REMARK  Name = BDB033469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.061   0.628   2.976  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -1.788   0.728   3.686  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -3.090   1.941  -2.272  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.584   1.515  -0.918  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.874   0.247  -0.341  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -2.355  -0.061   0.927  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -2.793  -1.333   1.240  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -2.525  -1.837   2.082  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -3.558  -1.843   0.229  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.545   0.830   1.647  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -1.312   2.087   1.085  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -3.629  -0.893  -0.763  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -1.805   2.419  -0.173  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -4.345  -1.065  -1.990  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -4.920  -1.199  -2.989  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1       -0.153  -0.769   3.305  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1       -1.073  -1.890   3.228  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        0.576  -0.513   4.530  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.056  -1.000   2.016  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        2.244   0.215   1.825  0.00  0.00    -0.042 S 
ATOM     21  C   LIG    1        2.854  -0.620   0.453  0.00  0.00    +0.095 A 
ATOM     22  C   LIG    1        2.138  -1.788   0.274  0.00  0.00    +0.133 A 
ATOM     23  N   LIG    1        1.087  -1.994   1.147  0.00  0.00    -0.228 NA
BRANCH  21  24
ATOM     24  C   LIG    1        3.992  -0.098  -0.276  0.00  0.00    +0.254 C 
ATOM     25  N   LIG    1        3.998  -0.239  -1.671  0.00  0.00    -0.303 N 
ATOM     26  C   LIG    1        2.799  -0.350  -2.491  0.00  0.00    +0.132 C 
ATOM     27  C   LIG    1        5.224   0.078  -2.384  0.00  0.00    +0.132 C 
ATOM     28  O   LIG    1        4.943   0.429   0.303  0.00  0.00    -0.269 OA
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5