REMARK  Name = BDB047077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.570   0.131   0.605  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.241   0.016   1.991  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        1.149  -0.083   2.035  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        1.858  -0.222   3.240  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.117  -0.254   4.424  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.268  -0.152   4.395  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -0.949  -0.186   5.549  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        1.548  -0.014   0.721  0.00  0.00    -0.259 N 
ATOM      9  C   LIG    1       -0.969  -0.018   3.198  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.528   0.103  -0.149  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.912  -0.081   0.215  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1        3.245   1.022  -0.805  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1        3.309   0.310  -2.149  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1        3.901  -1.043  -1.794  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1        3.202  -1.416  -0.493  0.00  0.00    +0.027 C 
ENDBRANCH   8  11
BRANCH   1  16
ATOM     16  N   LIG    1       -1.852   0.246   0.182  0.00  0.00    -0.296 N 
ATOM     17  H   LIG    1       -2.577   0.248   0.904  0.00  0.00    +0.154 HD
BRANCH  16  19
ATOM     18  C   LIG    1       -3.807   0.477  -1.305  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1       -2.411   0.370  -1.112  0.00  0.00    +0.065 A 
ATOM     20  C   LIG    1       -1.648   0.397  -2.280  0.00  0.00    +0.134 A 
ATOM     21  N   LIG    1       -2.145   0.514  -3.541  0.00  0.00    -0.261 NA
ATOM     22  C   LIG    1       -3.479   0.612  -3.668  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -4.344   0.599  -2.594  0.00  0.00    +0.036 A 
BRANCH  18  25
ATOM     24  O   LIG    1       -4.374   0.361   1.033  0.00  0.00    -0.245 OA
ATOM     25  C   LIG    1       -4.720   0.461  -0.133  0.00  0.00    +0.339 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -6.019   0.569  -0.462  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -6.494   0.544   0.395  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5