RI6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C11 | sing | 1.74Å | 1.74Å | |
| C10 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | N3 | sing | 1.31Å | 1.33Å | Aromatic |
| C9 | C14 | sing | 1.42Å | 1.43Å | Aromatic |
| N3 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C6 | doub | 1.41Å | 1.43Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N2 | sing | 1.40Å | 1.41Å | |
| N2 | C5 | sing | 1.35Å | 1.35Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C5 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | N1 | sing | 1.47Å | 1.46Å | |
| C4 | C15 | sing | 1.51Å | 1.52Å | |
| O | C1 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| C1 | N | sing | 1.35Å | 1.33Å | |
| N1 | C21 | sing | 1.47Å | 1.47Å | |
| N | C | sing | 1.46Å | 1.45Å | |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | CL1 | sing | 1.74Å | 1.74Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C11 | C10 | 118.9° | 119.5° |
| CL | C11 | C12 | 118.8° | 119.5° |
| C11 | C10 | C9 | 119.3° | 119.6° |
| C10 | C11 | C12 | 122.2° | 121.0° |
| C11 | C10 | H5 | 120.4° | 120.2° |
| C10 | C9 | C8 | 123.0° | 122.0° |
| C10 | C9 | C14 | 119.4° | 119.3° |
| C9 | C10 | H5 | 120.3° | 120.2° |
| C11 | C12 | C13 | 119.7° | 121.0° |
| C11 | C12 | H21 | 120.1° | 119.5° |
| C9 | C8 | N3 | 124.2° | 120.2° |
| C8 | C9 | C14 | 117.6° | 118.7° |
| C9 | C8 | H4 | 117.9° | 119.9° |
| C8 | N3 | C7 | 117.6° | 122.9° |
| N3 | C8 | H4 | 117.9° | 119.9° |
| C9 | C14 | C13 | 118.2° | 119.6° |
| C9 | C14 | C6 | 118.2° | 118.2° |
| N3 | C7 | C6 | 125.1° | 121.6° |
| N3 | C7 | H3 | 117.4° | 119.2° |
| C12 | C13 | C14 | 121.2° | 119.5° |
| C12 | C13 | H6 | 119.4° | 120.3° |
| C13 | C12 | H21 | 120.1° | 119.5° |
| C13 | C14 | C6 | 123.7° | 122.2° |
| C14 | C13 | H6 | 119.4° | 120.2° |
| C14 | C6 | C7 | 117.4° | 118.4° |
| C14 | C6 | N2 | 118.4° | 120.7° |
| C7 | C6 | N2 | 124.2° | 120.8° |
| C6 | C7 | H3 | 117.5° | 119.2° |
| C6 | N2 | C5 | 127.7° | 120.0° |
| C6 | N2 | H20 | 116.1° | 120.1° |
| N2 | C5 | C4 | 114.6° | 120.0° |
| N2 | C5 | O1 | 123.1° | 120.0° |
| C5 | N2 | H20 | 116.2° | 120.0° |
| C4 | C5 | O1 | 122.2° | 120.0° |
| C5 | C4 | C3 | 108.4° | 109.3° |
| C5 | C4 | C15 | 107.4° | 109.4° |
| C5 | C4 | H2 | 110.1° | 109.4° |
| C4 | C3 | N1 | 108.7° | 108.5° |
| C3 | C4 | C15 | 110.4° | 109.9° |
| C3 | C4 | H2 | 110.2° | 109.4° |
| C4 | C3 | H18 | 109.6° | 109.7° |
| C4 | C3 | H19 | 109.6° | 109.6° |
| C3 | N1 | C2 | 113.9° | 111.0° |
| C3 | N1 | C21 | 110.6° | 110.3° |
| N1 | C3 | H18 | 109.7° | 109.6° |
| N1 | C3 | H19 | 109.7° | 109.6° |
| C4 | C15 | C16 | 120.5° | 118.5° |
| C4 | C15 | C20 | 119.9° | 121.7° |
| C15 | C4 | H2 | 110.3° | 109.4° |
| O | C1 | C2 | 120.5° | 120.0° |
| O | C1 | N | 122.6° | 120.0° |
| C1 | C2 | N1 | 114.2° | 109.5° |
| C2 | C1 | N | 116.9° | 120.0° |
