REMARK  Name = BDB033402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.427  -2.375  -0.716  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -0.678  -3.283  -1.110  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -5.034   0.899   0.499  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.805   0.095   0.163  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.585   0.681  -0.272  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.496  -0.152  -0.553  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -0.452   0.655  -0.948  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        0.477   0.308  -1.168  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -0.827   1.969  -0.923  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.558  -1.545  -0.444  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -2.753  -2.110   0.001  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.142   2.021  -0.513  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -3.854  -1.308   0.295  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -2.889   3.231  -0.363  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.493   4.215  -0.244  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.610  -2.689   0.609  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1       -0.191  -2.811   1.809  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        1.467  -3.776   0.175  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.704  -1.300   0.837  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        2.474  -1.143   2.353  0.00  0.00    -0.055 S 
ATOM     21  C   LIG    1        3.283   0.251   1.775  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1        2.930   0.502   0.460  0.00  0.00    +0.053 A 
ATOM     23  N   LIG    1        2.012  -0.392  -0.078  0.00  0.00    -0.225 NA
BRANCH  22  24
ATOM     24  C   LIG    1        3.440   1.621  -0.396  0.00  0.00    +0.084 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.861   1.375  -0.893  0.00  0.00    +0.162 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.796   1.593   0.161  0.00  0.00    -0.395 OA
ATOM     27  H   LIG    1        6.679   1.396  -0.197  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7