REMARK  Name = BDB048275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.044  -2.060   1.375  0.00  0.00    -0.226 NA
ATOM      2  C   LIG    1       -1.959  -2.511   0.837  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1       -1.650  -3.849   0.840  0.00  0.00    -0.249 N 
ATOM      4  C   LIG    1       -2.527  -4.826   1.450  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1       -0.470  -4.219   0.237  0.00  0.00    +0.259 C 
ATOM      6  O   LIG    1       -0.021  -5.354   0.143  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        0.222  -3.017  -0.303  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1        1.394  -3.102  -0.946  0.00  0.00    +0.028 C 
ATOM      9  S   LIG    1       -0.698  -1.604   0.028  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -3.924   2.061   1.312  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1       -3.211   1.502   2.381  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -2.918   0.136   2.398  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -3.322  -0.688   1.347  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1       -4.058  -0.139   0.294  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -4.353   1.226   0.273  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.584   3.816   1.984  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -4.256   3.531   1.300  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  C   LIG    1        2.127  -1.963  -1.503  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1        3.068  -1.282  -0.728  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        3.737  -0.196  -1.280  0.00  0.00    +0.125 A 
ATOM     21  N   LIG    1        3.511   0.219  -2.538  0.00  0.00    -0.240 NA
ATOM     22  C   LIG    1        2.595  -0.451  -3.272  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1        1.883  -1.539  -2.805  0.00  0.00    +0.028 A 
BRANCH  20  24
ATOM     24  N   LIG    1        4.671   0.463  -0.476  0.00  0.00    -0.270 N 
ATOM     25  H   LIG    1        4.812   0.106   0.460  0.00  0.00    +0.156 HD
ATOM     26  C   LIG    1        5.447   1.547  -0.761  0.00  0.00    +0.229 C 
ATOM     27  O   LIG    1        6.214   1.953   0.122  0.00  0.00    -0.275 OA
BRANCH  26  28
ATOM     28  C   LIG    1        5.378   2.232  -2.099  0.00  0.00    +0.216 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.261   3.432  -2.314  0.00  0.00    +0.314 C 
ATOM     30  O   LIG    1        6.254   4.053  -3.373  0.00  0.00    -0.250 OA
BRANCH  29  31
ATOM     31  O   LIG    1        7.069   3.808  -1.302  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1        6.993   3.240  -0.497  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  20  24
ENDBRANCH   8  18
TORSDOF 7