REMARK  Name = BDB054904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.109   0.289  -0.381  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.188  -0.054   0.612  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.165   0.308   0.496  0.00  0.00    -0.030 A 
ATOM      4  C   LIG    1        1.592   1.008  -0.640  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        0.680   1.355  -1.633  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.663   0.999  -1.502  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.153  -0.714   0.664  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1       -2.482  -0.032  -0.331  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -3.029   0.282  -1.128  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -2.664  -1.191   1.682  0.00  0.00    -0.270 OA
BRANCH   7  18
ATOM     11  C   LIG    1       -5.370   1.396  -0.627  0.00  0.00    +0.167 A 
ATOM     12  C   LIG    1       -5.446   0.063  -0.135  0.00  0.00    +0.075 A 
ATOM     13  C   LIG    1       -6.784  -0.259  -0.309  0.00  0.00    +0.170 A 
ATOM     14  C   LIG    1       -7.370  -1.469   0.059  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -6.530  -2.412   0.655  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -5.174  -2.140   0.846  0.00  0.00    +0.014 A 
ATOM     17  O   LIG    1       -7.432   0.783  -0.890  0.00  0.00    -0.353 OA
ATOM     18  C   LIG    1       -4.606  -0.913   0.441  0.00  0.00    +0.051 A 
ATOM     19  N   LIG    1       -6.543   1.819  -1.099  0.00  0.00    -0.062 NA
BRANCH  11  20
ATOM     20  N   LIG    1       -4.254   2.156  -0.633  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1       -3.575   2.034   0.116  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -4.419   3.146  -0.809  0.00  0.00    +0.144 HD
ENDBRANCH  11  20
ENDBRANCH   7  18
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1        2.159  -0.091   1.558  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.923  -1.253   1.128  0.00  0.00    -0.186 NA
ATOM     25  H   LIG    1        2.417  -2.103   0.889  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  S   LIG    1        4.439  -1.503   1.779  0.00  0.00    +0.059 S 
ATOM     27  O   LIG    1        4.811  -2.862   1.456  0.00  0.00    -0.153 OA
ATOM     28  O   LIG    1        4.428  -1.015   3.140  0.00  0.00    -0.153 OA
BRANCH  26  29
ATOM     29  C   LIG    1        5.437  -0.424   0.785  0.00  0.00    +0.105 A 
ATOM     30  C   LIG    1        5.658  -0.747  -0.557  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        6.438   0.098  -1.346  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        6.996   1.252  -0.792  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.780   1.564   0.552  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        6.000   0.724   1.348  0.00  0.00    +0.028 A 
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7