REMARK  Name = BDB033415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.122  -1.764  -2.350  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -0.239  -2.596  -2.930  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -5.145   0.279  -0.343  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.813  -0.244  -0.812  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.626  -0.160  -0.034  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.433  -0.670  -0.562  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -0.449  -0.469   0.382  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        0.526  -0.709   0.238  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -0.960   0.160   1.482  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.359  -1.275  -1.821  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -2.524  -1.336  -2.584  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.305   0.360   1.261  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -3.726  -0.834  -2.090  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.187   0.990   2.194  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.905   1.497   2.953  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.785  -0.647  -3.279  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        1.858  -1.421  -3.873  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1       -0.127   0.115  -4.106  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.596   0.492  -2.174  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        1.971   2.049  -2.761  0.00  0.00    -0.055 S 
ATOM     21  C   LIG    1        2.652   2.437  -1.237  0.00  0.00    +0.081 A 
ATOM     22  C   LIG    1        2.595   1.348  -0.381  0.00  0.00    +0.135 A 
ATOM     23  N   LIG    1        1.966   0.225  -0.932  0.00  0.00    -0.216 NA
BRANCH  22  24
ATOM     24  C   LIG    1        3.082   1.404   1.011  0.00  0.00    +0.265 C 
ATOM     25  N   LIG    1        3.350   0.201   1.671  0.00  0.00    -0.302 N 
ATOM     26  C   LIG    1        3.592   0.231   3.102  0.00  0.00    +0.132 C 
ATOM     27  C   LIG    1        3.600  -1.066   1.000  0.00  0.00    +0.132 C 
ATOM     28  O   LIG    1        3.212   2.492   1.573  0.00  0.00    -0.268 OA
ENDBRANCH  22  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5