I7X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N34 | C33 | sing | 1.34Å | 1.32Å | Aromatic |
| N34 | C35 | doub | 1.30Å | 1.32Å | Aromatic |
| C33 | C32 | doub | 1.35Å | 1.39Å | Aromatic |
| C35 | N31 | sing | 1.35Å | 1.32Å | Aromatic |
| C32 | N31 | sing | 1.37Å | 1.32Å | Aromatic |
| N31 | C30 | sing | 1.46Å | 1.45Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C01 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| O26 | C02 | doub | 1.21Å | 1.18Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C27 | H4 | sing | 1.09Å | 1.10Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C29 | H8 | sing | 1.09Å | 1.10Å | |
| C29 | H9 | sing | 1.09Å | 1.10Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.08Å | 1.08Å | |
| C33 | H13 | sing | 1.08Å | 1.08Å | |
| C35 | H14 | sing | 1.08Å | 1.08Å | |
| C02 | OXT | sing | 1.34Å | 1.45Å | |
| OXT | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | N34 | C35 | 108.6° | 109.2° |
| N34 | C33 | C32 | 106.8° | 108.1° |
| N34 | C33 | H13 | 126.6° | 126.0° |
| N34 | C35 | N31 | 109.3° | 108.7° |
| N34 | C35 | H14 | 125.3° | 125.6° |
| C33 | C32 | N31 | 106.8° | 106.8° |
| C33 | C32 | H12 | 126.6° | 126.5° |
| C32 | C33 | H13 | 126.6° | 126.0° |
| C35 | N31 | C32 | 108.4° | 107.2° |
| C35 | N31 | C30 | 125.4° | 126.4° |
| N31 | C35 | H14 | 125.3° | 125.6° |
| C32 | N31 | C30 | 126.1° | 126.4° |
| N31 | C32 | H12 | 126.6° | 126.7° |
| N31 | C30 | C29 | 110.5° | 109.5° |
| N31 | C30 | H10 | 109.2° | 109.5° |
| N31 | C30 | H11 | 109.2° | 109.5° |
| C30 | C29 | C28 | 112.6° | 109.5° |
| C30 | C29 | H8 | 108.7° | 109.5° |
| C30 | C29 | H9 | 108.7° | 109.5° |
| C29 | C30 | H10 | 109.2° | 109.5° |
| C29 | C30 | H11 | 109.2° | 109.5° |
| C29 | C28 | C27 | 111.3° | 109.5° |
| C29 | C28 | H6 | 109.0° | 109.4° |
| C29 | C28 | H7 | 109.0° | 109.4° |
| C28 | C29 | H8 | 108.7° | 109.5° |
| C28 | C29 | H9 | 108.7° | 109.4° |
| C28 | C27 | C01 | 113.9° | 109.4° |
| C28 | C27 | H4 | 108.4° | 109.5° |
| C28 | C27 | H5 | 108.4° | 109.5° |
| C27 | C28 | H6 | 109.0° | 109.5° |
| C27 | C28 | H7 | 109.0° | 109.5° |
| C27 | C01 | C02 | 106.9° | 109.5° |
| C27 | C01 | H1 | 110.1° | 109.5° |
| C27 | C01 | H2 | 110.1° | 109.5° |
| C01 | C27 | H4 | 108.4° | 109.5° |
| C01 | C27 | H5 | 108.4° | 109.5° |
| C01 | C02 | O26 | 119.9° | 120.0° |
| C02 | C01 | H1 | 110.1° | 109.5° |
| C02 | C01 | H2 | 110.1° | 109.4° |
| C01 | C02 | OXT | 118.4° | 120.0° |
| O26 | C02 | OXT | 121.7° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H4 | C27 | H5 | 109.5° | 109.5° |
| H6 | C28 | H7 | 109.5° | 109.5° |
| H8 | C29 | H9 | 109.5° | 109.4° |
| H10 | C30 | H11 | 109.4° | 109.4° |
| C02 | OXT | H3 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N34 | C33 | C32 | H13 | 180.0° | 180.0° |
| C33 | N34 | C35 | N31 | 0.1° | 0.3° |
| N34 | C33 | C32 | N31 | 0.5° | 0.0° |
| N34 | C33 | C32 | H12 | 179.5° | 179.8° |
| C33 | N34 | C35 | H14 | 179.9° | 180.0° |
| C35 | N34 | C33 | C32 | 0.2° | 0.2° |
| N34 | C35 | N31 | H14 | 180.0° | 179.6° |
| N34 | C35 | N31 | C32 | 0.4° | 0.3° |
| N34 | C35 | N31 | C30 | 179.3° | 179.6° |
| C35 | N34 | C33 | H13 | 179.8° | 179.8° |
| C33 | C32 | N31 | C35 | 0.6° | 0.2° |
| C33 | C32 | N31 | H12 | 180.0° | 179.8° |
| C33 | C32 | N31 | C30 | 179.5° | 179.7° |