| C1 | C2 | H12 | 108.3° | 109.5° |
| C1 | C2 | H13 | 108.3° | 109.5° |
| C2 | N1 | C21 | 113.3° | 111.0° |
| N1 | C2 | H12 | 108.3° | 109.5° |
| N1 | C2 | H13 | 108.3° | 109.5° |
| C1 | N | C | 122.5° | 120.0° |
| C1 | N | H14 | 118.7° | 120.0° |
| N1 | C21 | C20 | 112.3° | 110.4° |
| N1 | C21 | H7 | 108.7° | 109.3° |
| N1 | C21 | H8 | 108.7° | 109.3° |
| C | N | H14 | 118.7° | 120.0° |
| N | C | H15 | 109.5° | 109.5° |
| N | C | H16 | 109.5° | 109.5° |
| N | C | H17 | 109.4° | 109.5° |
| C16 | C15 | C20 | 119.5° | 119.9° |
| C15 | C16 | C17 | 119.7° | 120.4° |
| C15 | C16 | H9 | 120.2° | 119.8° |
| C15 | C20 | C21 | 121.3° | 121.9° |
| C15 | C20 | C19 | 119.1° | 119.8° |
| C16 | C17 | CL1 | 119.1° | 120.1° |
| C16 | C17 | C18 | 121.5° | 119.8° |
| C17 | C16 | H9 | 120.1° | 119.8° |
| C21 | C20 | C19 | 119.5° | 118.4° |
| C20 | C21 | H7 | 108.8° | 109.3° |
| C20 | C21 | H8 | 108.8° | 109.2° |
| C20 | C19 | C18 | 121.1° | 120.4° |
| C20 | C19 | H11 | 119.5° | 119.8° |
| CL1 | C17 | C18 | 119.4° | 120.1° |
| C17 | C18 | C19 | 119.0° | 119.8° |
| C17 | C18 | H10 | 120.5° | 120.1° |
| C19 | C18 | H10 | 120.5° | 120.1° |
| C18 | C19 | H11 | 119.5° | 119.8° |
| H7 | C21 | H8 | 109.5° | 109.3° |
| H12 | C2 | H13 | 109.5° | 109.5° |
| H15 | C | H16 | 109.5° | 109.5° |
| H15 | C | H17 | 109.5° | 109.5° |
| H16 | C | H17 | 109.5° | 109.4° |
| H18 | C3 | H19 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C11 | C10 | C12 | 177.2° | 180.0° |
| CL | C11 | C10 | C9 | 175.9° | 180.0° |
| CL | C11 | C12 | C13 | 175.2° | 179.9° |
| CL | C11 | C10 | H5 | 4.1° | 0.1° |
| CL | C11 | C12 | H21 | 4.8° | 0.0° |
| C11 | C10 | C9 | H5 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 179.9° | 180.0° |
| C11 | C10 | C9 | C14 | 0.8° | 0.0° |
| C10 | C11 | C12 | C13 | 2.1° | 0.1° |
| C10 | C11 | C12 | H21 | 177.9° | 180.0° |
| C9 | C10 | C11 | C12 | 1.3° | 0.0° |
| C10 | C9 | C8 | C14 | 179.3° | 180.0° |
| C10 | C9 | C8 | N3 | 178.3° | 180.0° |
| C10 | C9 | C14 | C13 | 2.0° | 0.0° |
| C10 | C9 | C14 | C6 | 177.5° | 180.0° |
| C10 | C9 | C8 | H4 | 1.7° | 0.1° |
| C11 | C12 | C13 | H21 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.7° | 0.1° |
| C12 | C11 | C10 | H5 | 178.6° | 179.9° |
| C11 | C12 | C13 | H6 | 179.3° | 180.0° |
| C9 | C8 | N3 | H4 | 180.0° | 179.9° |
| C9 | C8 | N3 | C7 | 0.2° | 0.1° |
| C8 | C9 | C14 | C13 | 178.6° | 180.0° |
| C8 | C9 | C14 | C6 | 1.9° | 0.0° |
| C8 | C9 | C10 | H5 | 0.1° | 0.1° |
| N3 | C8 | C9 | C14 | 1.1° | 0.0° |
| C8 | N3 | C7 | C6 | 0.7° | 0.0° |
| C8 | N3 | C7 | H3 | 179.3° | 180.0° |
| C9 | C14 | C13 | C12 | 1.3° | 0.1° |
| C9 | C14 | C13 | C6 | 179.5° | 180.0° |
| C9 | C14 | C6 | C7 | 1.4° | 0.0° |
| C9 | C14 | C6 | N2 | 176.1° | 180.0° |
| C14 | C9 | C8 | H4 | 178.9° | 180.0° |
| C14 | C9 | C10 | H5 | 179.3° | 180.0° |
