REMARK  Name = BDB037093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.809  -0.877   0.972  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1       -1.338  -1.688  -0.034  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1       -0.992  -1.591  -0.987  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -1.322  -0.774   2.076  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        0.996  -0.020  -0.662  0.00  0.00    +0.133 A 
ATOM      6  C   LIG    1        0.442  -0.124   0.632  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1        1.091   0.507   1.708  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        2.271   1.226   1.516  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        2.831   1.331   0.239  0.00  0.00    -0.023 A 
ATOM     10  C   LIG    1        2.185   0.706  -0.842  0.00  0.00    +0.051 A 
BRANCH   5  12
ATOM     11  C   LIG    1        0.880  -0.551  -3.002  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        0.325  -0.628  -1.693  0.00  0.00    -0.494 OA
ENDBRANCH   5  12
BRANCH   9  13
ATOM     13  C   LIG    1        4.111   2.108   0.032  0.00  0.00    +0.178 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.252   1.440   0.643  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.761   1.900   1.805  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.782   1.074   2.051  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.940   0.102   1.047  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.940   0.369   0.142  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   1   6
BRANCH   2  19
ATOM     19  S   LIG    1       -2.771  -2.517   0.049  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -3.060  -2.982  -1.294  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.680  -3.467   1.138  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.975  -1.281   0.460  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -4.154  -0.157  -0.360  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -5.126   0.783   0.003  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -5.906   0.597   1.150  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.721  -0.524   1.954  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.754  -1.466   1.611  0.00  0.00    +0.032 A 
BRANCH  23  28
ATOM     28  O   LIG    1       -3.336  -0.026  -1.449  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -3.724   0.913  -2.445  0.00  0.00    +0.277 C 
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7