REMARK  Name = BDB028290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.597   1.128  -0.018  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.992  -0.146  -0.483  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.861  -1.188  -0.785  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.365  -2.416  -1.234  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.987  -2.599  -1.375  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.085  -1.567  -1.067  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -5.309  -0.991  -0.614  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -6.110  -1.881  -0.874  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.700   0.240  -0.147  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.696   0.394  -0.020  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.610  -0.339  -0.619  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -4.880   1.286   0.144  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.368  -1.761  -1.199  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        1.257  -1.398  -0.178  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        2.639  -1.572  -0.330  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1        3.085  -2.127  -1.523  0.00  0.00    +0.114 A 
ATOM     17  N   LIG    1        2.271  -2.500  -2.534  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        0.943  -2.305  -2.348  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  C   LIG    1        3.606  -1.176   0.755  0.00  0.00    +0.071 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.658   0.314   1.008  0.00  0.00    -0.043 A 
ATOM     21  C   LIG    1        4.259   1.173   0.076  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        4.300   2.550   0.306  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.740   3.081   1.466  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.138   2.237   2.397  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.097   0.860   2.170  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  26
ATOM     26  C   LIG    1       -2.703   2.322   0.304  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.087   2.120   1.618  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1       -2.835   2.049   2.311  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1       -1.565   2.960   1.867  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 5