REMARK  Name = BDB026622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.754  -0.472  -1.947  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -1.500  -0.308  -2.614  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1        0.482  -0.234  -2.467  0.00  0.00    +0.238 C 
ATOM      4  O   LIG    1        0.546   0.025  -3.672  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -4.743  -1.088   0.438  0.00  0.00    +0.066 C 
ATOM      6  C   LIG    1       -3.244  -1.196   0.472  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -2.569  -1.653   1.607  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.175  -1.723   1.523  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.510  -1.341   0.355  0.00  0.00    +0.044 A 
ATOM     10  C   LIG    1       -1.255  -0.883  -0.715  0.00  0.00    +0.125 A 
ATOM     11  N   LIG    1       -2.600  -0.823  -0.667  0.00  0.00    -0.236 NA
BRANCH   7  12
ATOM     12  C   LIG    1       -3.249  -2.058   2.841  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1       -3.618  -3.396   3.049  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -4.264  -3.782   4.226  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.546  -2.836   5.209  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.183  -1.504   5.018  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -3.537  -1.118   3.841  0.00  0.00    +0.008 A 
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   3  18
ATOM     18  C   LIG    1        1.710  -0.279  -1.589  0.00  0.00    +0.219 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.879   0.328  -2.203  0.00  0.00    -0.325 N 
ATOM     20  C   LIG    1        3.302   1.621  -2.083  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        2.646   2.757  -1.391  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        3.306   4.080  -1.837  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        4.845   3.982  -1.907  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1        5.322   2.898  -2.897  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1        4.508   1.667  -2.745  0.00  0.00    +0.062 A 
ATOM     26  N   LIG    1        4.835   0.446  -3.263  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        3.829  -0.338  -2.934  0.00  0.00    +0.200 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4