REMARK  Name = BDB028606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.850  -0.423   1.241  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        0.058  -0.297   0.084  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.562   0.368  -1.016  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1       -0.367   0.368  -2.008  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1       -1.503  -0.297  -1.576  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1        1.826   0.944  -1.077  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        2.624   0.829   0.075  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1       -1.240  -0.697  -0.330  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1        2.134   0.154   1.213  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        1.159  -1.377   3.403  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        0.300  -1.086   2.305  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1       -2.118  -1.400   0.480  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1       -1.830  -1.631   1.429  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -3.632  -1.924   0.043  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -3.567  -2.635  -1.215  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -4.176  -2.571   1.222  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -4.542  -0.416  -0.184  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1       -4.789   0.062  -1.473  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1       -5.528   1.232  -1.642  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -6.028   1.911  -0.529  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.795   1.420   0.757  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.054   0.251   0.934  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  23
ATOM     23  C   LIG    1        4.013   1.431   0.084  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.921   0.697  -0.785  0.00  0.00    -0.267 N 
ATOM     25  N   LIG    1        5.214   1.173  -2.014  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        6.062   0.269  -2.509  0.00  0.00    +0.134 A 
ATOM     27  C   LIG    1        6.327  -0.772  -1.601  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        5.579  -0.465  -0.489  0.00  0.00    +0.108 A 
ENDBRANCH  23  24
ENDBRANCH   7  23
TORSDOF 6