REMARK  Name = BDB061982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.966  -0.403  -0.013  0.00  0.00    +0.228 A 
ATOM      2  O   LIG    1       -1.527  -1.464   0.741  0.00  0.00    -0.435 OA
ATOM      3  C   LIG    1       -0.171  -1.331   0.739  0.00  0.00    +0.156 A 
ATOM      4  C   LIG    1        0.148  -0.211  -0.006  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1        1.497   0.146  -0.163  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        2.479  -0.651   0.447  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        2.098  -1.785   1.193  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        0.755  -2.155   1.360  0.00  0.00    +0.050 A 
ATOM      9  N   LIG    1       -1.001   0.371  -0.481  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -6.197   0.017  -0.579  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1       -5.692  -1.042   0.185  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.314  -1.188   0.374  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -3.411  -0.277  -0.193  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -3.924   0.785  -0.951  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -5.301   0.933  -1.141  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -8.299   1.041   0.327  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -7.683   0.184  -0.768  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1        3.867  -0.397   0.354  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1        4.461  -1.054   0.838  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        4.496   0.682  -0.253  0.00  0.00    +0.255 C 
ATOM     21  O   LIG    1        3.901   1.625  -0.764  0.00  0.00    -0.269 OA
BRANCH  20  22
ATOM     22  C   LIG    1        5.960   0.611  -0.215  0.00  0.00    +0.076 A 
ATOM     23  S   LIG    1        6.865   2.057  -0.462  0.00  0.00    -0.060 S 
ATOM     24  C   LIG    1        8.344   1.246  -0.290  0.00  0.00    +0.164 A 
ATOM     25  C   LIG    1        8.188  -0.103  -0.061  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        6.807  -0.471  -0.022  0.00  0.00    +0.023 A 
BRANCH  24  27
ATOM     27  N   LIG    1        9.592   1.958  -0.392  0.00  0.00    +0.063 N 
ATOM     28  O   LIG    1       10.620   1.277  -0.270  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1        9.562   3.179  -0.587  0.00  0.00    -0.126 OA
ENDBRANCH  24  27
ENDBRANCH  20  22
ENDBRANCH   6  18
TORSDOF 5