REMARK  Name = BDB033588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.227   1.227  -1.360  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.143   0.878  -1.242  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.694   1.936  -0.550  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1        2.033   2.030  -0.199  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1        2.850   0.946  -0.560  0.00  0.00    +0.141 A 
ATOM      6  C   LIG    1        2.352  -0.135  -1.322  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        3.260  -1.227  -1.829  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        2.598  -2.037  -2.933  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        1.191  -2.382  -2.493  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1        0.390  -1.209  -2.345  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1       -0.276   2.846  -0.270  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        0.973  -0.188  -1.635  0.00  0.00    +0.141 A 
ATOM     13  N   LIG    1       -1.487   2.396  -0.768  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -2.168   0.432  -1.999  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1       -1.881  -0.500  -2.292  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -3.821   0.618  -1.843  0.00  0.00    +0.081 S 
ATOM     17  O   LIG    1       -4.411  -0.594  -2.383  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -4.160   1.906  -2.410  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -3.553  -0.437   0.677  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -4.114   0.590  -0.096  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -4.903   1.560   0.529  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -5.109   1.512   1.914  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -4.506   0.519   2.683  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -3.724  -0.454   2.066  0.00  0.00    +0.048 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -3.463  -2.667   0.092  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -2.776  -1.412   0.104  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
BRANCH  21  27
ATOM     27  O   LIG    1       -5.593   2.502  -0.183  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -5.007   3.796  -0.032  0.00  0.00    +0.277 C 
ENDBRANCH  21  27
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  29
ATOM     29  O   LIG    1        4.175   1.089  -0.192  0.00  0.00    -0.437 OA
BRANCH  29  30
ATOM     30  C   LIG    1        4.729   0.087   0.579  0.00  0.00    +0.223 A 
ATOM     31  C   LIG    1        4.338  -0.157   1.898  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1        3.264   0.615   2.599  0.00  0.00    +0.049 C 
ATOM     33  C   LIG    1        4.998  -1.188   2.581  0.00  0.00    +0.010 A 
ATOM     34  C   LIG    1        6.029  -1.887   1.964  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        6.374  -1.534   0.674  0.00  0.00    +0.114 A 
ATOM     36  N   LIG    1        5.753  -0.563  -0.026  0.00  0.00    -0.221 NA
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 7