REMARK  Name = BDB055823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.384  -0.936  -0.269  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1       -1.402   0.465  -0.325  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1       -0.582   1.147  -1.232  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        0.233   0.432  -2.110  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.238  -0.963  -2.077  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.569  -1.645  -1.166  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.556  -1.149   1.867  0.00  0.00    -0.312 N 
ATOM      8  H   LIG    1       -2.289  -0.188   2.039  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -2.225  -1.734   0.666  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -2.578  -2.864   0.347  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -4.909  -1.499   2.456  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -3.458  -1.783   2.804  0.00  0.00    +0.101 C 
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   5  13
ATOM     13  N   LIG    1        1.111  -1.661  -2.954  0.00  0.00    -0.216 N 
ATOM     14  H   LIG    1        1.349  -1.232  -3.847  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  S   LIG    1        2.392  -2.561  -2.319  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        3.285  -2.832  -3.426  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        1.874  -3.625  -1.489  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.211  -1.388  -1.256  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1        2.950  -1.400   0.119  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        3.581  -0.471   0.947  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        4.483   0.443   0.392  0.00  0.00    +0.088 A 
ATOM     22  C   LIG    1        4.753   0.449  -0.981  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        4.121  -0.479  -1.809  0.00  0.00    +0.030 A 
BRANCH  21  24
ATOM     24  S   LIG    1        5.255   1.654   1.444  0.00  0.00    -0.006 S 
ATOM     25  O   LIG    1        4.367   1.874   2.569  0.00  0.00    -0.170 OA
ATOM     26  O   LIG    1        5.669   2.757   0.598  0.00  0.00    -0.170 OA
ATOM     27  C   LIG    1        6.708   0.823   2.030  0.00  0.00    +0.200 C 
ENDBRANCH  21  24
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   5  13
BRANCH   2  28
ATOM     28  O   LIG    1       -2.181   1.200   0.539  0.00  0.00    -0.454 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -3.248   1.870  -0.011  0.00  0.00    +0.148 A 
ATOM     30  C   LIG    1       -4.076   1.346  -1.004  0.00  0.00    +0.069 A 
ATOM     31  C   LIG    1       -5.149   2.108  -1.455  0.00  0.00    +0.063 A 
ATOM     32 CL   LIG    1       -6.188   1.509  -2.683  0.00  0.00    -0.082 Cl
ATOM     33  C   LIG    1       -5.363   3.358  -0.891  0.00  0.00    +0.131 A 
ATOM     34  N   LIG    1       -4.587   3.886   0.086  0.00  0.00    -0.258 NA
ATOM     35  C   LIG    1       -3.552   3.123   0.508  0.00  0.00    +0.157 A 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 8