| C35 | N31 | C32 | C30 | 178.9° | 179.9° |
| C35 | N31 | C30 | C29 | 139.4° | 90.1° |
| C35 | N31 | C30 | H10 | 19.3° | 149.9° |
| C35 | N31 | C30 | H11 | 100.4° | 29.9° |
| C35 | N31 | C32 | H12 | 179.4° | 180.0° |
| C32 | N31 | C30 | C29 | 41.8° | 90.0° |
| C32 | N31 | C30 | H10 | 162.0° | 30.0° |
| C32 | N31 | C30 | H11 | 78.3° | 150.0° |
| N31 | C32 | C33 | H13 | 179.5° | 180.0° |
| C32 | N31 | C35 | H14 | 179.6° | 180.0° |
| N31 | C30 | C29 | H10 | 120.1° | 120.0° |
| N31 | C30 | C29 | H11 | 120.2° | 120.1° |
| N31 | C30 | C29 | C28 | 61.6° | 180.0° |
| N31 | C30 | C29 | H8 | 177.9° | 60.0° |
| N31 | C30 | C29 | H9 | 58.9° | 60.0° |
| N31 | C30 | H10 | H11 | 119.5° | 120.0° |
| C30 | N31 | C32 | H12 | 0.5° | 0.0° |
| C30 | N31 | C35 | H14 | 0.7° | 0.1° |
| C30 | C29 | C28 | H8 | 120.5° | 120.0° |
| C30 | C29 | C28 | H9 | 120.5° | 120.1° |
| C30 | C29 | C28 | C27 | 179.0° | 180.0° |
| C30 | C29 | C28 | H6 | 58.8° | 60.0° |
| C30 | C29 | C28 | H7 | 60.7° | 60.0° |
| C30 | C29 | H8 | H9 | 118.6° | 120.0° |
| C29 | C30 | H10 | H11 | 119.5° | 120.0° |
| C29 | C28 | C27 | H6 | 120.3° | 120.0° |
| C29 | C28 | C27 | H7 | 120.3° | 120.0° |
| C29 | C28 | C27 | C01 | 40.3° | 180.0° |
| C29 | C28 | C27 | H4 | 80.4° | 60.1° |
| C29 | C28 | C27 | H5 | 161.0° | 60.0° |
| C29 | C28 | H6 | H7 | 119.2° | 119.9° |
| C28 | C29 | H8 | H9 | 118.5° | 119.9° |
| C28 | C29 | C30 | H10 | 58.5° | 60.0° |
| C28 | C29 | C30 | H11 | 178.2° | 60.0° |
| C28 | C27 | C01 | H4 | 120.6° | 119.9° |
| C28 | C27 | C01 | H5 | 120.6° | 120.0° |
| C28 | C27 | C01 | C02 | 175.5° | 180.0° |
| C28 | C27 | C01 | H1 | 55.9° | 60.0° |
| C28 | C27 | C01 | H2 | 65.0° | 60.0° |
| C28 | C27 | H4 | H5 | 118.0° | 120.0° |
| C27 | C28 | H6 | H7 | 119.2° | 120.1° |
| C27 | C28 | C29 | H8 | 60.5° | 60.0° |
| C27 | C28 | C29 | H9 | 58.5° | 59.9° |
| C27 | C01 | C02 | H1 | 119.6° | 120.0° |
| C27 | C01 | C02 | H2 | 119.6° | 120.0° |
| C27 | C01 | C02 | O26 | 89.2° | 0.0° |
| C27 | C01 | H1 | H2 | 121.2° | 120.0° |
| C01 | C27 | H4 | H5 | 118.0° | 120.1° |
| C01 | C27 | C28 | H6 | 160.6° | 60.0° |
| C01 | C27 | C28 | H7 | 79.9° | 60.0° |
| C27 | C01 | C02 | OXT | 89.6° | 180.0° |
| C01 | C02 | O26 | OXT | 178.8° | 180.0° |
| C02 | C01 | H1 | H2 | 121.2° | 120.0° |
| C02 | C01 | C27 | H4 | 63.9° | 60.0° |
| C02 | C01 | C27 | H5 | 54.8° | 60.0° |
| C01 | C02 | OXT | H3 | 178.8° | 180.0° |
| O26 | C02 | C01 | H1 | 151.2° | 120.0° |
| O26 | C02 | C01 | H2 | 30.4° | 120.0° |
| O26 | C02 | OXT | H3 | 0.0° | 0.0° |
| H1 | C01 | C27 | H4 | 176.5° | 180.0° |
| H1 | C01 | C27 | H5 | 64.8° | 60.0° |
| H1 | C01 | C02 | OXT | 29.9° | 60.0° |
| H2 | C01 | C27 | H4 | 55.7° | 59.9° |
| H2 | C01 | C27 | H5 | 174.4° | 180.0° |
| H2 | C01 | C02 | OXT | 150.8° | 60.0° |
| H4 | C27 | C28 | H6 | 39.9° | 180.0° |
| H4 | C27 | C28 | H7 | 159.4° | 59.9° |
| H5 | C27 | C28 | H6 | 78.8° | 60.0° |
| H5 | C27 | C28 | H7 | 40.7° | 179.9° |
| H6 | C28 | C29 | H8 | 179.3° | 180.0° |
| H6 | C28 | C29 | H9 | 61.7° | 60.0° |
| H7 | C28 | C29 | H8 | 59.8° | 60.0° |
| H7 | C28 | C29 | H9 | 178.8° | 180.0° |
| H8 | C29 | C30 | H10 | 61.9° | 180.0° |
| H8 | C29 | C30 | H11 | 57.8° | 60.1° |
| H9 | C29 | C30 | H10 | 179.0° | 60.0° |
| H9 | C29 | C30 | H11 | 61.3° | 180.0° |
| H12 | C32 | C33 | H13 | 0.5° | 0.3° |
