REMARK  Name = BDB033388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.095   1.394  -2.398  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -0.163   1.766  -3.313  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.975   0.682  -1.771  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.210   0.789  -0.396  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -2.228   0.085   0.258  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -2.153   0.458   1.639  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1       -1.120   1.359   1.784  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -3.058  -0.785  -0.500  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -4.177  -1.591   0.104  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -2.808  -0.897  -1.884  0.00  0.00    +0.006 A 
ATOM     11  N   LIG    1       -0.569   1.561   0.549  0.00  0.00    -0.358 N 
ATOM     12  H   LIG    1        0.231   2.149   0.346  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -1.788  -0.180  -2.505  0.00  0.00    +0.027 A 
BRANCH   6  14
ATOM     14  C   LIG    1       -2.976  -0.001   2.714  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.645  -0.379   3.584  0.00  0.00    -0.191 NA
ENDBRANCH   6  14
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1        1.546   0.512  -2.621  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        1.210  -0.810  -3.108  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        2.421   1.382  -3.381  0.00  0.00    -0.148 OA
BRANCH  16  23
ATOM     19  C   LIG    1        4.743  -1.266   1.579  0.00  0.00    +0.054 C 
ATOM     20  C   LIG    1        3.781  -0.511   0.729  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        3.014   0.598   1.034  0.00  0.00    +0.152 A 
ATOM     22  N   LIG    1        2.204   1.076   0.015  0.00  0.00    -0.210 NA
ATOM     23  C   LIG    1        2.356   0.303  -1.047  0.00  0.00    +0.237 A 
ATOM     24  S   LIG    1        3.479  -0.978  -0.897  0.00  0.00    -0.051 S 
BRANCH  21  25
ATOM     25  C   LIG    1        2.996   1.265   2.304  0.00  0.00    +0.120 C 
ATOM     26  N   LIG    1        2.979   1.797   3.336  0.00  0.00    -0.189 NA
ENDBRANCH  21  25
ENDBRANCH  16  23
ENDBRANCH   1  16
TORSDOF 5