REMARK  Name = BDB028098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.022  -1.610  -0.646  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.013  -1.131  -1.492  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -1.202  -0.802  -0.920  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.412  -0.280  -1.565  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -3.374  -0.151  -0.572  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.844  -0.470   0.747  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -2.511  -0.025  -2.749  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.454  -0.919   0.444  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -0.469  -1.382   1.296  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.772  -1.725   0.743  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.633   0.555  -0.799  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -4.611   1.954  -0.159  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -3.654   2.722  -0.230  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -5.725   2.309   0.556  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.688   3.247   0.936  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.398   1.438   1.369  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.999   1.837   2.362  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.256  -0.031   1.056  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.864  -0.258  -0.394  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        2.383  -1.957  -1.199  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1        4.831   0.433  -0.008  0.00  0.00    -0.297 N 
ATOM     22  H   LIG    1        4.990   0.803  -0.934  0.00  0.00    +0.150 HD
ATOM     23  C   LIG    1        4.127  -0.746   0.019  0.00  0.00    +0.300 C 
ATOM     24  N   LIG    1        3.298  -0.845  -1.068  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        2.981   0.036  -1.442  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1        4.230  -1.593   0.894  0.00  0.00    -0.253 OA
BRANCH  21  28
ATOM     27  C   LIG    1        7.147  -0.013   0.685  0.00  0.00    +0.027 C 
ATOM     28  C   LIG    1        5.846   0.724   0.995  0.00  0.00    +0.068 C 
ATOM     29  C   LIG    1        6.083   2.228   1.071  0.00  0.00    +0.027 C 
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4