File: ruthenium.mol

package info (click to toggle)
rdkit 202503.1-5
  • links: PTS, VCS
  • area: main
  • in suites: sid
  • size: 220,160 kB
  • sloc: cpp: 399,240; python: 77,453; ansic: 25,517; java: 8,173; javascript: 4,005; sql: 2,389; yacc: 1,565; lex: 1,263; cs: 1,081; makefile: 580; xml: 229; fortran: 183; sh: 105
file content (52 lines) | stat: -rw-r--r-- 1,498 bytes parent folder | download | duplicates (4)
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
39
40
41
42
43
44
45
46
47
48
49
50
51
52
ruthenium complex
  ChemDraw01122315502D

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -3.082527 -1.293173 0.000000 0
M  V30 2 C -3.082527 -2.182523 0.000000 0
M  V30 3 C -2.312327 -2.627198 0.000000 0
M  V30 4 C -1.542127 -2.182523 0.000000 0
M  V30 5 C -1.542127 -1.293173 0.000000 0
M  V30 6 C -2.312327 -0.848498 0.000000 0
M  V30 7 C 1.653585 2.214699 0.000000 0
M  V30 8 C 1.653585 1.389699 0.000000 0
M  V30 9 C 2.368057 0.977199 0.000000 0
M  V30 10 C 3.082527 1.389699 0.000000 0
M  V30 11 C 3.082527 2.214699 0.000000 0
M  V30 12 C 2.368057 2.627198 0.000000 0
M  V30 13 Ru -0.496529 -0.260303 0.000000 0 CHG=2
M  V30 14 Cl 0.217942 0.152197 0.000000 0 CHG=-1
M  V30 15 Ru 0.932414 -0.260303 0.000000 0 CHG=2
M  V30 16 Cl 0.349052 -0.843666 0.000000 0 CHG=-1
M  V30 17 Cl -1.079891 0.323060 0.000000 0 CHG=-1
M  V30 18 Cl 1.646885 -0.672803 0.000000 0 CHG=-1
M  V30 19 * -2.312325 -1.737846 0.000000 0
M  V30 20 * 2.368053 1.802196 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 2 7 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 12 7
M  V30 13 9 14 13
M  V30 14 9 14 15
M  V30 15 9 16 15
M  V30 16 9 16 13
M  V30 17 9 17 13
M  V30 18 9 18 15
M  V30 19 9 19 13 ENDPTS=(6 3 2 4 5 6 1) ATTACH=ALL
M  V30 20 9 20 15 ENDPTS=(6 12 7 8 9 10 11) ATTACH=ALL
M  V30 END BOND
M  V30 END CTAB
M  END