REMARK  Name = BDB033618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.208  -0.727   0.136  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.979   0.052   0.139  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.577  -0.256  -1.068  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        2.783   0.274  -1.510  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        3.407   1.183  -0.647  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        2.819   1.534   0.582  0.00  0.00    +0.061 A 
ATOM      7  O   LIG    1        0.800  -1.145  -1.741  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.605   0.967   1.007  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.324  -1.439  -0.988  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.129  -0.725   1.175  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.017  -0.024   1.904  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.674  -1.353   1.066  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -2.538  -2.778   0.846  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.388  -0.862   2.231  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.300   0.843  -0.455  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.388  -0.553  -0.344  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.048  -1.277  -1.340  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.596  -0.612  -2.445  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.460   0.769  -2.576  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.808   1.496  -1.584  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.605   2.368   1.251  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.665   1.591   0.503  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.290  -2.617  -1.222  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.468  -3.372  -2.115  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        0.971   1.254   2.187  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        1.763   1.869   3.198  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  S   LIG    1        4.948   1.938  -1.152  0.00  0.00    -0.063 S 
BRANCH  27  28
ATOM     28  C   LIG    1        6.062   0.917  -0.259  0.00  0.00    +0.139 A 
ATOM     29  S   LIG    1        7.625   0.541  -0.864  0.00  0.00    -0.069 S 
ATOM     30  C   LIG    1        7.934  -0.387   0.544  0.00  0.00    +0.067 A 
ATOM     31  C   LIG    1        6.838  -0.339   1.378  0.00  0.00    +0.120 A 
ATOM     32  N   LIG    1        5.774   0.414   0.922  0.00  0.00    -0.241 NA
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8