REMARK  Name = BDB028474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.893   2.671   1.636  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        0.165   2.483   0.665  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -1.125   1.990   0.777  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -1.548   1.540   2.100  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1       -2.810   0.691   2.055  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1       -3.940   1.494   1.420  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1       -3.530   2.193   0.115  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1       -2.091   1.914  -0.319  0.00  0.00    +0.110 C 
ATOM      9  N   LIG    1        0.580   2.739  -0.613  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1        0.210   2.128  -1.327  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -5.266   0.740   1.331  0.00  0.00    +0.219 C 
ATOM     12  N   LIG    1       -5.472  -0.190   0.342  0.00  0.00    -0.291 N 
ATOM     13  C   LIG    1       -4.511  -1.089  -0.283  0.00  0.00    +0.102 C 
ATOM     14  C   LIG    1       -4.368  -2.338   0.628  0.00  0.00    +0.182 C 
ATOM     15  O   LIG    1       -5.626  -3.027   0.788  0.00  0.00    -0.376 OA
ATOM     16  C   LIG    1       -6.687  -2.125   1.177  0.00  0.00    +0.182 C 
ATOM     17  C   LIG    1       -5.239  -1.460  -1.583  0.00  0.00    +0.026 C 
ATOM     18  C   LIG    1       -6.734  -1.338  -1.232  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -6.746  -0.897   0.238  0.00  0.00    +0.102 C 
ATOM     20  O   LIG    1       -6.161   1.007   2.138  0.00  0.00    -0.275 OA
ENDBRANCH   6  11
BRANCH   9  21
ATOM     21  C   LIG    1        1.931   3.195  -0.894  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.906   2.045  -1.191  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.364   1.225  -2.242  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        2.865   0.385  -2.173  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        3.219   1.153   0.029  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.078  -0.002  -0.344  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        5.465   0.430  -0.625  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        6.438  -0.717  -0.812  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        6.149  -1.999  -0.315  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        7.077  -3.036  -0.476  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        8.299  -2.796  -1.104  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.598  -1.522  -1.580  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.816  -2.269   0.333  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        7.675  -0.486  -1.433  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        4.099  -0.982   0.760  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 6