REMARK  Name = BDB044608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.945  -3.213  -0.085  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1        0.613  -3.612   0.180  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.354  -4.973   0.385  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.381  -5.920   0.308  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        2.682  -5.525   0.014  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.965  -4.176  -0.188  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        3.510  -1.375   0.230  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        4.012  -2.052   0.791  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        2.280  -1.766  -0.272  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        1.441  -1.032  -0.783  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1        6.170   3.714   0.078  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        5.419   2.413   0.090  0.00  0.00    -0.036 A 
ATOM     13  C   LIG    1        4.209   2.219  -0.604  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1        3.568   0.966  -0.584  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        4.096  -0.093   0.154  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        5.286   0.106   0.860  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        5.938   1.342   0.832  0.00  0.00    +0.006 A 
BRANCH  13  18
ATOM     18  C   LIG    1        3.548   3.274  -1.407  0.00  0.00    +0.337 C 
ATOM     19  O   LIG    1        2.958   3.107  -2.458  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        3.587   4.478  -0.812  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        3.067   5.051  -1.414  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  13  18
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   2  22
ATOM     22  N   LIG    1       -0.411  -2.634   0.208  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1       -0.101  -1.697  -0.050  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1       -1.743  -2.792   0.535  0.00  0.00    +0.248 C 
ATOM     25  O   LIG    1       -2.263  -3.808   0.984  0.00  0.00    -0.270 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -2.592  -1.576   0.356  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -2.322  -0.607  -0.615  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -3.150   0.516  -0.744  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.272   0.700   0.081  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -4.537  -0.298   1.040  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -3.713  -1.421   1.174  0.00  0.00    +0.013 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -5.199   1.923  -0.037  0.00  0.00    -0.013 C 
ATOM     33  C   LIG    1       -5.225   2.687   1.305  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1       -4.770   2.930  -1.127  0.00  0.00    +0.015 C 
ATOM     35  C   LIG    1       -6.630   1.457  -0.383  0.00  0.00    +0.015 C 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH   2  22
TORSDOF 7