REMARK  Name = BDB033437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.113  -1.488   1.081  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.126  -0.095   0.962  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -1.973   0.584   0.079  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -1.685   1.977   0.237  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1       -0.708   2.107   1.201  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -2.865  -0.170  -0.731  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1       -3.815   0.459  -1.717  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.850  -1.575  -0.602  0.00  0.00    +0.006 A 
ATOM      9  N   LIG    1       -0.392   0.853   1.642  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1        0.285   0.633   2.362  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -1.990  -2.221   0.284  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -0.170  -2.134   1.943  0.00  0.00    -0.214 N 
ATOM     13  H   LIG    1       -0.589  -2.909   2.462  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        1.211  -2.771   1.167  0.00  0.00    +0.080 S 
ATOM     15  O   LIG    1        2.070  -3.287   2.210  0.00  0.00    -0.149 OA
ATOM     16  O   LIG    1        0.773  -3.622   0.082  0.00  0.00    -0.149 OA
BRANCH  14  19
ATOM     17  C   LIG    1        3.414   0.520   0.023  0.00  0.00    +0.258 A 
ATOM     18  S   LIG    1        2.937  -0.366   1.409  0.00  0.00    -0.009 S 
ATOM     19  C   LIG    1        2.088  -1.457   0.401  0.00  0.00    +0.168 A 
ATOM     20  C   LIG    1        2.231  -1.078  -0.915  0.00  0.00    +0.151 A 
ATOM     21  N   LIG    1        2.987   0.059  -1.131  0.00  0.00    -0.212 NA
BRANCH  17  23
ATOM     22  C   LIG    1        4.496   2.252  -1.079  0.00  0.00    +0.279 C 
ATOM     23  O   LIG    1        4.163   1.615   0.149  0.00  0.00    -0.475 OA
ENDBRANCH  17  23
ENDBRANCH  14  19
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   4  24
ATOM     24  C   LIG    1       -2.281   3.078  -0.456  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1       -2.766   3.971  -1.017  0.00  0.00    -0.191 NA
ENDBRANCH   4  24
TORSDOF 5