REMARK  Name = BDB059343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.931  -1.522  -3.162  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        1.221  -1.499  -2.161  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.697  -1.129  -0.916  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.060  -0.918  -0.149  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.210  -1.879  -2.228  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.186  -1.175  -1.505  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -2.524  -1.559  -1.592  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -2.875  -2.646  -2.398  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -1.909  -3.332  -3.137  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -0.574  -2.943  -3.059  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -3.573  -0.975  -0.940  0.00  0.00    -0.489 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -3.358   0.275  -0.276  0.00  0.00    +0.173 C 
ATOM     13  C   LIG    1       -4.718   0.944  -0.086  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -5.341   0.226   1.109  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -4.175  -0.350   1.910  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -2.906   0.062   1.167  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.985  -0.289  -0.923  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        3.419  -0.324  -1.860  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.711   1.355  -0.520  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        2.868   2.123  -1.734  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        1.490   1.403   0.263  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.082   1.681   0.552  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        4.013   1.285   1.892  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.083   1.558   2.743  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.208   2.228   2.259  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.266   2.632   0.923  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.200   2.363   0.065  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6