REMARK  Name = BDB034961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.992   2.212   0.600  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.401   0.890   0.196  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.019   0.700   0.221  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -0.553  -0.567  -0.187  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        0.819  -0.772  -0.174  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        1.711   0.230   0.225  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        1.144   1.437   0.612  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1       -1.356  -1.575  -0.584  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -2.678  -1.360  -0.591  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -0.186   1.688   0.618  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -3.239  -0.151  -0.221  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        3.156  -0.013   0.241  0.00  0.00    +0.040 A 
ATOM     13  S   LIG    1        4.289   1.226  -0.144  0.00  0.00    -0.075 S 
ATOM     14  C   LIG    1        5.574   0.119   0.091  0.00  0.00    +0.156 A 
ATOM     15  N   LIG    1        5.232  -1.102   0.432  0.00  0.00    -0.255 NA
ATOM     16  C   LIG    1        3.855  -1.178   0.513  0.00  0.00    +0.127 A 
ENDBRANCH   6  12
BRANCH   9  17
ATOM     17  N   LIG    1       -3.478  -2.408  -1.032  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -2.868  -3.202  -1.209  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -4.208  -2.633  -0.366  0.00  0.00    +0.144 HD
ENDBRANCH   9  17
TORSDOF 2