REMARK  Name = BDB002254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.945   2.227   0.583  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        0.268   1.075   1.076  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -0.915   0.847   0.376  0.00  0.00    +0.052 A 
ATOM      4  S   LIG    1       -1.037   2.104  -0.804  0.00  0.00    +0.014 S 
ATOM      5  N   LIG    1        0.372   2.876  -0.424  0.00  0.00    -0.202 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        0.729   0.233   2.136  0.00  0.00    +0.103 C 
ATOM      7  N   LIG    1        1.051  -0.480   2.994  0.00  0.00    -0.191 NA
ENDBRANCH   2   6
BRANCH   3   8
ATOM      8  C   LIG    1       -1.884  -0.193   0.548  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -2.950  -0.385  -0.244  0.00  0.00    +0.071 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.932  -1.368  -0.154  0.00  0.00    -0.342 N 
ATOM     11  C   LIG    1       -4.058  -2.250   1.008  0.00  0.00    +0.128 C 
ATOM     12  C   LIG    1       -5.127  -1.302  -1.001  0.00  0.00    +0.128 C 
ENDBRANCH   9  10
ENDBRANCH   3   8
BRANCH   1  13
ATOM     13  S   LIG    1        2.486   2.817   1.192  0.00  0.00    -0.098 S 
BRANCH  13  14
ATOM     14  C   LIG    1        3.526   2.515  -0.274  0.00  0.00    +0.131 C 
BRANCH  14  19
ATOM     15  C   LIG    1        4.079  -2.389   0.197  0.00  0.00    +0.073 C 
ATOM     16  C   LIG    1        3.729  -1.093  -0.446  0.00  0.00    +0.076 A 
ATOM     17  S   LIG    1        3.021  -1.068  -2.011  0.00  0.00    -0.081 S 
ATOM     18  C   LIG    1        2.953   0.641  -1.940  0.00  0.00    +0.071 A 
ATOM     19  C   LIG    1        3.461   1.092  -0.735  0.00  0.00    +0.059 A 
ATOM     20  N   LIG    1        3.913   0.085   0.108  0.00  0.00    -0.248 NA
ENDBRANCH  14  19
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 6