REMARK  Name = BDB057174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.220  -0.251   0.232  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1        1.899  -1.444   0.272  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        1.477  -2.360   0.282  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        3.246  -1.184   0.297  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        3.332   0.205   0.270  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        4.604   0.811   0.285  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        5.739  -0.019   0.328  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        5.615  -1.410   0.355  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        4.359  -2.026   0.340  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        2.066   0.760   0.229  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1       -4.958  -0.659  -1.788  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1       -4.923  -0.737  -0.329  0.00  0.00    -0.301 NA
ATOM     13  C   LIG    1       -3.754  -1.502   0.155  0.00  0.00    +0.120 C 
ATOM     14  C   LIG    1       -2.498  -0.673   0.150  0.00  0.00    -0.022 A 
ATOM     15  C   LIG    1       -2.521   0.706   0.135  0.00  0.00    -0.004 A 
ATOM     16  S   LIG    1       -0.976   1.399   0.158  0.00  0.00    -0.090 S 
ATOM     17  C   LIG    1       -0.212  -0.140   0.197  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1       -3.776   1.516   0.058  0.00  0.00    +0.058 C 
ATOM     19  C   LIG    1       -1.152  -1.159   0.189  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.996   0.599   0.304  0.00  0.00    +0.089 C 
ENDBRANCH   1  17
BRANCH   6  21
ATOM     21  C   LIG    1        4.777   2.283   0.258  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        5.890   2.796   0.272  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1        3.648   3.049   0.217  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        2.722   2.625   0.206  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        3.735   4.054   0.199  0.00  0.00    +0.145 HD
ENDBRANCH   6  21
TORSDOF 2