REMARK  Name = BDB049190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.168   0.291  -0.168  0.00  0.00    -0.337 N 
ATOM      2  H   LIG    1        0.415   0.988  -0.873  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.199   0.025  -0.141  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -2.106   0.432  -1.042  0.00  0.00    +0.129 A 
ATOM      5 CL   LIG    1       -1.628   1.400  -2.401  0.00  0.00    -0.076 Cl
ATOM      6  C   LIG    1       -3.556   0.099  -0.929  0.00  0.00    +0.287 A 
ATOM      7  O   LIG    1       -4.361   0.459  -1.787  0.00  0.00    -0.265 OA
ATOM      8  N   LIG    1       -3.917  -0.628   0.201  0.00  0.00    -0.231 N 
ATOM      9  C   LIG    1       -5.298  -1.030   0.395  0.00  0.00    +0.176 C 
ATOM     10  N   LIG    1       -3.019  -1.112   1.118  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1       -1.776  -0.806   0.946  0.00  0.00    +0.157 A 
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  C   LIG    1        1.069   0.299   0.976  0.00  0.00    +0.144 C 
BRANCH  12  15
ATOM     13  C   LIG    1        3.200  -1.166  -0.875  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        3.399   0.142  -0.180  0.00  0.00    -0.039 A 
ATOM     15  C   LIG    1        2.456   0.767   0.625  0.00  0.00    +0.010 A 
ATOM     16  S   LIG    1        3.025   2.262   1.241  0.00  0.00    -0.100 S 
ATOM     17  C   LIG    1        4.528   2.090   0.455  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        4.598   0.922  -0.269  0.00  0.00    +0.011 A 
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 3