REMARK  Name = BDB032984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.477   0.076  -0.612  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        2.136  -0.109   0.581  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        1.605  -0.206   1.435  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        1.960   0.126  -1.734  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -0.401  -1.572  -2.233  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -0.883  -0.577  -1.214  0.00  0.00    -0.037 A 
ATOM      7  C   LIG    1        0.001   0.203  -0.458  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -0.504   1.137   0.450  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -1.887   1.285   0.617  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -2.816   0.517  -0.105  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1       -2.271  -0.396  -1.031  0.00  0.00    +0.027 A 
BRANCH  10  12
ATOM     12  N   LIG    1       -4.196   0.683   0.052  0.00  0.00    -0.336 N 
ATOM     13  C   LIG    1       -5.110  -0.295  -0.535  0.00  0.00    +0.129 C 
ATOM     14  C   LIG    1       -4.702   1.403   1.220  0.00  0.00    +0.129 C 
ENDBRANCH  10  12
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  C   LIG    1        3.487  -0.249   0.764  0.00  0.00    +0.167 A 
ATOM     16  S   LIG    1        4.620  -0.145  -0.508  0.00  0.00    -0.028 S 
ATOM     17  C   LIG    1        5.868  -0.414   0.608  0.00  0.00    +0.185 A 
ATOM     18  C   LIG    1        5.363  -0.563   1.878  0.00  0.00    +0.153 A 
ATOM     19  N   LIG    1        3.984  -0.463   1.963  0.00  0.00    -0.231 NA
BRANCH  17  20
ATOM     20  N   LIG    1        7.239  -0.467   0.219  0.00  0.00    +0.065 N 
ATOM     21  O   LIG    1        7.519  -0.311  -0.976  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        8.057  -0.669   1.127  0.00  0.00    -0.126 OA
ENDBRANCH  17  20
ENDBRANCH   2  15
TORSDOF 4