REMARK  Name = BDB060025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.055  -3.663  -0.219  0.00  0.00    -0.435 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -4.080  -1.012   1.101  0.00  0.00    +0.098 A 
ATOM      3  N   LIG    1       -3.005  -1.618   0.551  0.00  0.00    -0.208 NA
ATOM      4  C   LIG    1       -3.111  -2.959   0.359  0.00  0.00    +0.262 A 
ATOM      5  C   LIG    1       -4.267  -3.687   0.688  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1       -5.339  -3.076   1.230  0.00  0.00    -0.234 NA
ATOM      7  C   LIG    1       -5.224  -1.736   1.422  0.00  0.00    +0.141 A 
BRANCH   2  10
ATOM      8  C   LIG    1       -5.348   0.926   3.509  0.00  0.00    +0.070 C 
ATOM      9  C   LIG    1       -4.510   1.265   2.334  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -3.974   0.415   1.326  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1       -3.235   1.275   0.537  0.00  0.00    +0.144 A 
ATOM     12  C   LIG    1       -2.389   1.119  -0.665  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1       -3.348   2.540   1.019  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1       -4.152   2.540   2.139  0.00  0.00    -0.083 NA
ENDBRANCH   2  10
BRANCH   5  15
ATOM     15  N   LIG    1       -4.367  -5.070   0.534  0.00  0.00    -0.339 N 
ATOM     16  H   LIG    1       -5.317  -5.348   0.763  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -4.072  -5.374  -0.387  0.00  0.00    +0.144 HD
ENDBRANCH   5  15
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  C   LIG    1       -0.940  -2.927  -0.528  0.00  0.00    +0.131 A 
ATOM     19  C   LIG    1       -0.738  -2.526  -1.848  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        0.404  -1.795  -2.178  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        1.343  -1.469  -1.189  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        1.151  -1.913   0.127  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        0.009  -2.647   0.456  0.00  0.00    +0.047 A 
BRANCH  21  24
ATOM     24  C   LIG    1        2.537  -0.673  -1.585  0.00  0.00    +0.244 C 
ATOM     25  N   LIG    1        3.090   0.124  -0.601  0.00  0.00    -0.308 N 
ATOM     26  H   LIG    1        2.538   0.306   0.227  0.00  0.00    +0.149 HD
ATOM     27  O   LIG    1        2.954  -0.722  -2.736  0.00  0.00    -0.270 OA
BRANCH  25  28
ATOM     28  C   LIG    1        4.169   1.055  -0.901  0.00  0.00    +0.073 C 
ATOM     29  C   LIG    1        3.618   2.344  -1.527  0.00  0.00    +0.022 C 
ATOM     30  C   LIG    1        4.724   3.365  -1.782  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1        5.523   3.659  -0.516  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        6.074   2.381   0.110  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1        4.969   1.361   0.370  0.00  0.00    +0.022 C 
ENDBRANCH  25  28
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 6