1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38
|
ferrocene
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 13 12 0 0 0
M V30 BEGIN ATOM
M V30 1 C -34.237900 13.261800 0.000000 0 CHG=-1
M V30 2 C -35.057400 14.266900 0.000000 0
M V30 3 C -37.855700 14.284400 0.000000 0
M V30 4 C -38.759100 13.293300 0.000000 0
M V30 5 C -36.552000 12.683200 0.000000 0
M V30 6 C -34.152900 8.363300 0.000000 0 CHG=-1
M V30 7 C -34.972400 9.368400 0.000000 0
M V30 8 C -37.770600 9.385900 0.000000 0
M V30 9 C -38.674100 8.394800 0.000000 0
M V30 10 C -36.450300 7.767900 0.000000 0
M V30 11 Fe -36.435100 10.904500 0.000000 0 CHG=2
M V30 12 * -36.522400 13.604600 0.000000 0
M V30 13 * -36.404100 8.656100 0.000000 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 9 12 11 ENDPTS=(5 2 3 4 5 1) ATTACH=ALL
M V30 2 1 1 5
M V30 3 2 4 5
M V30 4 1 4 3
M V30 5 2 2 3
M V30 6 1 1 2
M V30 7 1 6 10
M V30 8 2 9 10
M V30 9 1 9 8
M V30 10 2 7 8
M V30 11 1 6 7
M V30 12 9 13 11 ENDPTS=(5 7 8 9 10 6) ATTACH=ALL
M V30 END BOND
M V30 END CTAB
M END
$$$$
|