7GE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.37Å | 1.30Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.20Å | Aromatic |
| C13 | C08 | doub | 1.41Å | 0.99Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.50Å | Aromatic |
| C13 | N14 | sing | 1.37Å | 1.38Å | Aromatic |
| RU2 | N06 | sing | 2.04Å | 2.14Å | |
| N06 | C07 | doub | 1.30Å | 1.16Å | Aromatic |
| N06 | N14 | sing | 1.40Å | 1.13Å | Aromatic |
| C07 | C08 | sing | 1.46Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.40Å | 1.49Å | Aromatic |
| C11 | C12 | doub | 1.37Å | 1.30Å | Aromatic |
| RU2 | CL5 | sing | 2.42Å | 2.69Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C09 | H91 | sing | 1.08Å | 1.08Å | |
| C11 | H31 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| RU2 | CL3 | sing | 2.42Å | 2.70Å | |
| RU2 | CL4 | sing | 2.42Å | 2.65Å | |
| RU2 | CL1 | sing | 2.42Å | 2.67Å | |
| RU2 | CL2 | sing | 2.42Å | 42.61Å | |
| C07 | H1 | sing | 1.08Å | 1.08Å | |
| N14 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 119.8° | 120.6° |
| C10 | C09 | C08 | 119.8° | 119.6° |
| C09 | C10 | H11 | 120.1° | 119.7° |
| C10 | C09 | H91 | 120.1° | 120.2° |
| C10 | C11 | C12 | 119.8° | 120.9° |
| C11 | C10 | H11 | 120.1° | 119.7° |
| C10 | C11 | H31 | 120.1° | 119.6° |
| C08 | C13 | C12 | 119.6° | 119.4° |
| C08 | C13 | N14 | 107.8° | 106.7° |
| C13 | C08 | C07 | 107.5° | 106.3° |
| C13 | C08 | C09 | 120.7° | 119.6° |
| C12 | C13 | N14 | 132.5° | 133.9° |
| C13 | C12 | C11 | 120.2° | 119.8° |
| C13 | C12 | H21 | 119.9° | 120.0° |
| C13 | N14 | N06 | 100.1° | 109.1° |
| C13 | N14 | H2 | 129.9° | 125.4° |
| RU2 | N06 | C07 | 96.2° | 125.0° |
| RU2 | N06 | N14 | 103.7° | 125.0° |
| N06 | RU2 | CL5 | 138.2° | 180.0° |
| N06 | RU2 | CL3 | 109.7° | 90.0° |
| N06 | RU2 | CL4 | 86.1° | 90.0° |
| N06 | RU2 | CL1 | 78.3° | 90.0° |
| N06 | RU2 | CL2 | 106.7° | 90.0° |
| C07 | N06 | N14 | 106.1° | 110.1° |
| N06 | C07 | C08 | 99.0° | 107.8° |
| N06 | C07 | H1 | 130.5° | 126.1° |
| N06 | N14 | H2 | 130.0° | 125.4° |
| C07 | C08 | C09 | 131.7° | 134.1° |
| C08 | C07 | H1 | 130.5° | 126.1° |
| C08 | C09 | H91 | 120.1° | 120.2° |
| C12 | C11 | H31 | 120.1° | 119.6° |
| C11 | C12 | H21 | 119.9° | 120.1° |
| CL5 | RU2 | CL3 | 111.7° | 90.0° |
| CL5 | RU2 | CL4 | 86.9° | 90.0° |
| CL5 | RU2 | CL1 | 85.9° | 90.0° |
| CL5 | RU2 | CL2 | 96.3° | 90.0° |
| CL3 | RU2 | CL4 | 108.1° | 180.0° |
| CL3 | RU2 | CL1 | 104.2° | 90.0° |
| CL3 | RU2 | CL2 | 64.5° | 90.0° |
| CL4 | RU2 | CL1 | 147.2° | 90.0° |
| CL4 | RU2 | CL2 | 44.2° | 90.0° |
| CL1 | RU2 | CL2 | 168.6° | 180.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H11 | 180.0° | 179.6° |
| C10 | C09 | C08 | C13 | 1.6° | 0.1° |
| C10 | C09 | C08 | C07 | 177.3° | 180.0° |
| C10 | C09 | C08 | H91 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 0.4° | 0.0° |
| C09 | C10 | C11 | H31 | 179.6° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C11 | C10 | C09 | C08 | 1.2° | 0.0° |
| C10 | C11 | C12 | H31 | 180.0° | 180.0° |
