REMARK  Name = BDB008588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.139  -0.457   0.046  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1        3.054  -0.744   1.087  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        2.725  -1.742   2.034  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.625  -2.041   3.072  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        4.842  -1.370   3.184  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        5.177  -0.389   2.260  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.501  -2.424   1.933  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        0.581  -2.136   0.915  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1        4.294  -0.081   1.224  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        0.926  -1.153  -0.029  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -0.760  -2.854   0.771  0.00  0.00    +0.104 C 
ATOM     12  C   LIG    1       -0.976  -4.079   1.673  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -1.905  -1.909   0.852  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -2.591  -1.620  -0.339  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -2.165  -1.990  -1.440  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -3.894  -0.794  -0.252  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -4.942  -1.426  -1.006  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -5.474  -0.607  -2.050  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -4.362   0.031  -2.887  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -3.474   0.918  -2.114  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -2.517   0.706  -2.405  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.598   0.666  -0.666  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -2.410  -1.544   2.159  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -1.546  -1.073   3.303  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -2.449  -0.104   2.614  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  26
ATOM     26  O   LIG    1        2.520   0.520  -0.842  0.00  0.00    -0.490 OA
BRANCH  26  27
ATOM     27  C   LIG    1        1.643   0.812  -1.935  0.00  0.00    +0.248 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.285   1.910  -2.780  0.00  0.00    +0.148 C 
BRANCH  28  30
ATOM     29  C   LIG    1        2.633   4.339  -2.666  0.00  0.00    +0.400 C 
ATOM     30  N   LIG    1        2.412   3.150  -2.042  0.00  0.00    -0.278 N 
ATOM     31  H   LIG    1        2.706   3.112  -1.075  0.00  0.00    +0.152 HD
ATOM     32  O   LIG    1        2.567   4.530  -3.870  0.00  0.00    -0.226 OA
BRANCH  29  34
ATOM     33  C   LIG    1        3.208   6.566  -2.283  0.00  0.00    +0.282 C 
ATOM     34  O   LIG    1        2.954   5.272  -1.737  0.00  0.00    -0.454 OA
ENDBRANCH  29  34
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9