REMARK  Name = BDB033471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.161  -0.457   2.810  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -2.901  -0.397   3.510  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -4.190  -2.572  -2.169  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.682  -1.941  -0.898  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -3.964  -0.597  -0.528  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -3.440  -0.096   0.673  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -3.861   1.216   0.778  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -3.572   1.847   1.520  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -4.630   1.563  -0.296  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -2.639  -0.868   1.527  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -2.408  -2.196   1.169  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -4.716   0.466  -1.123  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -2.903  -2.719  -0.021  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.440   0.446  -2.356  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -6.028   0.426  -3.357  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1       -1.191   0.932   2.901  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1       -2.042   2.062   2.572  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1       -0.517   0.886   4.183  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        0.077   0.852   1.651  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        1.212  -0.421   1.766  0.00  0.00    -0.042 S 
ATOM     21  C   LIG    1        1.965   0.137   0.326  0.00  0.00    +0.095 A 
ATOM     22  C   LIG    1        1.269   1.229  -0.156  0.00  0.00    +0.133 A 
ATOM     23  N   LIG    1        0.198   1.653   0.608  0.00  0.00    -0.228 NA
BRANCH  21  24
ATOM     24  C   LIG    1        3.109  -0.569  -0.211  0.00  0.00    +0.255 C 
ATOM     25  N   LIG    1        4.145   0.184  -0.749  0.00  0.00    -0.297 N 
ATOM     26  C   LIG    1        5.312  -0.477  -1.309  0.00  0.00    +0.108 C 
ATOM     27  C   LIG    1        6.178   0.659  -1.831  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1        5.876   1.782  -0.848  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1        4.385   1.612  -0.584  0.00  0.00    +0.108 C 
ATOM     30  O   LIG    1        3.181  -1.799  -0.200  0.00  0.00    -0.269 OA
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5