REMARK  Name = BDB033793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.754   3.015  -2.654  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1       -1.048   2.105  -1.710  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.627   0.983  -1.163  0.00  0.00    +0.222 A 
ATOM      4  N   LIG    1       -0.988   0.115  -0.353  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1        0.286   0.401  -0.038  0.00  0.00    +0.223 A 
ATOM      6  N   LIG    1        0.932   1.476  -0.508  0.00  0.00    -0.222 NA
ATOM      7  C   LIG    1        0.260   2.296  -1.338  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   5   8
ATOM      8  N   LIG    1        0.902  -0.523   0.802  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        0.258  -1.272   1.008  0.00  0.00    +0.155 HD
BRANCH   8  10
ATOM     10  C   LIG    1        2.167  -0.605   1.395  0.00  0.00    +0.034 A 
ATOM     11  C   LIG    1        2.494  -1.768   2.114  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        3.745  -1.927   2.720  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.695  -0.914   2.603  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        4.394   0.255   1.906  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        3.139   0.399   1.301  0.00  0.00    +0.025 A 
BRANCH  13  16
ATOM     16  S   LIG    1        6.269  -1.083   3.388  0.00  0.00    +0.056 S 
ATOM     17  O   LIG    1        6.762   0.225   3.751  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1        6.221  -2.180   4.326  0.00  0.00    -0.153 OA
BRANCH  16  19
ATOM     19  N   LIG    1        7.235  -1.609   2.120  0.00  0.00    -0.204 NA
ATOM     20  H   LIG    1        7.963  -0.920   1.930  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1        7.591  -2.544   2.318  0.00  0.00    +0.144 HD
ENDBRANCH  16  19
ENDBRANCH  13  16
ENDBRANCH   8  10
ENDBRANCH   5   8
BRANCH   3  22
ATOM     22  O   LIG    1       -2.921   0.691  -1.541  0.00  0.00    -0.470 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -3.640  -0.142  -0.621  0.00  0.00    +0.203 C 
ATOM     24  C   LIG    1       -3.605  -1.629  -1.014  0.00  0.00    +0.155 C 
ATOM     25  C   LIG    1       -4.487  -1.694  -2.254  0.00  0.00    +0.035 C 
ATOM     26  C   LIG    1       -5.555  -0.621  -2.041  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -5.127   0.173  -0.801  0.00  0.00    +0.047 C 
BRANCH  24  28
ATOM     28  O   LIG    1       -2.322  -2.168  -1.281  0.00  0.00    -0.388 OA
ATOM     29  H   LIG    1       -1.666  -1.495  -1.011  0.00  0.00    +0.210 HD
ENDBRANCH  24  28
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7