REMARK  Name = BDB032638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.582   0.188   0.356  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1        0.304   1.146   0.746  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1        1.418   0.549   1.307  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        1.196  -0.764   1.252  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1       -0.058  -1.045   0.670  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -1.921   1.787  -1.047  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -1.835   0.647  -0.232  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -3.015  -0.076   0.024  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.258   0.310  -0.513  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -4.300   1.446  -1.333  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -3.141   2.174  -1.608  0.00  0.00    +0.047 A 
BRANCH   9  12
ATOM     12  C   LIG    1       -5.477  -0.461  -0.224  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1       -6.605   0.157   0.342  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -7.763  -0.574   0.619  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -7.814  -1.935   0.332  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.707  -2.567  -0.231  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.549  -1.835  -0.506  0.00  0.00    +0.008 A 
ENDBRANCH   9  12
BRANCH   6  19
ATOM     18  C   LIG    1       -0.777   3.780  -0.806  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -0.785   2.477  -1.391  0.00  0.00    -0.494 OA
ENDBRANCH   6  19
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  N   LIG    1        2.075  -1.738   1.696  0.00  0.00    -0.197 N 
ATOM     21  H   LIG    1        1.924  -2.708   1.438  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1        3.656  -1.430   2.163  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1        4.294  -2.731   2.260  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        3.597  -0.562   3.320  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.383  -0.608   0.773  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1        4.241  -1.173  -0.503  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1        4.753  -0.515  -1.628  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        5.461   0.674  -1.478  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        5.652   1.210  -0.205  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1        5.101   0.581   0.919  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1        3.553  -2.347  -0.683  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1        4.442  -3.404  -1.058  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  O   LIG    1        5.395   1.102   2.148  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1        4.642   2.290   2.401  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 8