REMARK  Name = BDB005068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.665  -1.340   0.334  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        0.456  -2.136  -0.255  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.034  -1.310   1.562  0.00  0.00    +0.252 C 
ATOM      4  O   LIG    1        0.300  -0.566   2.497  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.020   1.562  -0.040  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1        2.053   0.704   0.516  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        1.642  -0.450  -0.156  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        2.203  -0.745  -1.404  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        3.164   0.094  -1.967  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.571   1.240  -1.288  0.00  0.00    +0.005 A 
BRANCH   5  12
ATOM     11  C   LIG    1        4.868   2.629   1.290  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1        3.459   2.799   0.721  0.00  0.00    +0.078 C 
BRANCH  12  13
ATOM     13  N   LIG    1        3.410   3.989  -0.132  0.00  0.00    -0.324 NA
ATOM     14  H   LIG    1        3.615   4.812   0.431  0.00  0.00    +0.119 HD
ATOM     15  H   LIG    1        2.455   4.105  -0.470  0.00  0.00    +0.119 HD
ENDBRANCH  12  13
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   3  16
ATOM     16  C   LIG    1       -1.003  -2.322   1.695  0.00  0.00    +0.079 A 
ATOM     17  C   LIG    1       -2.025  -2.604   0.797  0.00  0.00    +0.131 A 
ATOM     18  O   LIG    1       -2.796  -3.625   1.279  0.00  0.00    -0.466 OA
ATOM     19  C   LIG    1       -2.315  -3.954   2.503  0.00  0.00    +0.196 A 
ATOM     20  C   LIG    1       -1.230  -3.174   2.815  0.00  0.00    +0.054 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -2.459  -2.029  -0.515  0.00  0.00    +0.159 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.538  -1.039  -0.371  0.00  0.00    -0.291 NA
ATOM     23  C   LIG    1       -4.168  -0.733  -1.674  0.00  0.00    +0.113 C 
ATOM     24  C   LIG    1       -3.309   0.159  -2.587  0.00  0.00    +0.175 C 
ATOM     25  O   LIG    1       -2.949   1.381  -1.934  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1       -2.258   1.122  -0.706  0.00  0.00    +0.175 C 
ATOM     27  C   LIG    1       -3.097   0.238   0.234  0.00  0.00    +0.113 C 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   3  16
TORSDOF 6