REMARK  Name = BDB002677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.009   1.733  -1.089  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -1.245   2.178  -0.613  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -2.193   2.706  -1.495  0.00  0.00    +0.086 A 
ATOM      4  C   LIG    1       -1.850   2.877  -2.842  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -0.603   2.465  -3.317  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        0.316   1.883  -2.443  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.664   0.038  -0.651  0.00  0.00    -0.203 N 
ATOM      8  H   LIG    1        1.191  -0.456  -1.402  0.00  0.00    +0.178 HD
ATOM      9  C   LIG    1        0.935   1.106  -0.128  0.00  0.00    +0.263 C 
ATOM     10  O   LIG    1        0.993   1.530   1.022  0.00  0.00    -0.268 OA
BRANCH   7  13
ATOM     11  C   LIG    1        3.954   1.035   0.698  0.00  0.00    +0.068 C 
ATOM     12  C   LIG    1        3.362  -0.353   0.860  0.00  0.00    +0.063 C 
ATOM     13  N   LIG    1        2.351  -0.813   0.175  0.00  0.00    -0.184 NA
BRANCH  12  14
ATOM     14  C   LIG    1        4.017  -1.266   1.851  0.00  0.00    -0.003 A 
ATOM     15  C   LIG    1        4.736  -0.761   2.942  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        5.336  -1.634   3.853  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.219  -3.013   3.682  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.495  -3.523   2.605  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        3.893  -2.653   1.694  0.00  0.00    +0.010 A 
ENDBRANCH  12  14
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  N   LIG    1       -3.448   3.113  -1.016  0.00  0.00    -0.154 NA
ATOM     21  N   LIG    1       -4.391   2.283  -0.977  0.00  0.00    -0.179 NA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.352   0.960  -1.646  0.00  0.00    +0.155 C 
ATOM     23  C   LIG    1       -5.806   0.501  -1.798  0.00  0.00    +0.039 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -3.562  -0.105  -0.904  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1       -3.619  -0.217   0.493  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -2.852  -1.174   1.159  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.032  -2.039   0.438  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -1.984  -1.956  -0.952  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.747  -0.997  -1.621  0.00  0.00    +0.006 A 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   3  20
TORSDOF 6