REMARK  Name = BDB028250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.539  -0.008  -0.602  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.539  -0.637   0.155  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.495   0.124   0.841  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.459   1.513   0.752  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.483   2.305   1.452  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.427   1.591   2.149  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.144   2.121   2.635  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.482   0.238   2.271  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        3.486   3.530   1.406  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        1.470   2.151  -0.004  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.573  -0.474   1.669  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.514   1.390  -0.678  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -3.704  -1.953  -2.352  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -2.316  -1.653  -2.083  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -1.817  -0.637  -1.295  0.00  0.00    +0.076 A 
ATOM     16  C   LIG    1       -0.438  -0.815  -1.312  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -0.230  -1.940  -2.141  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1       -1.366  -2.446  -2.617  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1       -2.658   0.332  -0.595  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.405   1.275  -1.312  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -4.202   2.203  -0.639  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -4.255   2.195   0.754  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.511   1.263   1.476  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.713   0.335   0.804  0.00  0.00    +0.010 A 
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  25
ATOM     25  C   LIG    1        3.651  -1.989   1.838  0.00  0.00    +0.136 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.222  -2.579   0.625  0.00  0.00    -0.325 NA
ATOM     27  H   LIG    1        4.374  -3.575   0.785  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1        5.154  -2.183   0.486  0.00  0.00    +0.119 HD
ENDBRANCH  25  26
ENDBRANCH  11  25
TORSDOF 4