REMARK  Name = BDB026418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.798   0.405  -1.794  0.00  0.00    -0.274 N 
ATOM      2  C   LIG    1       -2.867  -0.914  -2.431  0.00  0.00    +0.049 C 
ATOM      3  C   LIG    1       -3.091  -2.037  -1.407  0.00  0.00    +0.033 C 
ATOM      4  C   LIG    1       -3.916  -0.991  -3.541  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -1.442  -1.036  -3.015  0.00  0.00    +0.134 C 
ATOM      6  N   LIG    1       -0.651  -0.170  -2.165  0.00  0.00    -0.281 N 
ATOM      7  C   LIG    1       -1.477   0.800  -1.585  0.00  0.00    +0.306 C 
ATOM      8  O   LIG    1       -1.100   1.814  -1.023  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -3.931   1.163  -1.284  0.00  0.00    +0.145 C 
BRANCH   9  14
ATOM     10  C   LIG    1       -6.067  -0.910   3.726  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.529  -0.351   2.443  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1       -4.225   0.152   2.381  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -3.712   0.645   1.179  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -4.487   0.629   0.012  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1       -5.790   0.119   0.075  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -6.303  -0.374   1.278  0.00  0.00    +0.003 A 
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   6  17
ATOM     17  C   LIG    1        0.763   0.075  -2.427  0.00  0.00    +0.142 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.597   0.115  -1.132  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.392  -1.134  -0.446  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        0.429  -1.176  -0.293  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.097   0.291  -1.470  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.958   0.721  -0.344  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        3.921  -0.243   0.775  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        4.966   0.006   1.847  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.080   0.826   1.605  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.037   1.020   2.610  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.903   0.381   3.842  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.811  -0.450   4.081  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.206   1.542   0.286  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        4.848  -0.638   3.089  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        5.344   0.898  -0.806  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 7