REMARK  Name = BDB014472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.840   2.114   1.297  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        1.486   1.103   1.033  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.214   0.288  -0.046  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.957  -0.368  -0.275  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.322   0.674  -1.131  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.159   0.919  -0.759  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -1.326   2.230  -0.214  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -0.716   2.303   0.551  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -1.728  -0.171   0.184  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.153  -0.031   0.558  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -4.040  -0.001  -0.617  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -5.518  -0.117  -0.295  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.958  -0.567   0.961  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -7.330  -0.683   1.221  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -8.262  -0.378   0.230  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.832   0.052  -1.023  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.952  -0.860   2.042  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -6.467   0.180  -1.286  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.550  -1.112   1.473  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        2.626   0.605   1.926  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.586  -0.198   1.251  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.531   0.418   0.463  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1        5.474  -0.445  -0.155  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        6.465   0.110  -1.003  0.00  0.00    -0.014 A 
ATOM     25  C   LIG    1        7.404  -0.729  -1.626  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        7.378  -2.109  -1.423  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.414  -2.667  -0.593  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.499   1.495  -1.214  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        5.570   2.331  -0.600  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        5.475  -1.845   0.033  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1        4.589   1.797   0.234  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8