REMARK  Name = BDB055777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.585   1.438   0.058  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.238   1.871   0.163  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.089   3.219   0.009  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -0.931   4.143  -0.252  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -2.267   3.731  -0.359  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -2.588   2.381  -0.205  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.158  -3.335   0.065  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -4.130  -1.918   0.418  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -3.905  -1.057  -0.762  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -2.447  -0.591  -0.979  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -1.863   0.057   0.226  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -2.604  -0.214   1.484  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -3.132  -1.665   1.482  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  N   LIG    1        0.701   0.850   0.418  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        0.259  -0.064   0.489  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        2.069   0.947   0.566  0.00  0.00    +0.220 C 
ATOM     17  O   LIG    1        2.717   1.986   0.516  0.00  0.00    -0.275 OA
BRANCH  16  18
ATOM     18  C   LIG    1        2.723  -0.419   0.817  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1        4.181  -0.269   1.287  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        4.965  -1.560   1.091  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        5.047  -1.952  -0.384  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1        3.885  -1.418  -1.221  0.00  0.00    +0.001 C 
ATOM     23  C   LIG    1        2.591  -1.338  -0.416  0.00  0.00    +0.013 C 
ENDBRANCH  16  18
ENDBRANCH   2  14
BRANCH   4  24
ATOM     24  N   LIG    1       -0.603   5.566  -0.417  0.00  0.00    +0.056 N 
ATOM     25  O   LIG    1        0.579   5.911  -0.282  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1       -1.533   6.341  -0.683  0.00  0.00    -0.126 OA
ENDBRANCH   4  24
TORSDOF 4