| C9 | C14 | C13 | H6 | 178.6° | 180.0° |
| N3 | C7 | C6 | C14 | 0.1° | 0.0° |
| N3 | C7 | C6 | H3 | 180.0° | 179.9° |
| N3 | C7 | C6 | N2 | 177.2° | 180.0° |
| C7 | N3 | C8 | H4 | 179.8° | 180.0° |
| C12 | C13 | C14 | H6 | 180.0° | 179.9° |
| C12 | C13 | C14 | C6 | 178.2° | 180.0° |
| C13 | C14 | C6 | C7 | 179.1° | 180.0° |
| C13 | C14 | C6 | N2 | 3.5° | 0.0° |
| C14 | C13 | C12 | H21 | 179.3° | 180.0° |
| C14 | C6 | C7 | N2 | 177.3° | 180.0° |
| C14 | C6 | N2 | C5 | 88.5° | 145.4° |
| C14 | C6 | C7 | H3 | 179.9° | 180.0° |
| C6 | C14 | C13 | H6 | 1.8° | 0.0° |
| C14 | C6 | N2 | H20 | 91.5° | 34.6° |
| C7 | C6 | N2 | C5 | 88.8° | 34.6° |
| C7 | C6 | N2 | H20 | 91.2° | 145.4° |
| C6 | N2 | C5 | H20 | 180.0° | 180.0° |
| C6 | N2 | C5 | C4 | 175.3° | 175.6° |
| C6 | N2 | C5 | O1 | 2.0° | 4.4° |
| N2 | C6 | C7 | H3 | 2.8° | 0.0° |
| N2 | C5 | C4 | O1 | 177.3° | 180.0° |
| N2 | C5 | C4 | C3 | 85.4° | 179.5° |
| N2 | C5 | C4 | C15 | 155.3° | 60.0° |
| N2 | C5 | C4 | H2 | 35.2° | 59.8° |
| C5 | C4 | C3 | C15 | 117.4° | 120.1° |
| C5 | C4 | C3 | H2 | 120.5° | 119.8° |
| C5 | C4 | C3 | N1 | 63.3° | 69.6° |
| C5 | C4 | C15 | H2 | 120.0° | 119.9° |
| C5 | C4 | C15 | C16 | 80.7° | 77.0° |
| C5 | C4 | C15 | C20 | 95.0° | 103.0° |
| C5 | C4 | C3 | H18 | 56.6° | 170.7° |
| C5 | C4 | C3 | H19 | 176.8° | 50.0° |
| C4 | C5 | N2 | H20 | 4.7° | 4.4° |
| O1 | C5 | C4 | C3 | 91.9° | 0.4° |
| O1 | C5 | C4 | C15 | 27.4° | 120.0° |
| O1 | C5 | C4 | H2 | 147.5° | 120.2° |
| O1 | C5 | N2 | H20 | 178.0° | 175.6° |
| C4 | C3 | N1 | H18 | 119.9° | 119.7° |
| C4 | C3 | N1 | H19 | 119.9° | 119.7° |
| C3 | C4 | C15 | H2 | 122.0° | 120.1° |
| C4 | C3 | N1 | C2 | 161.3° | 165.3° |
| C4 | C3 | N1 | C21 | 69.7° | 71.3° |
| C3 | C4 | C15 | C16 | 161.4° | 163.0° |
| C3 | C4 | C15 | C20 | 23.0° | 17.0° |
| C4 | C3 | H18 | H19 | 120.3° | 120.5° |
| N1 | C3 | C4 | C15 | 54.1° | 50.5° |
| C3 | N1 | C2 | C1 | 124.6° | 170.9° |
| C3 | N1 | C2 | C21 | 127.7° | 123.0° |
| C3 | N1 | C21 | C20 | 49.7° | 52.5° |
| N1 | C3 | C4 | H2 | 176.2° | 170.6° |
| C3 | N1 | C21 | H7 | 170.1° | 172.8° |
| C3 | N1 | C21 | H8 | 70.7° | 67.6° |
| C3 | N1 | C2 | H12 | 114.7° | 50.9° |
| C3 | N1 | C2 | H13 | 3.9° | 69.1° |
| N1 | C3 | H18 | H19 | 120.4° | 120.5° |
| C4 | C15 | C16 | C20 | 175.7° | 180.0° |
| C4 | C15 | C16 | C17 | 173.1° | 179.8° |
| C4 | C15 | C20 | C21 | 5.1° | 0.6° |
| C4 | C15 | C20 | C19 | 173.1° | 179.7° |
| C4 | C15 | C16 | H9 | 6.9° | 0.1° |
| C15 | C4 | C3 | H18 | 174.0° | 69.2° |
| C15 | C4 | C3 | H19 | 65.8° | 170.1° |
| O | C1 | C2 | N | 179.5° | 180.0° |
| O | C1 | C2 | N1 | 169.5° | 0.0° |
| O | C1 | N | C | 1.0° | 0.0° |
| O | C1 | C2 | H12 | 69.8° | 120.0° |
| O | C1 | C2 | H13 | 48.9° | 120.0° |
| O | C1 | N | H14 | 179.0° | 180.0° |
| C1 | C2 | N1 | H12 | 120.7° | 120.0° |
