REMARK  Name = BDB049301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.949  -2.281  -1.349  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -0.363  -1.696  -1.387  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.075  -2.362  -2.380  0.00  0.00    +0.139 A 
ATOM      4  N   LIG    1       -2.341  -2.142  -2.773  0.00  0.00    -0.237 NA
ATOM      5  C   LIG    1       -2.948  -1.156  -2.067  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.388  -0.408  -1.027  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -0.269  -3.328  -2.910  0.00  0.00    -0.345 N 
ATOM      8  H   LIG    1       -0.562  -3.962  -3.639  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1       -1.057  -0.693  -0.679  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        0.948  -3.306  -2.287  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -3.159   0.625  -0.321  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -4.394   0.323   0.276  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -5.127   1.306   0.948  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -4.631   2.600   1.028  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1       -3.412   2.930   0.448  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -2.681   1.944  -0.223  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  O   LIG    1       -5.378   3.526   1.691  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1       -4.912   4.378   1.670  0.00  0.00    +0.292 HD
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  20
ATOM     19  O   LIG    1        2.905  -2.827  -0.184  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        2.105  -1.958  -0.510  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1        2.198  -0.614  -0.203  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        1.550  -0.005  -0.682  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.155   0.021   0.615  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.130  -0.660   1.348  0.00  0.00    +0.068 A 
ATOM     25  C   LIG    1        5.030   0.056   2.136  0.00  0.00    +0.119 A 
ATOM     26  C   LIG    1        4.975   1.442   2.213  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1        4.003   2.128   1.490  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        3.097   1.420   0.696  0.00  0.00    +0.023 A 
BRANCH  25  29
ATOM     29  O   LIG    1        5.997  -0.580   2.861  0.00  0.00    -0.507 OA
ATOM     30  H   LIG    1        5.927  -1.535   2.694  0.00  0.00    +0.292 HD
ENDBRANCH  25  29
ENDBRANCH  21  23
ENDBRANCH   1  20
TORSDOF 5