REMARK  Name = BDB037095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.135   1.433  -1.859  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1       -0.048   1.115  -1.187  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1       -0.004   0.874  -0.199  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        1.154   1.864  -3.002  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        2.499   0.753   0.229  0.00  0.00    +0.133 A 
ATOM      6  C   LIG    1        2.413   1.212  -1.103  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1        3.599   1.496  -1.805  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        4.849   1.330  -1.208  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        4.945   0.873   0.109  0.00  0.00    -0.023 A 
ATOM     10  C   LIG    1        3.765   0.587   0.818  0.00  0.00    +0.051 A 
BRANCH   5  12
ATOM     11  C   LIG    1        1.390   0.150   2.273  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        1.327   0.481   0.889  0.00  0.00    -0.494 OA
ENDBRANCH   5  12
BRANCH   9  13
ATOM     13  C   LIG    1        6.299   0.687   0.753  0.00  0.00    +0.178 C 
BRANCH  13  14
ATOM     14  N   LIG    1        7.021  -0.438   0.175  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        8.036  -0.218  -0.687  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        8.463  -1.446  -0.992  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.742  -2.448  -0.317  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.820  -1.765   0.440  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   1   6
BRANCH   2  19
ATOM     19  S   LIG    1       -1.567   1.374  -1.803  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -1.823   2.795  -1.889  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.750   0.491  -2.937  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -2.617   0.759  -0.502  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -2.474   1.216   0.804  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -3.295   0.701   1.804  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -4.281  -0.244   1.493  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -4.461  -0.708   0.179  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1       -3.604  -0.189  -0.813  0.00  0.00    +0.036 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -5.536  -1.744  -0.198  0.00  0.00    -0.013 C 
ATOM     29  C   LIG    1       -4.862  -2.998  -0.797  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -6.395  -2.215   0.997  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -6.499  -1.138  -1.241  0.00  0.00    +0.015 C 
ENDBRANCH  26  28
BRANCH  23  32
ATOM     32  O   LIG    1       -1.478   2.090   1.144  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -2.016   3.390   1.407  0.00  0.00    +0.277 C 
ENDBRANCH  23  32
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 8