| C1 | C2 | N1 | H13 | 120.7° | 120.0° |
| C1 | C2 | N1 | C21 | 107.7° | 66.0° |
| C2 | C1 | N | C | 178.4° | 180.0° |
| C1 | C2 | H12 | H13 | 117.8° | 120.0° |
| C2 | C1 | N | H14 | 1.5° | 0.0° |
| N1 | C2 | C1 | N | 9.9° | 180.0° |
| C2 | N1 | C21 | C20 | 179.1° | 175.9° |
| C2 | N1 | C21 | H7 | 60.5° | 63.8° |
| C2 | N1 | C21 | H8 | 58.6° | 55.8° |
| N1 | C2 | H12 | H13 | 117.9° | 120.0° |
| C2 | N1 | C3 | H18 | 41.4° | 75.0° |
| C2 | N1 | C3 | H19 | 78.8° | 45.6° |
| C1 | N | C | H14 | 180.0° | 180.0° |
| N | C1 | C2 | H12 | 110.8° | 60.0° |
| N | C1 | C2 | H13 | 130.6° | 60.0° |
| C1 | N | C | H15 | 180.0° | 180.0° |
| C1 | N | C | H16 | 60.0° | 60.0° |
| C1 | N | C | H17 | 60.0° | 59.9° |
| N1 | C21 | C20 | C15 | 17.6° | 17.6° |
| N1 | C21 | C20 | H7 | 120.4° | 120.3° |
| N1 | C21 | C20 | H8 | 120.4° | 120.2° |
| N1 | C21 | C20 | C19 | 160.6° | 162.7° |
| N1 | C21 | H7 | H8 | 118.7° | 119.6° |
| C21 | N1 | C2 | H12 | 13.0° | 174.0° |
| C21 | N1 | C2 | H13 | 131.6° | 54.0° |
| C21 | N1 | C3 | H18 | 170.4° | 48.4° |
| C21 | N1 | C3 | H19 | 50.2° | 169.0° |
| N | C | H15 | H16 | 120.0° | 120.1° |
| N | C | H15 | H17 | 120.0° | 120.0° |
| N | C | H16 | H17 | 120.0° | 120.0° |
| C15 | C16 | C17 | H9 | 180.0° | 179.9° |
| C16 | C15 | C20 | C21 | 179.1° | 179.4° |
| C16 | C15 | C20 | C19 | 2.6° | 0.3° |
| C15 | C16 | C17 | CL1 | 179.8° | 179.9° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C16 | C15 | C4 | H2 | 39.3° | 42.9° |
| C20 | C15 | C16 | C17 | 2.6° | 0.2° |
| C15 | C20 | C21 | C19 | 178.2° | 179.7° |
| C15 | C20 | C19 | C18 | 0.5° | 0.2° |
| C20 | C15 | C4 | H2 | 145.0° | 137.1° |
| C15 | C20 | C21 | H7 | 138.0° | 137.8° |
| C15 | C20 | C21 | H8 | 102.9° | 102.7° |
| C20 | C15 | C16 | H9 | 177.4° | 179.9° |
| C15 | C20 | C19 | H11 | 179.5° | 179.7° |
| C16 | C17 | CL1 | C18 | 179.5° | 179.9° |
| C16 | C17 | C18 | C19 | 1.8° | 0.1° |
| C16 | C17 | C18 | H10 | 178.2° | 179.9° |
| C21 | C20 | C19 | C18 | 178.8° | 179.6° |
| C20 | C21 | H7 | H8 | 118.7° | 119.5° |
| C21 | C20 | C19 | H11 | 1.2° | 0.5° |
| C20 | C19 | C18 | C17 | 1.7° | 0.0° |
| C20 | C19 | C18 | H11 | 180.0° | 179.9° |
| C19 | C20 | C21 | H7 | 40.2° | 42.5° |
| C19 | C20 | C21 | H8 | 78.9° | 77.1° |
| C20 | C19 | C18 | H10 | 178.3° | 180.0° |
| CL1 | C17 | C18 | C19 | 177.7° | 179.8° |
| CL1 | C17 | C16 | H9 | 0.1° | 0.1° |
| CL1 | C17 | C18 | H10 | 2.3° | 0.1° |
| C17 | C18 | C19 | H10 | 180.0° | 179.9° |
| C18 | C17 | C16 | H9 | 179.6° | 179.9° |
| C17 | C18 | C19 | H11 | 178.3° | 180.0° |
| H2 | C4 | C3 | H18 | 63.9° | 50.9° |
| H2 | C4 | C3 | H19 | 56.3° | 69.8° |
| H6 | C13 | C12 | H21 | 0.7° | 0.0° |
| H10 | C18 | C19 | H11 | 1.7° | 0.1° |
| H14 | N | C | H15 | 0.0° | 0.0° |
| H14 | N | C | H16 | 120.0° | 120.0° |
| H14 | N | C | H17 | 120.0° | 120.0° |
| H15 | C | H16 | H17 | 120.0° | 120.0° |
