|
|
| Line 10: |
Line 10: |
| |moleculeKey=BZSVVCFHMVMYCR-UHFFFAOYSA-N | | |moleculeKey=BZSVVCFHMVMYCR-UHFFFAOYSA-N |
| |molOrRxn= | | |molOrRxn= |
| -INDIGO-01122313562D
| | |smiles= |
| | | |inchi= |
| 0 0 0 0 0 0 0 0 0 0 0 V3000
| |
| M V30 BEGIN CTAB
| |
| M V30 COUNTS 37 45 0 0 0
| |
| M V30 BEGIN ATOM
| |
| M V30 1 C 4.64702 -3.51052 0.0 0
| |
| M V30 2 C 6.27416 -3.77437 0.0 0
| |
| M V30 3 C 5.42497 -3.15907 0.0 0
| |
| M V30 4 N 6.06766 -4.87614 0.0 0
| |
| M V30 5 C 4.56021 -4.26388 0.0 0
| |
| M V30 6 C 5.16664 -4.90267 0.0 0
| |
| M V30 7 C 3.43886 -5.36601 0.0 0
| |
| M V30 8 C 4.87896 -5.36529 0.0 0
| |
| M V30 9 C 4.1013 -5.0306 0.0 0
| |
| M V30 10 N 5.15229 -6.24817 0.0 0
| |
| M V30 11 C 3.37145 -6.21125 0.0 0
| |
| M V30 12 C 4.24098 -6.80462 0.0 0
| |
| M V30 13 C 7.38788 -4.27932 0.0 0
| |
| M V30 14 C 8.93207 -4.02652 0.0 0
| |
| M V30 15 C 8.18659 -3.71263 0.0 0
| |
| M V30 16 C 9.06186 -4.74405 0.0 0
| |
| M V30 17 N 7.54797 -5.23295 0.0 0
| |
| M V30 18 C 8.5593 -5.32363 0.0 0
| |
| M V30 19 C 8.94252 -5.82375 0.0 0
| |
| M V30 20 C 10.4895 -5.73777 0.0 0
| |
| M V30 21 C 9.79869 -5.4369 0.0 0
| |
| M V30 22 C 10.5869 -6.56002 0.0 0
| |
| M V30 23 N 8.68604 -6.53412 0.0 0
| |
| M V30 24 C 9.73239 -7.1522 0.0 0
| |
| M V30 25 C 4.61702 -8.12194 0.0 0
| |
| M V30 26 C 6.27773 -8.41503 0.0 0
| |
| M V30 27 N 5.75308 -7.70609 0.0 0
| |
| M V30 28 C 6.10642 -9.29956 0.0 0
| |
| M V30 29 C 4.61375 -9.27183 0.0 0
| |
| M V30 30 C 5.43421 -9.70653 0.0 0
| |
| M V30 31 C 6.85925 -8.42236 0.0 0
| |
| M V30 32 C 8.49494 -8.03645 0.0 0
| |
| M V30 33 N 7.4669 -7.64965 0.0 0
| |
| M V30 34 C 8.56326 -9.14594 0.0 0
| |
| M V30 35 C 7.05993 -9.29907 0.0 0
| |
| M V30 36 C 7.79269 -9.65279 0.0 0
| |
| M V30 37 Ru 6.78229 -6.42071 0.0 0
| |
| M V30 END ATOM
| |
| M V30 BEGIN BOND
| |
| M V30 1 2 3 1
| |
| M V30 2 2 4 2
| |
| M V30 3 1 1 5
| |
| M V30 4 1 2 3
| |
| M V30 5 2 5 6
| |
| M V30 6 1 6 4
| |
| M V30 7 2 9 7
| |
| M V30 8 2 10 8
| |
| M V30 9 1 7 11
| |
| M V30 10 1 8 9
| |
| M V30 11 2 11 12
| |
| M V30 12 1 12 10
| |
| M V30 13 2 15 13
| |
| M V30 14 2 16 14
| |
| M V30 15 1 13 17
| |
| M V30 16 1 14 15
| |
| M V30 17 2 17 18
| |
| M V30 18 1 18 16
| |
| M V30 19 2 21 19
| |
| M V30 20 2 22 20
| |
| M V30 21 1 19 23
| |
| M V30 22 1 20 21
| |
| M V30 23 2 23 24
| |
| M V30 24 1 24 22
| |
| M V30 25 2 27 25
| |
| M V30 26 2 28 26
| |
| M V30 27 1 25 29
| |
| M V30 28 1 26 27
| |
| M V30 29 2 29 30
| |
| M V30 30 1 30 28
| |
| M V30 31 2 33 31
| |
| M V30 32 2 34 32
| |
| M V30 33 1 31 35
| |
| M V30 34 1 32 33
| |
| M V30 35 2 35 36
| |
| M V30 36 1 36 34
| |
| M V30 37 1 6 8
| |
| M V30 38 1 18 19
| |
| M V30 39 1 26 31
| |
| M V30 40 10 4 37
| |
| M V30 41 10 10 37
| |
| M V30 42 10 27 37
| |
| M V30 43 10 33 37
| |
| M V30 44 10 23 37
| |
| M V30 45 10 17 37
| |
| M V30 END BOND
| |
| M V30 END CTAB
| |
| M END
| |
| |smiles=C1C=C2C3C=CC=CN=3[Ru]3(N4=C(C5N3=CC=CC=5)C=CC=C4)3(N4C=CC=CC=4C4N3=CC=CC=4)N2=CC=1 | |
| |inchi=1S/3C10H8N2.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-8H; | |
| |inchikey=BZSVVCFHMVMYCR-UHFFFAOYSA-N | | |inchikey=BZSVVCFHMVMYCR-UHFFFAOYSA-N |
| |width=300px | | |width=300px |
molecule
