REMARK  Name = BDB028374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.208  -0.619  -2.076  0.00  0.00    +0.077 A 
ATOM      2  N   LIG    1        0.364  -0.465  -3.438  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        1.603  -0.364  -4.176  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -0.799  -0.388  -4.113  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -1.726  -0.446  -3.156  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -1.165  -0.605  -1.872  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.821  -0.686  -0.583  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -2.610   0.385  -0.142  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.221   0.338   1.117  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.066  -0.794   1.912  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.739  -0.851   3.219  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -4.497   0.243   3.558  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -4.970   0.222   4.456  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -4.647   1.375   2.819  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -3.627  -1.827   3.953  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.287  -1.872   1.474  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -4.041   1.446   1.668  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.662  -1.815   0.228  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -4.208   2.736   0.869  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -5.228   2.528  -0.162  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -6.107   2.294   0.304  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -5.399   3.416  -0.634  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  25
ATOM     23  C   LIG    1        2.723   0.126   0.694  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        1.647   0.295  -0.214  0.00  0.00    +0.068 A 
ATOM     25  C   LIG    1        1.322  -0.729  -1.127  0.00  0.00    +0.018 A 
ATOM     26  C   LIG    1        2.072  -1.911  -1.127  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        3.141  -2.078  -0.246  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        3.476  -1.069   0.660  0.00  0.00    +0.125 A 
BRANCH  23  30
ATOM     29  C   LIG    1        4.129   2.179   1.098  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1        3.099   1.221   1.679  0.00  0.00    +0.037 C 
ENDBRANCH  23  30
BRANCH  24  31
ATOM     31  C   LIG    1        0.889   1.520  -0.215  0.00  0.00    +0.100 C 
ATOM     32  N   LIG    1        0.283   2.511  -0.199  0.00  0.00    -0.191 NA
ENDBRANCH  24  31
BRANCH  28  33
ATOM     33  O   LIG    1        4.518  -1.146   1.547  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1        5.275  -2.349   1.582  0.00  0.00    +0.277 C 
ENDBRANCH  28  33
ENDBRANCH   1  25
TORSDOF 7