REMARK  Name = BDB035035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.466   2.228  -0.090  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -4.267   1.380   0.227  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -4.163   0.052  -0.203  0.00  0.00    +0.120 A 
ATOM      4  N   LIG    1       -3.114  -0.737   0.059  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -2.101  -0.201   0.785  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1       -2.119   1.110   1.252  0.00  0.00    +0.038 A 
ATOM      7  S   LIG    1       -0.692   1.479   2.131  0.00  0.00    -0.090 S 
ATOM      8  C   LIG    1       -0.050  -0.091   1.901  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -0.909  -0.882   1.163  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -3.218   1.930   0.976  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   3  11
ATOM     11  N   LIG    1       -5.193  -0.533  -0.954  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -5.333  -0.009  -1.811  0.00  0.00    +0.144 HD
ATOM     13  H   LIG    1       -6.056  -0.519  -0.420  0.00  0.00    +0.144 HD
ENDBRANCH   3  11
BRANCH   8  14
ATOM     14  C   LIG    1        1.286  -0.458   2.463  0.00  0.00    +0.147 C 
BRANCH  14  15
ATOM     15  N   LIG    1        2.273  -0.312   1.417  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        2.399   0.615   1.036  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        2.697  -1.397   0.679  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1        2.358  -2.551   0.914  0.00  0.00    -0.270 OA
BRANCH  17  19
ATOM     19  C   LIG    1        3.587  -1.099  -0.477  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        3.567  -1.970  -1.573  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        4.383  -1.726  -2.679  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.229  -0.618  -2.689  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.266   0.244  -1.593  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.450   0.005  -0.485  0.00  0.00    +0.013 A 
ENDBRANCH  17  19
ENDBRANCH  14  15
ENDBRANCH   8  14
TORSDOF 4