REMARK  Name = BDB028616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.415   2.673   0.622  0.00  0.00    -0.196 N 
ATOM      2  H   LIG    1        0.013   2.626   1.545  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.270   2.087  -0.434  0.00  0.00    +0.192 A 
ATOM      4  C   LIG    1        1.592   1.583  -0.330  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        1.861   1.103  -1.596  0.00  0.00    +0.173 A 
ATOM      6  C   LIG    1        3.059   0.508  -1.980  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        4.047   0.401  -0.987  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        3.797   0.880   0.317  0.00  0.00    +0.052 A 
ATOM      9  O   LIG    1        0.779   1.303  -2.393  0.00  0.00    -0.353 OA
ATOM     10  C   LIG    1        2.571   1.470   0.676  0.00  0.00    +0.135 A 
ATOM     11  N   LIG    1       -0.224   1.919  -1.664  0.00  0.00    -0.060 NA
BRANCH  10  12
ATOM     12  O   LIG    1        2.251   1.944   1.919  0.00  0.00    -0.494 OA
ATOM     13  C   LIG    1        3.188   1.702   2.964  0.00  0.00    +0.277 C 
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1        5.382  -0.231  -1.315  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1        5.544  -1.515  -0.647  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        6.207  -1.589   0.528  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        6.176  -2.890   0.825  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        5.505  -3.649  -0.150  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        5.109  -2.732  -1.095  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   3
BRANCH   1  20
ATOM     20  S   LIG    1       -2.061   2.927   0.643  0.00  0.00    +0.077 S 
ATOM     21  O   LIG    1       -2.411   3.830  -0.434  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.417   3.262   2.009  0.00  0.00    -0.150 OA
BRANCH  20  27
ATOM     23  C   LIG    1       -4.137  -0.085  -1.124  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1       -3.856  -1.177  -0.272  0.00  0.00    +0.127 A 
ATOM     25  C   LIG    1       -3.037  -1.001   0.850  0.00  0.00    +0.093 A 
ATOM     26  C   LIG    1       -2.503   0.256   1.147  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -2.754   1.331   0.298  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -3.573   1.167  -0.826  0.00  0.00    +0.039 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -5.312   0.903  -3.220  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -5.023  -0.305  -2.337  0.00  0.00    +0.035 C 
ENDBRANCH  23  30
BRANCH  24  31
ATOM     31  O   LIG    1       -4.428  -2.372  -0.632  0.00  0.00    -0.495 OA
ATOM     32  C   LIG    1       -4.169  -3.503   0.188  0.00  0.00    +0.277 C 
ENDBRANCH  24  31
BRANCH  26  33
ATOM     33  O   LIG    1       -1.663   0.394   2.221  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -2.383   0.287   3.452  0.00  0.00    +0.277 C 
ENDBRANCH  26  33
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 9