REMARK  Name = BDB046937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.977  -0.584  -0.174  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -3.006   0.370  -0.032  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1       -4.340  -0.035   0.120  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -4.624  -1.385   0.107  0.00  0.00    +0.111 A 
ATOM      5  N   LIG    1       -3.687  -2.335  -0.053  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -2.406  -1.914  -0.206  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.644  -0.210  -0.419  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1       -0.470   0.757  -0.119  0.00  0.00    +0.146 HD
BRANCH   7   9
ATOM      9  C   LIG    1        0.435  -1.098   0.017  0.00  0.00    +0.144 C 
BRANCH   9  13
ATOM     10  C   LIG    1        5.517   0.404   0.745  0.00  0.00    +0.051 C 
ATOM     11  C   LIG    1        4.154   0.195   0.181  0.00  0.00    -0.013 A 
ATOM     12  S   LIG    1        2.994  -0.701   1.063  0.00  0.00    -0.097 S 
ATOM     13  C   LIG    1        1.804  -0.495  -0.151  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        2.292   0.239  -1.214  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        3.646   0.639  -1.021  0.00  0.00    +0.011 A 
ENDBRANCH   9  13
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  C   LIG    1       -2.681   1.820   0.005  0.00  0.00    +0.339 C 
ATOM     17  O   LIG    1       -1.571   2.304   0.137  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -3.766   2.607  -0.125  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -3.400   3.517  -0.101  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 5