REMARK  Name = BDB028393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.583  -0.152  -0.800  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.546   0.336   0.095  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.352  -0.554   0.815  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.207  -1.925   0.617  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.077  -2.853   1.358  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -3.997  -2.278   2.200  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -4.607  -2.903   2.717  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.152  -0.946   2.431  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -2.978  -4.067   1.222  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.255  -2.419  -0.282  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.377  -0.115   1.795  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.443  -1.532  -0.988  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        3.322   2.449  -2.451  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1        1.998   1.918  -2.223  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1        1.637   0.877  -1.394  0.00  0.00    +0.079 A 
ATOM     16  C   LIG    1        0.258   0.779  -1.523  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -0.098   1.796  -2.431  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1        0.958   2.482  -2.869  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1        2.579   0.122  -0.556  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        3.369  -0.910  -1.097  0.00  0.00    +0.052 A 
ATOM     21 CL   LIG    1        3.294  -1.342  -2.773  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        4.253  -1.638  -0.292  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        4.362  -1.351   1.066  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        3.590  -0.334   1.621  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        2.705   0.397   0.820  0.00  0.00    +0.052 A 
ATOM     26 CL   LIG    1        1.800   1.656   1.594  0.00  0.00    -0.083 Cl
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  27
ATOM     27  C   LIG    1       -3.563   1.372   2.087  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.332   1.981   1.000  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -5.240   1.513   0.952  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -4.540   2.949   1.247  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 4