REMARK  Name = BDB028489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.665  -1.550   1.638  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.447  -2.324   0.709  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.402  -2.673  -0.229  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -3.771  -2.178  -0.055  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1       -4.381  -1.575  -1.344  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -3.884  -2.276  -2.625  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1       -3.338  -3.665  -2.325  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -2.159  -3.567  -1.361  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.202  -2.860   0.504  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.206  -3.774   0.082  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.232  -0.067  -1.486  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -5.281   0.677  -2.051  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -5.171   2.059  -2.215  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.009   2.717  -1.823  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -2.956   1.993  -1.272  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.063   0.610  -1.109  0.00  0.00    +0.004 A 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        0.906  -2.611   1.424  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.354  -1.131   1.473  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        0.568  -0.425   2.440  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -0.373  -0.644   2.254  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.852  -1.044   1.866  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.543   0.257   1.798  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        3.621   0.795   0.431  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        4.324   2.136   0.360  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.427   2.955   1.499  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        5.051   4.206   1.404  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.546   4.654   0.179  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.427   3.855  -0.955  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.925   2.457   2.832  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        4.816   2.603  -0.868  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        2.964   1.266   2.695  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6