REMARK  Name = BDB028335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.261  -1.540   0.824  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        1.052  -0.602   0.140  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        1.590   0.500   0.815  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        1.357   0.638   2.182  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        1.934   1.786   2.899  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        2.715   2.633   2.155  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        3.123   3.430   2.633  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        2.960   2.533   0.821  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        1.732   1.959   4.096  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        0.591  -0.306   2.878  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        2.416   1.548   0.160  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.045  -1.395   2.199  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -2.121  -4.293  -2.552  0.00  0.00    +0.176 C 
ATOM     14  N   LIG    1       -1.376  -3.854  -1.397  0.00  0.00    -0.236 N 
ATOM     15  C   LIG    1       -1.109  -2.558  -1.027  0.00  0.00    +0.221 A 
ATOM     16  C   LIG    1       -0.328  -2.654   0.112  0.00  0.00    +0.063 A 
ATOM     17  C   LIG    1       -0.262  -4.039   0.382  0.00  0.00    +0.146 A 
ATOM     18  N   LIG    1       -0.911  -4.772  -0.525  0.00  0.00    -0.176 NA
BRANCH  15  19
ATOM     19  O   LIG    1       -1.562  -1.527  -1.747  0.00  0.00    -0.471 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.546  -0.718  -1.082  0.00  0.00    +0.266 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.010   0.659  -0.775  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1       -2.211   1.232   0.490  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -1.706   2.500   0.783  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -1.005   3.212  -0.187  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -0.819   2.664  -1.454  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -1.324   1.397  -1.750  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  27
ATOM     27  C   LIG    1        2.714   1.451  -1.342  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1        2.896   2.795  -1.907  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1        3.514   2.741  -2.714  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1        3.389   3.354  -1.203  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 6