REMARK  Name = BDB059081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.452   0.181  -0.277  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.745  -0.382  -1.435  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -0.553  -1.252  -0.983  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1        0.406  -0.514  -0.144  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.102   0.753   0.423  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -1.587   0.655   0.831  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.761  -0.761  -0.144  0.00  0.00    +0.199 A 
ATOM      8  N   LIG    1        2.182  -2.009  -0.509  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1        1.512  -2.739  -0.676  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1        3.484  -2.402  -0.466  0.00  0.00    +0.257 A 
ATOM     11  O   LIG    1        3.821  -3.567  -0.651  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        4.464  -1.345  -0.154  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1        5.899  -1.749  -0.226  0.00  0.00    +0.132 C 
ATOM     14  S   LIG    1        7.081  -0.370  -0.290  0.00  0.00    -0.038 S 
ATOM     15  C   LIG    1        6.255   0.630   0.974  0.00  0.00    +0.096 C 
ATOM     16  C   LIG    1        4.851   1.024   0.540  0.00  0.00    +0.068 C 
ATOM     17  O   LIG    1        6.919   0.402  -1.748  0.00  0.00    -0.162 OA
ATOM     18  C   LIG    1        3.962  -0.141   0.167  0.00  0.00    +0.055 A 
ATOM     19  N   LIG    1        2.619   0.147   0.208  0.00  0.00    -0.220 NA
ENDBRANCH   4   7
BRANCH   1  21
ATOM     20  C   LIG    1       -4.547   1.069   0.675  0.00  0.00    +0.141 A 
ATOM     21  C   LIG    1       -3.696   0.802  -0.424  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1       -4.185   1.185  -1.686  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -5.416   1.837  -1.841  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -6.202   2.126  -0.731  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.766   1.744   0.531  0.00  0.00    +0.047 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -4.596  -0.672   2.165  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -4.215   0.690   1.958  0.00  0.00    -0.493 OA
ENDBRANCH  20  27
ENDBRANCH   1  21
TORSDOF 3