REMARK  Name = BDB060533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.880   0.702  -0.157  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.530  -0.534   0.429  0.00  0.00    -0.009 A 
ATOM      3  C   LIG    1       -2.105  -1.617  -0.326  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -2.606  -2.549   0.584  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -3.240  -3.733   0.188  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -3.368  -3.974  -1.182  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.879  -3.067  -2.117  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -2.345  -2.067   1.843  0.00  0.00    -0.360 N 
ATOM      9  H   LIG    1       -2.591  -2.540   2.701  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1       -2.247  -1.888  -1.704  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -1.709  -0.860   1.765  0.00  0.00    +0.088 A 
ENDBRANCH   1   2
BRANCH   1  15
ATOM     12  C   LIG    1        3.392   0.010   0.086  0.00  0.00    +0.132 A 
ATOM     13  C   LIG    1        2.705   0.389   1.235  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        1.330   0.623   1.170  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        0.623   0.478  -0.038  0.00  0.00    -0.034 A 
ATOM     16  C   LIG    1        1.344   0.066  -1.178  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        2.719  -0.174  -1.118  0.00  0.00    +0.046 A 
BRANCH  12  18
ATOM     18  O   LIG    1        4.760  -0.268   0.225  0.00  0.00    -0.426 OA
BRANCH  18  20
ATOM     19  C   LIG    1        7.032  -0.101  -0.345  0.00  0.00    +0.136 C 
ATOM     20  C   LIG    1        5.636   0.345  -0.666  0.00  0.00    +0.309 C 
ATOM     21  O   LIG    1        5.354   1.123  -1.567  0.00  0.00    -0.251 OA
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   1  22
ATOM     22  C   LIG    1       -1.534   1.922   0.495  0.00  0.00    +0.053 A 
ATOM     23  N   LIG    1       -0.792   2.759   1.269  0.00  0.00    -0.259 NA
ATOM     24  C   LIG    1       -1.398   3.844   1.798  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -2.730   4.158   1.599  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -3.488   3.309   0.805  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -2.887   2.185   0.244  0.00  0.00    +0.024 A 
ENDBRANCH   1  22
TORSDOF 5