REMARK  Name = BDB016351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.768  -0.388   2.178  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.348   0.835   1.366  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.393   0.505   0.323  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.483   0.263   0.712  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.693  -0.283  -0.798  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.990  -0.520  -1.312  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.152  -1.353  -2.440  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.067  -1.910  -3.105  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.787  -1.634  -2.658  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.212  -0.025  -0.814  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.056  -0.387  -1.242  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.523   0.896   0.127  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.717   1.112   0.359  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.579  -0.821  -1.528  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.466   1.687   0.821  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.821  -0.559  -1.137  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        1.590  -1.551  -0.509  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        2.916  -1.301  -0.141  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        3.489  -0.057  -0.395  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        2.741   0.936  -1.028  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        1.415   0.686  -1.393  0.00  0.00    +0.010 A 
BRANCH  19  22
ATOM     22  N   LIG    1        4.832   0.231  -0.022  0.00  0.00    -0.221 N 
ATOM     23  H   LIG    1        5.312   0.972  -0.531  0.00  0.00    +0.173 HD
BRANCH  22  24
ATOM     24  S   LIG    1        5.287   0.166   1.597  0.00  0.00    +0.040 S 
ATOM     25  O   LIG    1        6.642   0.674   1.642  0.00  0.00    -0.155 OA
ATOM     26  O   LIG    1        4.951  -1.125   2.155  0.00  0.00    -0.155 OA
ATOM     27  C   LIG    1        4.233   1.397   2.341  0.00  0.00    +0.218 C 
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 3