REMARK  Name = BDB037170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.080  -2.600   0.413  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.066  -2.610   1.423  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.708  -1.742  -0.375  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.583  -1.669  -1.588  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.710  -0.890   0.358  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        2.668  -0.334  -0.428  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.591   0.456   0.156  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.617   0.749   1.518  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.637   0.139   2.311  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.662  -0.674   1.730  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        4.582   1.013  -0.629  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        4.489   0.655  -2.007  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.716   1.606   2.091  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        4.294   2.386   3.251  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        4.591   1.960   4.498  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.093   2.916   5.287  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        3.474   3.945   4.555  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        3.616   3.575   3.238  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.382  -3.460  -0.172  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -0.918  -4.335  -1.225  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.048  -4.010   0.992  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -2.885  -1.141  -0.053  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -2.440  -2.213  -0.857  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -2.824  -2.329  -2.201  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1       -3.635  -1.342  -2.731  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -4.193  -1.250  -4.117  0.00  0.00    +0.036 C 
ATOM     27  C   LIG    1       -4.572   0.238  -4.183  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -4.935   0.656  -2.750  0.00  0.00    +0.036 C 
ATOM     29  C   LIG    1       -4.065  -0.265  -1.950  0.00  0.00    -0.041 A 
ATOM     30  C   LIG    1       -3.702  -0.151  -0.616  0.00  0.00    +0.051 A 
BRANCH  22  32
ATOM     31  C   LIG    1       -3.365  -0.537   2.179  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -2.436  -1.074   1.242  0.00  0.00    -0.493 OA
ENDBRANCH  22  32
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7