REMARK  Name = BDB026512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.426  -1.287   1.212  0.00  0.00    -0.272 N 
ATOM      2  C   LIG    1        2.272  -1.928  -0.018  0.00  0.00    +0.161 A 
ATOM      3  C   LIG    1        1.133  -1.401  -0.623  0.00  0.00    +0.089 A 
ATOM      4  C   LIG    1        0.721  -1.868  -1.850  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.502  -2.870  -2.428  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        2.633  -3.340  -1.747  0.00  0.00    +0.113 A 
ATOM      7  N   LIG    1        0.594  -0.427   0.224  0.00  0.00    -0.288 N 
ATOM      8  N   LIG    1        3.044  -2.893  -0.535  0.00  0.00    -0.236 NA
ATOM      9  C   LIG    1        1.401  -0.347   1.379  0.00  0.00    +0.332 A 
ATOM     10  O   LIG    1        1.218   0.388   2.337  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        3.524  -1.508   2.109  0.00  0.00    +0.163 C 
BRANCH  11  15
ATOM     12  C   LIG    1        6.904   1.017   1.142  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        6.823  -0.277   0.627  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        5.731  -1.094   0.944  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.711  -0.631   1.786  0.00  0.00    -0.027 A 
ATOM     16  C   LIG    1        4.792   0.673   2.288  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        5.882   1.486   1.970  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        8.974   1.482   0.072  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        7.911   1.913   0.911  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   7  20
ATOM     20  C   LIG    1       -0.590   0.369  -0.016  0.00  0.00    +0.159 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.811  -0.182   0.738  0.00  0.00    +0.148 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.170  -1.478   0.239  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -1.400  -2.052   0.395  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.020   0.784   0.679  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.330   1.333  -0.660  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -4.016   0.358  -1.534  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.483   0.136  -1.226  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.233   1.107  -0.538  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.598   0.894  -0.304  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.221  -0.264  -0.767  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.484  -1.220  -1.462  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.557   2.339   0.008  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -6.123  -1.021  -1.694  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.154   2.553  -0.578  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 8