REMARK  Name = BDB037163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.438   1.845   0.374  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1        0.016   2.338  -0.384  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.029   0.638   0.922  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -0.503   0.106   1.885  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.202   0.002   0.225  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.875  -0.919   0.961  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.948  -1.515   0.403  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.389  -1.254  -0.890  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.678  -0.304  -1.632  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.570   0.333  -1.075  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.659  -2.439   1.141  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        3.150  -2.621   2.461  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.604  -1.925  -1.467  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.779  -1.075  -1.336  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.091  -0.199  -2.316  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.208   0.384  -1.872  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.614  -0.116  -0.621  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.671  -1.063  -0.300  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.672   2.756   1.039  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -1.896   3.810   0.069  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.286   3.065   2.396  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -3.894   1.448   2.060  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -3.075   1.682   0.961  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.349   1.052  -0.267  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1       -4.438   0.178  -0.417  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -5.245  -0.044   0.709  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -4.989   0.592   1.927  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -4.716  -0.511  -1.730  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -6.066  -0.356  -2.393  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -4.862   0.299  -2.998  0.00  0.00    +0.009 C 
ENDBRANCH  25  28
BRANCH  22  32
ATOM     31  C   LIG    1       -3.157   1.250   4.232  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -3.730   2.109   3.243  0.00  0.00    -0.493 OA
ENDBRANCH  22  32
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8