REMARK  Name = BDB014567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.349  -0.501   3.834  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        0.187  -0.434   2.618  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.202  -0.657   1.714  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.997  -0.496   0.734  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.558  -0.947   2.133  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.329   0.282   2.638  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        4.489  -0.140   3.368  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        4.168  -0.575   4.179  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        3.727   1.301   1.536  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        4.558   0.877   0.406  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        5.764   0.132   0.749  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        6.663  -0.035  -0.457  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        6.072  -0.375  -1.685  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        6.872  -0.598  -2.809  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        8.257  -0.465  -2.713  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        8.847  -0.122  -1.496  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.579  -0.552  -1.714  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        8.053   0.087  -0.367  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        3.843   0.442  -0.792  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       -1.173  -0.120   1.992  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.050   0.123   0.591  0.00  0.00    -0.481 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.193   0.462  -0.075  0.00  0.00    +0.140 A 
ATOM     23  C   LIG    1       -3.481   0.485   0.451  0.00  0.00    +0.061 A 
ATOM     24  C   LIG    1       -4.550   0.847  -0.376  0.00  0.00    +0.058 A 
ATOM     25  C   LIG    1       -4.288   1.218  -1.686  0.00  0.00    +0.124 A 
ATOM     26  N   LIG    1       -3.052   1.190  -2.235  0.00  0.00    -0.259 NA
ATOM     27  C   LIG    1       -2.040   0.813  -1.415  0.00  0.00    +0.156 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -5.915   0.902   0.179  0.00  0.00    +0.248 C 
ATOM     29  N   LIG    1       -6.959   0.301  -0.512  0.00  0.00    -0.293 N 
ATOM     30  C   LIG    1       -6.812  -0.698  -1.581  0.00  0.00    +0.136 C 
ATOM     31  C   LIG    1       -7.930  -1.745  -1.513  0.00  0.00    +0.179 C 
ATOM     32  O   LIG    1       -9.243  -1.181  -1.615  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -9.363   0.135  -1.054  0.00  0.00    +0.179 C 
ATOM     34  C   LIG    1       -8.316   0.448   0.018  0.00  0.00    +0.136 C 
ATOM     35  O   LIG    1       -6.066   1.484   1.251  0.00  0.00    -0.270 OA
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9