REMARK  Name = BDB033813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.234   1.233  -0.757  0.00  0.00    +0.223 A 
ATOM      2  C   LIG    1       -0.592   2.187  -1.531  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        0.687   1.805  -1.878  0.00  0.00    +0.123 A 
ATOM      4  N   LIG    1        1.281   0.654  -1.500  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1        0.571  -0.184  -0.738  0.00  0.00    +0.223 A 
ATOM      6  N   LIG    1       -0.685   0.071  -0.348  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.221   3.481  -1.981  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1       -0.455   4.783  -1.915  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -1.581   4.535  -0.958  0.00  0.00    +0.009 C 
ENDBRANCH   2   7
BRANCH   5  10
ATOM     10  N   LIG    1        1.095  -1.387  -0.274  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        0.397  -1.855   0.284  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1        2.298  -2.068  -0.486  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        2.548  -3.232   0.264  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        3.742  -3.949   0.127  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        4.711  -3.494  -0.764  0.00  0.00    +0.105 A 
ATOM     16  C   LIG    1        4.489  -2.347  -1.525  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        3.291  -1.639  -1.375  0.00  0.00    +0.025 A 
BRANCH  15  18
ATOM     18  S   LIG    1        6.233  -4.380  -0.954  0.00  0.00    +0.056 S 
ATOM     19  O   LIG    1        6.124  -5.640  -0.255  0.00  0.00    -0.153 OA
ATOM     20  O   LIG    1        6.647  -4.287  -2.334  0.00  0.00    -0.153 OA
BRANCH  18  21
ATOM     21  N   LIG    1        7.285  -3.445  -0.028  0.00  0.00    -0.204 NA
ATOM     22  H   LIG    1        7.613  -4.003   0.762  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1        6.878  -2.560   0.274  0.00  0.00    +0.144 HD
ENDBRANCH  18  21
ENDBRANCH  15  18
ENDBRANCH  10  12
ENDBRANCH   5  10
BRANCH   1  24
ATOM     24  O   LIG    1       -2.533   1.528  -0.383  0.00  0.00    -0.470 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -1.843   0.572   2.601  0.00  0.00    +0.045 C 
ATOM     26  C   LIG    1       -3.161   0.880   1.909  0.00  0.00    +0.100 C 
ATOM     27  C   LIG    1       -3.202   0.544   0.405  0.00  0.00    +0.206 C 
ATOM     28  C   LIG    1       -4.702   0.606   0.099  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -5.398   0.112   1.367  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -4.322   0.048   2.455  0.00  0.00    +0.038 C 
BRANCH  26  31
ATOM     31  O   LIG    1       -3.460   2.266   2.126  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1       -2.955   2.763   1.455  0.00  0.00    +0.210 HD
ENDBRANCH  26  31
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 8