REMARK  Name = BDB014641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.221   1.234  -0.609  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -0.779   0.114  -0.845  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.560  -0.123  -1.123  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.793  -1.004  -1.565  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.483   0.984  -1.324  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.924   0.649  -0.903  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        3.792   1.617  -1.495  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        4.703   1.307  -1.352  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        3.056   0.635   0.642  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        4.362   0.302   1.237  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        5.243   1.466   1.403  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        6.617   1.128   1.948  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        7.092  -0.195   1.967  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        8.379  -0.469   2.451  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        9.202   0.568   2.888  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        8.743   1.882   2.856  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.191  -1.322   1.532  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        7.458   2.162   2.388  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        5.047  -0.838   0.632  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -1.631  -1.160  -0.848  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.008  -0.846  -0.725  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.913  -1.866  -0.855  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1       -5.269  -1.483  -0.922  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -6.252  -2.487  -1.023  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -5.901  -3.835  -1.076  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.562  -4.201  -1.018  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.571  -3.223  -0.904  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -5.680  -0.017  -0.837  0.00  0.00    +0.087 C 
ATOM     29  N   LIG    1       -6.776   0.287  -1.781  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1       -6.365   0.374  -2.710  0.00  0.00    +0.123 HD
ATOM     31  C   LIG    1       -7.538   1.491  -1.450  0.00  0.00    +0.081 C 
ATOM     32  C   LIG    1       -6.783   2.483  -0.573  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -6.355   1.847   0.747  0.00  0.00    +0.003 C 
ATOM     34  C   LIG    1       -6.051   0.354   0.607  0.00  0.00    +0.023 C 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9