REMARK  Name = BDB033387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.013  -0.189   1.689  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.127   0.457   0.451  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -2.145   0.157  -0.466  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -1.950   1.023  -1.589  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1       -0.835   1.794  -1.345  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -3.086  -0.859  -0.143  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1       -4.213  -1.262  -1.058  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.940  -1.530   1.087  0.00  0.00    +0.006 A 
ATOM      9  N   LIG    1       -0.342   1.436  -0.121  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1        0.525   1.778   0.279  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -1.923  -1.204   1.980  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.010   0.122   2.632  0.00  0.00    -0.212 N 
ATOM     13  H   LIG    1        0.298   1.099   2.656  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        1.389  -0.883   2.634  0.00  0.00    +0.096 S 
ATOM     15  O   LIG    1        2.196  -0.455   3.759  0.00  0.00    -0.148 OA
ATOM     16  O   LIG    1        0.989  -2.264   2.465  0.00  0.00    -0.148 OA
BRANCH  14  20
ATOM     17  C   LIG    1        5.011  -0.790  -1.587  0.00  0.00    +0.053 C 
ATOM     18  C   LIG    1        3.962  -0.446  -0.593  0.00  0.00    +0.008 A 
ATOM     19  S   LIG    1        3.481  -1.575   0.605  0.00  0.00    -0.052 S 
ATOM     20  C   LIG    1        2.361  -0.435   1.204  0.00  0.00    +0.236 A 
ATOM     21  N   LIG    1        2.320   0.739   0.590  0.00  0.00    -0.229 NA
ATOM     22  C   LIG    1        3.244   0.724  -0.441  0.00  0.00    +0.124 A 
ENDBRANCH  14  20
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   4  23
ATOM     23  C   LIG    1       -2.733   1.101  -2.783  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1       -3.364   1.167  -3.755  0.00  0.00    -0.191 NA
ENDBRANCH   4  23
TORSDOF 4