REMARK  Name = BDB034985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.032   2.308   1.392  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -1.550   1.136   0.607  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -0.662   0.210   0.060  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1       -1.237  -0.848  -0.673  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -0.362  -1.768  -1.224  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        1.017  -1.644  -1.054  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1        1.502  -0.575  -0.318  0.00  0.00    +0.080 A 
ATOM      8  N   LIG    1       -2.562  -1.009  -0.862  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.386  -0.104  -0.317  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1        0.673   0.341   0.234  0.00  0.00    -0.244 NA
ATOM     11  C   LIG    1       -2.928   0.979   0.411  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.937  -0.371  -0.084  0.00  0.00    +0.057 A 
ATOM     13  S   LIG    1        3.546   1.099   0.587  0.00  0.00    -0.074 S 
ATOM     14  C   LIG    1        5.138   0.484   0.491  0.00  0.00    +0.156 A 
ATOM     15  N   LIG    1        5.265  -0.728   0.001  0.00  0.00    -0.255 NA
ATOM     16  C   LIG    1        4.012  -1.214  -0.323  0.00  0.00    +0.128 A 
ENDBRANCH   7  12
BRANCH   9  17
ATOM     17  N   LIG    1       -4.745  -0.279  -0.550  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -5.280  -0.276   0.310  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -4.856  -1.150  -1.063  0.00  0.00    +0.144 HD
ENDBRANCH   9  17
TORSDOF 2