REMARK  Name = BDB046902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.459  -0.343  -0.973  0.00  0.00    -0.220 N 
ATOM      2  N   LIG    1       -2.486  -0.796  -1.821  0.00  0.00    -0.173 NA
ATOM      3  C   LIG    1       -1.399  -0.935  -1.066  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -1.620  -0.600   0.280  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -2.948  -0.227   0.308  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1       -9.291   1.325  -1.024  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -8.189   1.118  -0.532  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1       -7.053   0.615  -1.327  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -5.824   0.404  -0.677  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -4.782  -0.074  -1.485  0.00  0.00    +0.180 A 
ATOM     11  N   LIG    1       -4.958  -0.318  -2.828  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1       -6.158  -0.097  -3.392  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1       -5.697   0.676   0.704  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1       -6.718   1.114   1.353  0.00  0.00    +0.200 A 
ATOM     15  C   LIG    1       -7.238   0.368  -2.686  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1       -7.936   1.340   0.793  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -8.709   1.685   1.346  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -0.655  -0.651   1.417  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.525   0.332   1.287  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.480   0.018   0.206  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1        2.291  -1.181   0.446  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1        3.359  -1.017   1.529  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1        4.222   0.247   1.378  0.00  0.00    +0.021 C 
ATOM     24  C   LIG    1        3.398   1.470   0.943  0.00  0.00    +0.023 C 
ATOM     25  C   LIG    1        2.341   1.163  -0.118  0.00  0.00    +0.085 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.479   0.033   0.542  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1        5.448  -0.306  -0.817  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.630  -0.491  -1.539  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.865  -0.340  -0.915  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.918  -0.004   0.433  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.737   0.181   1.155  0.00  0.00    +0.004 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5