REMARK  Name = BDB035055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.767   0.408   1.779  0.00  0.00    +0.078 S 
ATOM      2  O   LIG    1        1.686  -0.497   2.904  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        2.212   1.778   1.909  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1        2.470  -1.543  -0.055  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1        2.853  -0.374   0.608  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1        4.108   0.198   0.364  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        4.974  -0.400  -0.553  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        4.584  -1.559  -1.229  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.330  -2.127  -0.988  0.00  0.00    +0.049 A 
BRANCH   4  11
ATOM     10  C   LIG    1        1.289  -3.309   0.842  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        1.218  -2.069   0.128  0.00  0.00    -0.493 OA
ENDBRANCH   4  11
BRANCH   7  12
ATOM     12  C   LIG    1        6.257   0.178  -0.806  0.00  0.00    -0.066 C 
ATOM     13  C   LIG    1        7.334   0.666  -1.013  0.00  0.00    -0.094 C 
BRANCH  13  14
ATOM     14  C   LIG    1        8.619   1.253  -1.257  0.00  0.00    +0.064 C 
ATOM     15  C   LIG    1        9.714   1.043  -0.245  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1        9.071   2.392  -0.381  0.00  0.00    +0.017 C 
ENDBRANCH  13  14
ENDBRANCH   7  12
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  N   LIG    1        0.310   0.408   0.976  0.00  0.00    -0.179 N 
ATOM     18  H   LIG    1        0.239  -0.305   0.258  0.00  0.00    +0.177 HD
ATOM     19  C   LIG    1       -0.860   0.897   1.578  0.00  0.00    +0.298 C 
ATOM     20  O   LIG    1       -0.852   1.513   2.633  0.00  0.00    -0.265 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -2.058   0.588   0.819  0.00  0.00    +0.192 A 
ATOM     22  O   LIG    1       -3.269   0.880   1.393  0.00  0.00    -0.450 OA
ATOM     23  C   LIG    1       -4.243   0.511   0.520  0.00  0.00    +0.138 A 
ATOM     24  C   LIG    1       -3.682  -0.018  -0.628  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1       -4.543  -0.454  -1.641  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -5.933  -0.328  -1.440  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -6.505   0.226  -0.274  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1       -5.617   0.641   0.738  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1       -2.277   0.033  -0.434  0.00  0.00    +0.063 A 
BRANCH  27  30
ATOM     30  N   LIG    1       -7.898   0.312  -0.118  0.00  0.00    -0.336 N 
ATOM     31  C   LIG    1       -8.442   0.975   1.067  0.00  0.00    +0.129 C 
ATOM     32  C   LIG    1       -8.723   0.407  -1.323  0.00  0.00    +0.129 C 
ENDBRANCH  27  30
ENDBRANCH  19  21
ENDBRANCH   1  17
TORSDOF 7