REMARK  Name = BDB060575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.591  -2.404   0.461  0.00  0.00    +0.162 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        0.730  -1.757   1.318  0.00  0.00    +0.126 A 
ATOM      3  C   LIG    1       -0.339  -2.663   1.267  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -0.249  -3.841   2.032  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        0.878  -4.106   2.813  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.924  -3.190   2.859  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        1.846  -2.010   2.122  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1        0.634  -0.574   0.636  0.00  0.00    -0.488 OA
BRANCH   8   9
ATOM      9  C   LIG    1        1.627  -0.444  -0.395  0.00  0.00    +0.256 C 
BRANCH   9  12
ATOM     10  C   LIG    1        4.768  -0.571  -0.192  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1        3.912   0.641   0.064  0.00  0.00    -0.073 C 
ATOM     12  C   LIG    1        2.566   0.667  -0.019  0.00  0.00    +0.012 C 
BRANCH  11  13
ATOM     13  C   LIG    1        4.671   1.892   0.472  0.00  0.00    +0.041 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.404   2.540  -0.701  0.00  0.00    +0.125 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.100   3.802  -0.272  0.00  0.00    +0.305 C 
ATOM     16  O   LIG    1        6.177   4.263   0.854  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1        6.688   4.429  -1.310  0.00  0.00    -0.481 OA
ATOM     18  H   LIG    1        7.100   5.223  -0.909  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   3
BRANCH   1  19
ATOM     19  N   LIG    1       -1.358  -2.159  -0.961  0.00  0.00    -0.323 N 
ATOM     20  C   LIG    1       -1.897  -1.113  -1.698  0.00  0.00    +0.141 A 
ATOM     21  N   LIG    1       -1.551  -1.224  -2.968  0.00  0.00    -0.236 NA
ATOM     22  C   LIG    1       -0.815  -2.368  -3.068  0.00  0.00    +0.134 A 
ATOM     23  C   LIG    1       -0.704  -2.997  -1.848  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1       -0.050  -4.279  -1.499  0.00  0.00    +0.065 C 
BRANCH  20  25
ATOM     25  C   LIG    1       -2.785  -0.073  -1.182  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1       -2.326   0.921  -0.315  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -3.199   1.904   0.168  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -4.549   1.922  -0.215  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -4.996   0.933  -1.103  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1       -4.123  -0.050  -1.586  0.00  0.00    +0.012 A 
BRANCH  28  31
ATOM     31  C   LIG    1       -5.454   2.950   0.295  0.00  0.00    +0.135 A 
ATOM     32  O   LIG    1       -6.769   2.838  -0.068  0.00  0.00    -0.463 OA
ATOM     33  C   LIG    1       -7.438   3.873   0.500  0.00  0.00    +0.196 A 
ATOM     34  C   LIG    1       -6.579   4.659   1.229  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -5.300   4.065   1.098  0.00  0.00    +0.050 A 
ENDBRANCH  28  31
ENDBRANCH  20  25
ENDBRANCH   1  19
TORSDOF 11