REMARK  Name = BDB028430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.959  -2.022   1.940  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -2.575  -2.211   1.567  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -1.784  -1.368   0.812  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.563  -2.022   0.712  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -0.729  -3.224   1.430  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -1.942  -3.327   1.972  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.591  -1.534  -0.014  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        1.207  -0.330   0.359  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.317   0.142  -0.354  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.808  -0.595  -1.430  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.974  -0.090  -2.172  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        4.498   1.101  -1.735  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        5.305   1.464  -2.236  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        4.042   1.845  -0.692  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        4.441  -0.706  -3.123  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        2.202  -1.800  -1.802  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        3.012   1.411  -0.024  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        1.095  -2.269  -1.093  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        2.487   2.242   1.152  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.274   3.468   1.326  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        3.272   3.967   0.433  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        4.255   3.194   1.431  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1       -2.239  -0.096   0.248  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -2.496   0.066  -1.126  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -2.905   1.315  -1.617  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1       -3.057   2.402  -0.751  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1       -3.563   3.905  -1.433  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1       -2.802   2.246   0.614  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1       -2.965   3.542   1.743  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       -2.395   1.003   1.109  0.00  0.00    +0.032 A 
BRANCH  24  31
ATOM     31  C   LIG    1       -2.361  -1.022  -2.055  0.00  0.00    +0.100 C 
ATOM     32  N   LIG    1       -2.260  -1.887  -2.821  0.00  0.00    -0.191 NA
ENDBRANCH  24  31
ENDBRANCH   3  23
TORSDOF 5