REMARK  Name = BDB063877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.235  -3.287  -1.661  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.081  -2.223  -1.096  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.109  -1.337  -0.480  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.411  -1.650  -0.498  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.492  -0.241   0.085  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.773  -0.420  -0.156  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.063  -1.540  -0.850  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.992  -1.861  -1.091  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.512  -0.869   0.089  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.518   0.534   0.088  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.622   1.211   0.637  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.718   0.529   1.169  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.731   1.330   1.673  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.404   2.592   1.522  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.710  -0.878   1.150  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.895   2.908   0.780  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.613  -1.560   0.607  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.735   0.449   0.252  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -1.323   1.309   0.603  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.037   0.597  -0.377  0.00  0.00    +0.101 C 
ATOM     21  C   LIG    1       -3.997  -0.559  -0.049  0.00  0.00    +0.135 C 
ATOM     22  C   LIG    1       -5.367   0.034  -0.353  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -5.262   1.512   0.009  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -3.775   1.805   0.201  0.00  0.00    +0.025 C 
BRANCH  21  25
ATOM     25  O   LIG    1       -3.757  -1.707  -0.859  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1       -4.463  -2.349  -0.655  0.00  0.00    +0.210 HD
ENDBRANCH  21  25
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4