REMARK  Name = BDB063558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.077  -1.678   3.324  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        1.611  -1.065   2.069  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        0.773  -0.601   0.943  0.00  0.00    +0.063 C 
ATOM      4  C   LIG    1       -0.565  -0.687   0.946  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1        1.762  -0.086  -0.041  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        1.497   0.395  -1.129  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        2.993  -0.299   0.599  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        2.884  -0.884   1.856  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -1.490  -0.285  -0.055  0.00  0.00    +0.041 A 
ATOM     10  N   LIG    1       -1.114   0.260  -1.259  0.00  0.00    -0.360 N 
ATOM     11  H   LIG    1       -0.159   0.436  -1.561  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -2.221   0.526  -2.021  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -3.352   0.176  -1.308  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -2.874  -0.351  -0.071  0.00  0.00    +0.038 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -4.717   0.310  -1.817  0.00  0.00    +0.195 C 
ATOM     16  O   LIG    1       -4.960   0.459  -3.012  0.00  0.00    -0.287 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -5.857   0.248  -0.868  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -6.992  -0.484  -1.235  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -8.089  -0.550  -0.375  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -8.059   0.127   0.845  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.939   0.878   1.204  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -5.839   0.946   0.346  0.00  0.00    +0.012 A 
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   4   9
BRANCH   7  23
ATOM     23  C   LIG    1        4.290   0.008   0.113  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        5.422  -0.278   0.895  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1        6.713   0.015   0.441  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        6.899   0.602  -0.813  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1        5.785   0.892  -1.603  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        4.493   0.597  -1.143  0.00  0.00    +0.026 A 
BRANCH  26  29
ATOM     29  C   LIG    1        8.283   0.896  -1.257  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1        9.298   0.672  -0.624  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        8.331   1.458  -2.477  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        9.289   1.593  -2.636  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH   7  23
TORSDOF 6