REMARK  Name = BDB047237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.075   0.984  -0.755  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.788   1.822   0.106  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.677   1.295   1.047  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.862  -0.088   1.143  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -1.150  -0.926   0.274  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.261  -0.394  -0.667  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.762   1.641  -1.612  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.504   0.888  -2.576  0.00  0.00    +0.248 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.818   0.336  -1.999  0.00  0.00    +0.147 C 
BRANCH   9  11
ATOM     10  C   LIG    1        4.737   1.576  -2.965  0.00  0.00    +0.131 C 
ATOM     11  N   LIG    1        3.818   1.411  -1.840  0.00  0.00    -0.315 N 
BRANCH  11  12
ATOM     12  C   LIG    1        4.467   1.408  -0.592  0.00  0.00    +0.121 A 
ATOM     13  N   LIG    1        5.811   1.279  -0.531  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1        6.404   1.294   0.684  0.00  0.00    +0.113 A 
ATOM     15  C   LIG    1        5.721   1.439   1.877  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        4.345   1.586   1.817  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        3.715   1.575   0.574  0.00  0.00    +0.043 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1       -2.832  -0.672   2.145  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.169  -0.992   1.554  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1       -4.637  -2.202   1.216  0.00  0.00    +0.206 A 
ATOM     21  N   LIG    1       -5.919  -2.209   0.716  0.00  0.00    -0.276 N 
ATOM     22  C   LIG    1       -6.633  -3.381   0.272  0.00  0.00    +0.156 C 
ATOM     23  C   LIG    1       -6.521  -0.957   0.657  0.00  0.00    +0.293 A 
ATOM     24  O   LIG    1       -7.641  -0.678   0.263  0.00  0.00    -0.259 OA
ATOM     25  S   LIG    1       -5.375   0.241   1.274  0.00  0.00    -0.027 S 
BRANCH  20  26
ATOM     26  O   LIG    1       -3.920  -3.357   1.343  0.00  0.00    -0.493 OA
ATOM     27  H   LIG    1       -4.469  -4.093   1.038  0.00  0.00    +0.294 HD
ENDBRANCH  20  26
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 8