REMARK  Name = BDB060532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.406  -0.122  -0.958  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.611  -0.064  -0.040  0.00  0.00    -0.009 A 
ATOM      3  C   LIG    1       -2.142   1.147   0.540  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -3.255   0.805   1.308  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -4.010   1.748   2.016  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -3.615   3.086   1.939  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.508   3.463   1.183  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -3.412  -0.554   1.204  0.00  0.00    -0.360 N 
ATOM      9  H   LIG    1       -4.151  -1.080   1.649  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1       -1.765   2.506   0.481  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -2.436  -1.087   0.406  0.00  0.00    +0.088 A 
ENDBRANCH   1   2
BRANCH   1  15
ATOM     12  C   LIG    1        3.340   0.428   1.205  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        2.243  -0.131   1.861  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        1.026  -0.315   1.197  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        0.873   0.069  -0.145  0.00  0.00    -0.034 A 
ATOM     16  C   LIG    1        1.992   0.621  -0.796  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        3.210   0.802  -0.130  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.602   1.139   1.353  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        4.466   0.547   1.971  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   1  20
ATOM     20  C   LIG    1       -0.466  -1.388  -1.802  0.00  0.00    +0.053 A 
ATOM     21  N   LIG    1       -0.996  -1.260  -3.051  0.00  0.00    -0.259 NA
ATOM     22  C   LIG    1       -1.058  -2.363  -3.829  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -0.608  -3.610  -3.436  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.060  -3.736  -2.167  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        0.014  -2.617  -1.340  0.00  0.00    +0.024 A 
ENDBRANCH   1  20
TORSDOF 4