REMARK  Name = BDB036907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.176  -0.303   1.648  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -0.224  -0.002   0.197  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.578   0.290  -0.364  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1       -2.211   1.525   0.281  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1       -1.566   2.449   0.775  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -3.586   1.590   0.249  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.000   2.416   0.660  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -4.465   0.663  -0.252  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.676   0.858  -0.217  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.859  -0.562  -0.891  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.522  -0.907  -0.255  0.00  0.00    +0.039 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  S   LIG    1        0.777  -0.978  -0.787  0.00  0.00    +0.063 S 
ATOM     13  O   LIG    1        0.506  -0.639  -2.167  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1        0.608  -2.324  -0.282  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  C   LIG    1        2.416  -0.406  -0.436  0.00  0.00    +0.124 A 
ATOM     16  C   LIG    1        3.525  -1.238  -0.600  0.00  0.00    +0.067 A 
ATOM     17 CL   LIG    1        3.449  -2.846  -1.221  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        4.800  -0.748  -0.291  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        4.970   0.562   0.162  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.866   1.398   0.299  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.591   0.920  -0.004  0.00  0.00    +0.030 A 
ENDBRANCH  12  15
ENDBRANCH   2  12
TORSDOF 3