REMARK  Name = BDB027626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.050  -0.976   0.257  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.861  -1.811   1.048  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.234  -1.585   0.948  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        3.048  -2.407   1.713  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.628  -3.394   2.546  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        1.300  -3.576   2.635  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.760  -0.630   0.170  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.908   0.141  -0.520  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.388  -2.823   1.919  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.570   0.005  -0.491  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.478   1.205  -1.368  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.864   1.411  -1.452  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.358   2.422  -2.263  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        3.579   3.241  -2.995  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        2.249   3.043  -2.911  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        1.665   2.058  -2.129  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.346  -1.136   0.307  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1       -1.544  -2.128   0.165  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -3.695  -0.875  -0.200  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1       -2.285  -0.316  -0.494  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1       -2.037  -0.560  -2.003  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.209   1.195  -0.218  0.00  0.00    +0.190 C 
BRANCH  22  23
ATOM     23  S   LIG    1       -2.699   1.788   1.385  0.00  0.00    -0.032 S 
ATOM     24  O   LIG    1       -2.322   3.191   1.436  0.00  0.00    -0.175 OA
ATOM     25  O   LIG    1       -4.082   1.420   1.623  0.00  0.00    -0.175 OA
ATOM     26  C   LIG    1       -1.690   0.945   2.578  0.00  0.00    +0.194 C 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 5