REMARK  Name = BDB051464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.044   0.533  -0.243  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.744   0.012  -0.378  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.588  -1.239  -0.967  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.233  -1.456  -0.954  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -0.771  -2.271  -1.326  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.611  -0.385  -0.355  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -3.653  -2.013  -1.435  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.938  -1.479  -1.289  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.517   0.505   0.006  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -5.136  -0.227  -0.703  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.838  -0.260  -0.156  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.742  -1.282  -0.476  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.121  -1.115  -0.268  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        3.630   0.078   0.264  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.725   1.094   0.593  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        1.351   0.928   0.384  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        5.058   0.285   0.494  0.00  0.00    +0.078 A 
ATOM     18  N   LIG    1        5.504   1.262   1.375  0.00  0.00    -0.247 NA
ATOM     19  C   LIG    1        6.817   1.265   1.412  0.00  0.00    +0.156 A 
ATOM     20  S   LIG    1        7.603   0.124   0.406  0.00  0.00    -0.083 S 
ATOM     21  C   LIG    1        6.067  -0.425  -0.131  0.00  0.00    +0.075 A 
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  25
ATOM     22  N   LIG    1       -5.275   1.944   1.275  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -5.321   2.816   1.787  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -5.629   1.115   1.732  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1       -4.263   1.863   0.354  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -3.606   2.848   0.051  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 3