REMARK  Name = BDB046070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.054   0.305   0.102  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -3.083  -0.611  -0.105  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -2.927  -2.050  -0.276  0.00  0.00    +0.273 A 
ATOM      4  N   LIG    1       -4.059  -2.767  -0.620  0.00  0.00    -0.263 N 
ATOM      5  H   LIG    1       -3.808  -3.743  -0.760  0.00  0.00    +0.190 HD
ATOM      6  N   LIG    1       -5.264  -2.601   0.112  0.00  0.00    -0.263 N 
ATOM      7  H   LIG    1       -5.773  -3.476   0.232  0.00  0.00    +0.190 HD
ATOM      8  C   LIG    1       -6.149  -1.597  -0.228  0.00  0.00    +0.271 A 
ATOM      9  C   LIG    1       -5.667  -0.202  -0.338  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1       -6.622   0.821  -0.484  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1       -6.232   2.150  -0.453  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -7.160   3.107  -0.585  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.904   2.521  -0.263  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -3.965   1.492  -0.130  0.00  0.00    +0.051 A 
ATOM     15  O   LIG    1       -7.348  -1.853  -0.315  0.00  0.00    -0.266 OA
ATOM     16  O   LIG    1       -1.848  -2.638  -0.239  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -4.304   0.138  -0.191  0.00  0.00    +0.025 A 
ATOM     18  N   LIG    1       -2.612   1.561   0.079  0.00  0.00    -0.353 N 
ATOM     19  H   LIG    1       -2.083   2.419   0.165  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  23
ATOM     20  C   LIG    1        2.182  -0.086   0.551  0.00  0.00    -0.034 A 
ATOM     21  C   LIG    1        1.561  -0.416  -0.662  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        0.175  -0.303  -0.806  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -0.611   0.148   0.257  0.00  0.00    -0.001 A 
ATOM     24  C   LIG    1        0.006   0.489   1.466  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        1.392   0.374   1.612  0.00  0.00    +0.005 A 
BRANCH  20  26
ATOM     26  C   LIG    1        3.681  -0.211   0.697  0.00  0.00    +0.116 C 
BRANCH  26  27
ATOM     27  N   LIG    1        4.359   0.879  -0.005  0.00  0.00    -0.312 NA
ATOM     28  H   LIG    1        3.958   1.759   0.319  0.00  0.00    +0.122 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.802   0.899   0.238  0.00  0.00    +0.081 C 
BRANCH  29  31
ATOM     30  C   LIG    1        8.045  -0.128  -0.270  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1        6.539  -0.253  -0.449  0.00  0.00    +0.012 C 
ENDBRANCH  29  31
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH   1  23
TORSDOF 5