| C11 | C10 | C09 | H91 | 178.8° | 180.0° |
| C10 | C11 | C12 | H21 | 179.8° | 180.0° |
| C08 | C13 | C12 | N14 | 179.5° | 179.8° |
| C13 | C08 | C07 | N06 | 23.2° | 0.0° |
| C08 | C13 | N14 | N06 | 27.4° | 0.1° |
| C13 | C08 | C07 | C09 | 176.1° | 180.0° |
| C08 | C13 | C12 | C11 | 0.2° | 0.0° |
| C13 | C08 | C09 | H91 | 178.4° | 180.0° |
| C08 | C13 | C12 | H21 | 179.8° | 180.0° |
| C13 | C08 | C07 | H1 | 156.8° | 179.9° |
| C08 | C13 | N14 | H2 | 152.7° | 180.0° |
| C12 | C13 | N14 | N06 | 152.2° | 179.9° |
| C12 | C13 | C08 | C07 | 177.7° | 179.9° |
| C12 | C13 | C08 | C09 | 1.0° | 0.1° |
| C13 | C12 | C11 | H21 | 180.0° | 180.0° |
| C13 | C12 | C11 | H31 | 179.8° | 180.0° |
| C12 | C13 | N14 | H2 | 27.8° | 0.2° |
| C13 | N14 | N06 | RU2 | 144.1° | 180.0° |
| C13 | N14 | N06 | C07 | 43.3° | 0.0° |
| C13 | N14 | N06 | H2 | 180.0° | 179.9° |
| N14 | C13 | C08 | C07 | 2.0° | 0.1° |
| N14 | C13 | C08 | C09 | 178.6° | 180.0° |
| N14 | C13 | C12 | C11 | 179.3° | 179.9° |
| N14 | C13 | C12 | H21 | 0.7° | 0.1° |
| RU2 | N06 | C07 | N14 | 106.3° | 180.0° |
| RU2 | N06 | C07 | C08 | 148.1° | 180.0° |
| N06 | RU2 | CL5 | CL3 | 171.1° | 45.0° |
| N06 | RU2 | CL5 | CL4 | 80.7° | 135.0° |
| N06 | RU2 | CL5 | CL1 | 67.3° | 135.0° |
| N06 | RU2 | CL5 | CL2 | 123.9° | 45.0° |
| N06 | RU2 | CL3 | CL4 | 92.3° | 145.7° |
| N06 | RU2 | CL3 | CL1 | 82.4° | 90.0° |
| N06 | RU2 | CL3 | CL2 | 99.7° | 90.0° |
| N06 | RU2 | CL4 | CL1 | 61.2° | 90.0° |
| N06 | RU2 | CL4 | CL2 | 118.9° | 90.0° |
| N06 | RU2 | CL1 | CL2 | 117.1° | 145.7° |
| RU2 | N06 | C07 | H1 | 31.9° | 0.1° |
| RU2 | N06 | N14 | H2 | 36.0° | 0.1° |
| N06 | C07 | C08 | H1 | 180.0° | 179.9° |
| N06 | C07 | C08 | C09 | 152.9° | 180.0° |
| C07 | N06 | RU2 | CL5 | 138.7° | 180.0° |
| C07 | N06 | RU2 | CL3 | 32.5° | 135.0° |
| C07 | N06 | RU2 | CL4 | 140.3° | 45.0° |
| C07 | N06 | RU2 | CL1 | 68.7° | 45.0° |
| C07 | N06 | RU2 | CL2 | 100.8° | 135.0° |
| C07 | N06 | N14 | H2 | 136.7° | 179.9° |
| N14 | N06 | C07 | C08 | 41.9° | 0.0° |
| N14 | N06 | RU2 | CL5 | 113.0° | 0.0° |
| N14 | N06 | RU2 | CL3 | 75.8° | 45.0° |
| N14 | N06 | RU2 | CL4 | 32.1° | 135.0° |
| N14 | N06 | RU2 | CL1 | 176.9° | 135.0° |
| N14 | N06 | RU2 | CL2 | 7.5° | 45.0° |
| N14 | N06 | C07 | H1 | 138.1° | 179.9° |
| C07 | C08 | C09 | H91 | 2.6° | 0.0° |
| C08 | C09 | C10 | H11 | 178.8° | 179.7° |
| C09 | C08 | C07 | H1 | 27.1° | 0.1° |
| C12 | C11 | C10 | H11 | 179.6° | 179.6° |
| CL5 | RU2 | CL3 | CL4 | 94.0° | 34.2° |
| CL5 | RU2 | CL3 | CL1 | 91.3° | 90.0° |
| CL5 | RU2 | CL3 | CL2 | 86.7° | 90.0° |
| CL5 | RU2 | CL4 | CL1 | 77.6° | 90.0° |
| CL5 | RU2 | CL4 | CL2 | 102.4° | 90.0° |
| CL5 | RU2 | CL1 | CL2 | 101.9° | 34.3° |
| H11 | C10 | C09 | H91 | 1.2° | 0.4° |
| H11 | C10 | C11 | H31 | 0.3° | 0.3° |
| H31 | C11 | C12 | H21 | 0.2° | 0.0° |
| CL3 | RU2 | CL4 | CL1 | 170.6° | 124.2° |
| CL3 | RU2 | CL4 | CL2 | 9.5° | 55.7° |
| CL3 | RU2 | CL1 | CL2 | 9.5° | 55.7° |
| CL4 | RU2 | CL1 | CL2 | 179.7° | 124.2° |
