REMARK  Name = BDB028414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.260   1.315  -0.366  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        1.933   0.240   0.238  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        3.049  -0.338  -0.382  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        3.492   0.164  -1.602  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.662  -0.450  -2.249  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        5.243  -1.498  -1.578  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        6.053  -1.933  -2.009  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.836  -2.010  -0.386  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        5.083  -0.041  -3.326  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        2.834   1.239  -2.210  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.801  -1.478   0.200  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        1.723   1.813  -1.591  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -2.927   2.006   2.232  0.00  0.00    +0.176 C 
ATOM     14  N   LIG    1       -1.744   2.205   1.429  0.00  0.00    -0.236 N 
ATOM     15  C   LIG    1       -0.909   1.237   0.926  0.00  0.00    +0.221 A 
ATOM     16  C   LIG    1        0.104   1.919   0.273  0.00  0.00    +0.063 A 
ATOM     17  C   LIG    1       -0.266   3.279   0.381  0.00  0.00    +0.146 A 
ATOM     18  N   LIG    1       -1.397   3.457   1.066  0.00  0.00    -0.176 NA
BRANCH  15  19
ATOM     19  O   LIG    1       -1.146  -0.061   1.139  0.00  0.00    -0.471 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -1.540  -0.798  -0.026  0.00  0.00    +0.267 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.034  -0.718  -0.230  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -3.942  -1.445   0.555  0.00  0.00    +0.047 A 
ATOM     23 CL   LIG    1       -3.414  -2.512   1.807  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -5.319  -1.318   0.349  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -5.807  -0.460  -0.635  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.918   0.276  -1.414  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.543   0.150  -1.213  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  28
ATOM     28  C   LIG    1        3.335  -2.049   1.544  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.186  -3.168   1.964  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1        4.195  -3.852   1.203  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1        5.152  -2.831   1.979  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 6