REMARK  Name = BDB002544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.217  -0.334  -0.129  0.00  0.00    -0.194 N 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.350   1.773  -0.997  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        2.281   2.413  -0.370  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        1.102   1.708  -0.102  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.983   0.368  -0.468  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1        2.056  -0.280  -1.082  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        3.231   0.426  -1.348  0.00  0.00    +0.047 A 
BRANCH   2   8
ATOM      8  O   LIG    1        4.554   2.339  -1.311  0.00  0.00    -0.492 OA
BRANCH   8  10
ATOM      9  C   LIG    1        6.117   4.132  -1.447  0.00  0.00    +0.048 C 
ATOM     10  C   LIG    1        4.727   3.720  -0.996  0.00  0.00    +0.225 C 
ENDBRANCH   8  10
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  11
ATOM     11  S   LIG    1       -0.314  -0.991   1.430  0.00  0.00    +0.080 S 
ATOM     12  O   LIG    1        0.116  -0.011   2.402  0.00  0.00    -0.150 OA
ATOM     13  O   LIG    1       -1.617  -1.621   1.542  0.00  0.00    -0.150 OA
BRANCH  11  14
ATOM     14  C   LIG    1        0.800  -2.277   1.586  0.00  0.00    +0.173 A 
ATOM     15  C   LIG    1        0.591  -3.613   1.332  0.00  0.00    +0.161 A 
ATOM     16  C   LIG    1       -0.554  -4.441   0.907  0.00  0.00    +0.091 C 
ATOM     17  O   LIG    1        1.750  -4.286   1.562  0.00  0.00    -0.358 OA
ATOM     18  N   LIG    1        2.722  -3.408   1.992  0.00  0.00    -0.081 NA
ATOM     19  C   LIG    1        2.142  -2.200   2.031  0.00  0.00    +0.107 A 
ATOM     20  C   LIG    1        2.923  -1.038   2.522  0.00  0.00    +0.071 C 
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   1  21
ATOM     21  C   LIG    1       -0.939  -1.028  -1.219  0.00  0.00    +0.227 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.287  -0.359  -1.471  0.00  0.00    +0.236 C 
ATOM     23  N   LIG    1       -3.200  -0.549  -0.447  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1       -2.864  -1.046   0.379  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1       -2.489   0.255  -2.516  0.00  0.00    -0.274 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -4.529  -0.085  -0.375  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1       -5.237  -0.368   0.798  0.00  0.00    +0.061 A 
ATOM     28  C   LIG    1       -6.555   0.058   0.937  0.00  0.00    +0.125 A 
ATOM     29  F   LIG    1       -7.221  -0.222   2.065  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -7.191   0.766  -0.074  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -6.494   1.052  -1.244  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -5.168   0.628  -1.394  0.00  0.00    +0.023 A 
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 8