REMARK  Name = BDB012999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.034   1.550   0.138  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -0.309   1.483   0.537  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -1.330   1.369  -0.415  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -1.011   1.339  -1.778  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.324   1.396  -2.182  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.340   1.493  -1.229  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.739   1.307   0.061  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1       -3.590   0.535  -0.701  0.00  0.00    -0.252 N 
ATOM      9  H   LIG    1       -3.269  -0.008  -1.489  0.00  0.00    +0.158 HD
ATOM     10  O   LIG    1       -3.063   1.910   1.081  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -4.916   0.384  -0.393  0.00  0.00    +0.201 A 
ATOM     12  N   LIG    1       -5.533   0.991   0.671  0.00  0.00    -0.326 N 
ATOM     13  H   LIG    1       -5.058   1.598   1.327  0.00  0.00    +0.169 HD
ATOM     14  C   LIG    1       -6.850   0.618   0.672  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1       -6.963  -0.224  -0.430  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1       -8.208  -0.796  -0.727  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -9.300  -0.498   0.100  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -9.154   0.351   1.200  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -7.919   0.932   1.513  0.00  0.00    +0.028 A 
ATOM     20  N   LIG    1       -5.756  -0.358  -1.077  0.00  0.00    -0.214 NA
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1        2.138   1.646   1.167  0.00  0.00    +0.182 C 
BRANCH  21  24
ATOM     22  C   LIG    1        4.281  -1.228   0.816  0.00  0.00    +0.093 A 
ATOM     23  N   LIG    1        3.773  -0.050   0.630  0.00  0.00    -0.168 NA
ATOM     24  N   LIG    1        2.736   0.347   1.452  0.00  0.00    -0.225 N 
ATOM     25  C   LIG    1        2.200  -0.439   2.461  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1        1.265  -0.119   3.190  0.00  0.00    -0.266 OA
ATOM     27  C   LIG    1        2.838  -1.756   2.658  0.00  0.00    +0.074 A 
ATOM     28  C   LIG    1        3.843  -2.159   1.880  0.00  0.00    +0.035 A 
BRANCH  22  34
ATOM     29  C   LIG    1        8.303  -0.209  -1.961  0.00  0.00    +0.067 C 
ATOM     30  C   LIG    1        7.305  -1.171  -1.398  0.00  0.00    +0.061 A 
ATOM     31  N   LIG    1        7.435  -2.475  -1.728  0.00  0.00    -0.155 NA
ATOM     32  N   LIG    1        6.544  -3.395  -1.257  0.00  0.00    -0.157 NA
ATOM     33  C   LIG    1        5.541  -2.993  -0.452  0.00  0.00    +0.145 A 
ATOM     34  C   LIG    1        5.386  -1.674  -0.068  0.00  0.00    +0.024 A 
ATOM     35  C   LIG    1        6.285  -0.735  -0.568  0.00  0.00    +0.036 A 
ENDBRANCH  22  34
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 5