REMARK  Name = BDB027639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.011  -1.214   0.162  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -0.700  -2.311   0.703  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -2.057  -2.102   0.948  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -2.753  -3.180   1.475  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -2.232  -4.400   1.775  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.919  -4.561   1.541  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.674  -0.938   0.700  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -1.928   0.060   0.202  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.120  -3.564   1.015  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.616  -0.038  -0.071  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.592   1.348  -0.071  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -1.911   2.409  -0.689  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -2.577   3.602  -0.926  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -3.864   3.820  -0.592  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -4.515   2.799  -0.001  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -3.933   1.571   0.274  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        1.371  -1.337  -0.127  0.00  0.00    -0.327 N 
ATOM     18  H   LIG    1        1.482  -2.128  -0.760  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.988  -0.120  -0.670  0.00  0.00    +0.125 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.486  -0.325  -0.789  0.00  0.00    +0.184 C 
BRANCH  20  22
ATOM     21  C   LIG    1        4.239   2.236   0.094  0.00  0.00    +0.194 C 
ATOM     22  S   LIG    1        4.314   1.158  -1.319  0.00  0.00    -0.032 S 
ATOM     23  O   LIG    1        3.537   1.759  -2.385  0.00  0.00    -0.175 OA
ATOM     24  O   LIG    1        5.709   0.818  -1.526  0.00  0.00    -0.175 OA
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5