REMARK  Name = BDB013148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.264  -0.260  -0.388  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -0.830   0.797   0.331  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -2.184   0.988   0.444  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1       -2.413   2.062   1.172  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -1.193   2.603   1.519  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -3.023   0.054  -0.217  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.403  -0.914  -0.927  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -0.259   1.843   0.993  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1       -1.037  -1.093  -1.032  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.499   0.110  -0.205  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -5.297  -0.806   0.505  0.00  0.00    +0.050 A 
ATOM     12 CL   LIG    1       -4.607  -2.081   1.450  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1       -6.691  -0.705   0.479  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -7.296   0.315  -0.251  0.00  0.00    +0.042 A 
ATOM     15 CL   LIG    1       -9.012   0.439  -0.285  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1       -6.524   1.237  -0.953  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1       -5.130   1.136  -0.928  0.00  0.00    +0.011 A 
ENDBRANCH   6  10
BRANCH   1  18
ATOM     18  N   LIG    1        1.104  -0.423  -0.454  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        1.283  -1.113  -1.185  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.826  -0.860   0.742  0.00  0.00    +0.143 C 
BRANCH  20  23
ATOM     21  F   LIG    1        3.078  -3.391   0.910  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        3.838  -2.361   0.510  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1        3.274  -1.082   0.411  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.120  -0.056  -0.002  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        3.834   1.376  -0.265  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.266   1.900  -0.383  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.143   0.803  -0.724  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        5.451  -0.307  -0.314  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.003  -1.569  -0.233  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        5.180  -2.610   0.193  0.00  0.00    +0.042 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4