REMARK  Name = BDB052574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.963   1.872  -0.786  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -0.222   1.739  -0.186  0.00  0.00    -0.215 NA
ATOM      3  C   LIG    1       -0.615   0.482   0.107  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1        0.152  -0.630  -0.189  0.00  0.00    +0.130 A 
ATOM      5  C   LIG    1        1.380  -0.399  -0.798  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1        1.768   0.852  -1.111  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        0.320   4.513  -0.348  0.00  0.00    +0.093 C 
ATOM      8  S   LIG    1        1.545   3.495  -1.208  0.00  0.00    -0.089 S 
ENDBRANCH   1   8
BRANCH   4   9
ATOM      9  C   LIG    1       -0.333  -1.988   0.077  0.00  0.00    +0.343 C 
ATOM     10  O   LIG    1       -1.421  -2.441  -0.224  0.00  0.00    -0.245 OA
BRANCH   9  11
ATOM     11  O   LIG    1        0.580  -2.724   0.743  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1        0.123  -3.579   0.902  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   4   9
BRANCH   5  13
ATOM     13  N   LIG    1        2.196  -1.476  -1.195  0.00  0.00    -0.324 N 
ATOM     14  H   LIG    1        2.214  -2.167  -0.441  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.551  -1.160  -1.641  0.00  0.00    +0.138 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.502  -1.081  -0.468  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1        4.850   0.159   0.086  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        5.711   0.229   1.182  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.229  -0.938   1.738  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.887  -2.178   1.201  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.025  -2.251   0.105  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   5  13
BRANCH   3  22
ATOM     22  S   LIG    1       -2.169   0.414   0.980  0.00  0.00    -0.100 S 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.271   0.527  -0.462  0.00  0.00    +0.111 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.709   0.294  -0.077  0.00  0.00    -0.037 A 
ATOM     25  C   LIG    1       -5.546   1.370   0.252  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.875   1.147   0.617  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.378  -0.152   0.661  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.553  -1.230   0.346  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.224  -1.010  -0.019  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 9