REMARK  Name = BDB053557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.630  -0.691  -0.949  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.634   0.502  -1.679  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.844   1.580  -1.274  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.042   1.490  -0.134  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.032   0.303   0.596  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.822  -0.780   0.191  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.493  -1.859  -1.371  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -3.934  -1.805  -0.846  0.00  0.00    +0.230 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.960  -1.830   0.683  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -3.525  -2.741   1.371  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -4.540  -0.718   1.203  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -4.775  -0.128   0.448  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -4.629  -0.620  -1.289  0.00  0.00    -0.365 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -6.640  -1.364  -2.416  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -5.254  -0.763  -2.566  0.00  0.00    +0.157 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        0.680   2.619   0.141  0.00  0.00    -0.486 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.458   2.648   1.345  0.00  0.00    +0.288 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.770   1.952   1.226  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        3.665   1.943   0.177  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1        3.700   2.554  -1.162  0.00  0.00    +0.088 C 
ATOM     21  O   LIG    1        4.720   1.153   0.532  0.00  0.00    -0.440 OA
ATOM     22  C   LIG    1        4.416   0.714   1.796  0.00  0.00    +0.228 A 
ATOM     23  N   LIG    1        3.263   1.173   2.252  0.00  0.00    -0.210 NA
BRANCH  22  24
ATOM     24  C   LIG    1        5.348  -0.239   2.614  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1        5.035  -0.673   3.883  0.00  0.00    +0.058 A 
ATOM     26  S   LIG    1        6.245  -1.706   4.518  0.00  0.00    -0.104 S 
ATOM     27  C   LIG    1        7.188  -1.569   3.095  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        6.593  -0.754   2.155  0.00  0.00    +0.021 A 
ENDBRANCH  22  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 10