REMARK  Name = BDB036914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.199  -1.303   0.852  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -0.388  -0.197  -0.120  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.816   0.107  -0.456  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1       -2.752  -1.082  -0.652  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1       -2.383  -2.240  -0.826  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -4.098  -0.794  -0.612  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.708  -1.594  -0.724  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -4.682   0.298  -0.022  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.878   0.307   0.252  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.782   1.480   0.241  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.383   1.027   0.630  0.00  0.00    +0.039 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  S   LIG    1        0.624  -0.265  -1.499  0.00  0.00    +0.061 S 
ATOM     13  O   LIG    1        0.439   0.965  -2.240  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1        0.455  -1.552  -2.131  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  C   LIG    1        2.251  -0.196  -0.788  0.00  0.00    +0.107 A 
ATOM     16  C   LIG    1        2.687   1.004  -0.215  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        3.968   1.074   0.339  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        4.801  -0.052   0.309  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1        4.360  -1.243  -0.274  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        3.082  -1.318  -0.828  0.00  0.00    +0.028 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.428   2.292   0.938  0.00  0.00    +0.099 C 
ATOM     22  N   LIG    1        4.796   3.276   1.432  0.00  0.00    -0.191 NA
ENDBRANCH  17  21
ENDBRANCH  12  15
ENDBRANCH   2  12
TORSDOF 4