0.00  0.00    +0.167 HD
ATOM     28  C   LIG    1        5.292  -0.785  -1.184  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        2.777   0.644   1.057  0.00  0.00    +0.098 A 
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 4