REMARK  Name = BDB060982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.624  -1.105  -1.447  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -3.177  -0.028  -0.630  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -2.074  -0.224   0.253  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -1.649   0.885   1.032  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.273   2.131   0.966  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.350   2.311   0.118  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.481  -1.518   0.304  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -1.980  -2.580  -0.459  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -3.795   1.246  -0.665  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -3.055  -2.374  -1.310  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -4.779  -1.026  -2.261  0.00  0.00    -0.357 N 
ATOM     12  H   LIG    1       -5.599  -1.318  -1.732  0.00  0.00    +0.142 HD
ATOM     13  H   LIG    1       -4.932  -0.097  -2.639  0.00  0.00    +0.142 HD
ENDBRANCH   1  11
BRANCH   7  14
ATOM     14  S   LIG    1       -0.084  -1.878   1.349  0.00  0.00    +0.059 S 
ATOM     15  O   LIG    1        0.390  -3.214   1.057  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1       -0.400  -1.471   2.699  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1        1.105  -0.852   0.720  0.00  0.00    -0.186 NA
ATOM     18  H   LIG    1        1.499  -1.294  -0.114  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.190  -0.552   1.676  0.00  0.00    +0.141 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.274   0.266   1.015  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1        2.979   1.529   0.480  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.976   2.290  -0.132  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.277   1.798  -0.214  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.582   0.544   0.314  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.586  -0.219   0.926  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   7  14
TORSDOF 5