REMARK  Name = BDB016905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.197   0.526   0.090  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        4.760   0.261   0.339  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1        3.845   0.150  -0.699  0.00  0.00    -0.343 N 
ATOM      4  H   LIG    1        4.048   0.253  -1.686  0.00  0.00    +0.167 HD
ATOM      5  C   LIG    1        2.654  -0.085  -0.106  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        1.252  -0.287  -0.483  0.00  0.00    +0.161 C 
ATOM      7  N   LIG    1        0.636  -0.441   0.886  0.00  0.00    -0.252 N 
ATOM      8  C   LIG    1        1.624  -0.323   1.925  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1        1.496  -0.409   3.135  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1        2.870  -0.098   1.231  0.00  0.00    +0.149 A 
ATOM     11  N   LIG    1        4.178   0.109   1.523  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -0.716  -0.740   1.076  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -1.539  -1.059   0.054  0.00  0.00    +0.118 A 
ATOM     14  N   LIG    1       -2.880  -1.347   0.293  0.00  0.00    -0.280 N 
ATOM     15  C   LIG    1       -3.455  -1.331   1.549  0.00  0.00    +0.164 A 
ATOM     16  N   LIG    1       -4.728  -1.648   1.455  0.00  0.00    -0.129 NA
ATOM     17  N   LIG    1       -5.010  -1.877   0.130  0.00  0.00    -0.128 NA
ATOM     18  C   LIG    1       -2.628  -0.990   2.664  0.00  0.00    -0.004 A 
ATOM     19  C   LIG    1       -3.162  -0.929   4.072  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -3.901  -1.695  -0.561  0.00  0.00    +0.204 A 
ATOM     21  C   LIG    1       -1.324  -0.711   2.415  0.00  0.00    +0.032 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -3.726  -1.832  -2.018  0.00  0.00    +0.408 C 
ATOM     23  F   LIG    1       -2.776  -2.764  -2.311  0.00  0.00    -0.201 F 
ATOM     24  F   LIG    1       -3.277  -0.671  -2.571  0.00  0.00    -0.201 F 
ENDBRANCH  20  22
ENDBRANCH   7  12
BRANCH   6  25
ATOM     25  C   LIG    1        0.706   0.876  -1.293  0.00  0.00    -0.021 A 
ATOM     26  C   LIG    1        0.462   0.710  -2.668  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -0.033   1.767  -3.436  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.281   3.002  -2.840  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -0.888   4.301  -3.789  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -0.036   3.189  -1.483  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        0.458   2.133  -0.713  0.00  0.00    +0.007 A 
ENDBRANCH   6  25
TORSDOF 3