REMARK  Name = BDB037162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.636  -0.551   2.402  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1        0.500   0.402   2.715  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.280  -1.216   1.571  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.005  -2.222   0.943  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.643  -0.590   1.494  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -2.336  -0.840   0.355  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1       -3.564  -0.293   0.236  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1       -4.148   0.518   1.207  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -3.413   0.757   2.375  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.147   0.197   2.526  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -4.299  -0.540  -0.902  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1       -3.631  -1.371  -1.846  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1       -5.521   1.107   1.025  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -5.585   2.153   0.005  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -6.735   2.322  -0.682  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -6.480   3.358  -1.486  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -5.192   3.885  -1.287  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -4.644   3.101  -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        2.162  -1.119   2.771  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        2.807   0.007   3.417  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        1.980  -2.369   3.470  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1        3.539  -2.520   0.809  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1        2.943  -1.325   1.197  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1        2.974  -0.207   0.337  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1        3.599  -0.262  -0.921  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1        4.207  -1.478  -1.278  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        4.180  -2.590  -0.427  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1        3.666   0.947  -1.872  0.00  0.00    -0.013 C 
ATOM     29  C   LIG    1        2.840   2.163  -1.396  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1        5.134   1.405  -2.001  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1        3.129   0.560  -3.268  0.00  0.00    +0.015 C 
ENDBRANCH  25  28
BRANCH  22  33
ATOM     32  C   LIG    1        2.679  -4.598   1.295  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        3.639  -3.598   1.639  0.00  0.00    -0.493 OA
ENDBRANCH  22  33
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8