N8R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.56Å | |
| C04 | O01 | sing | 1.43Å | 1.43Å | |
| C06 | C07 | doub | 1.37Å | 1.33Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.53Å | Aromatic |
| C07 | C08 | sing | 1.40Å | 1.53Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C18 | N01 | sing | 1.47Å | 1.31Å | |
| O01 | C05 | sing | 1.36Å | 1.43Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.51Å | 1.54Å | |
| C05 | C10 | doub | 1.39Å | 1.33Å | Aromatic |
| C13 | N01 | sing | 1.47Å | 1.32Å | |
| N01 | C14 | sing | 1.47Å | 1.31Å | |
| C08 | C11 | sing | 1.47Å | 1.55Å | |
| C08 | C09 | doub | 1.40Å | 1.32Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C11 | O02 | doub | 1.21Å | 1.17Å | |
| C10 | C09 | sing | 1.37Å | 1.54Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.08Å | 1.08Å | |
| C07 | H11 | sing | 1.08Å | 1.08Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 110.0° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 109.3° | 109.5° |
| C01 | C02 | H5 | 109.3° | 109.4° |
| C02 | C03 | C04 | 108.5° | 109.5° |
| C03 | C02 | H4 | 109.3° | 109.5° |
| C03 | C02 | H5 | 109.3° | 109.4° |
| C02 | C03 | H6 | 109.7° | 109.5° |
| C02 | C03 | H7 | 109.7° | 109.4° |
| C03 | C04 | O01 | 109.4° | 109.5° |
| C04 | C03 | H6 | 109.7° | 109.5° |
| C04 | C03 | H7 | 109.7° | 109.5° |
| C03 | C04 | H8 | 109.5° | 109.5° |
| C03 | C04 | H9 | 109.5° | 109.4° |
| C04 | O01 | C05 | 114.9° | 117.0° |
| O01 | C04 | H8 | 109.5° | 109.5° |
| O01 | C04 | H9 | 109.5° | 109.5° |
| C07 | C06 | C05 | 120.5° | 120.2° |
| C06 | C07 | C08 | 119.9° | 119.9° |
| C07 | C06 | H10 | 119.7° | 119.9° |
| C06 | C07 | H11 | 120.1° | 120.1° |
| C06 | C05 | O01 | 120.0° | 119.9° |
| C06 | C05 | C10 | 119.5° | 120.2° |
| C05 | C06 | H10 | 119.8° | 119.9° |
| C07 | C08 | C11 | 120.0° | 120.1° |
| C07 | C08 | C09 | 119.9° | 119.8° |
| C08 | C07 | H11 | 120.1° | 120.1° |
| C18 | C17 | C16 | 111.2° | 109.3° |
| C17 | C18 | N01 | 115.3° | 109.5° |
| C18 | C17 | H24 | 109.0° | 109.5° |
| C18 | C17 | H25 | 109.0° | 109.5° |
| C17 | C18 | H26 | 108.0° | 109.5° |
| C17 | C18 | H27 | 108.0° | 109.5° |
| C17 | C16 | C15 | 114.1° | 109.2° |
| C17 | C16 | H22 | 108.3° | 109.5° |
| C17 | C16 | H23 | 108.3° | 109.5° |
| C16 | C17 | H24 | 109.0° | 109.4° |
| C16 | C17 | H25 | 109.1° | 109.5° |
| C18 | N01 | C13 | 107.4° | 111.0° |
| C18 | N01 | C14 | 115.1° | 111.2° |
| N01 | C18 | H26 | 108.0° | 109.4° |
| N01 | C18 | H27 | 108.0° | 109.4° |
| O01 | C05 | C10 | 120.5° | 119.9° |
| C13 | C12 | C11 | 108.5° | 109.5° |
| C12 | C13 | N01 | 110.0° | 109.5° |
| C13 | C12 | H14 | 109.7° | 109.5° |
| C13 | C12 | H15 | 109.7° | 109.5° |
| C12 | C13 | H16 | 109.3° | 109.5° |
| C12 | C13 | H17 | 109.3° | 109.4° |
| C12 | C11 | C08 | 120.4° | 120.0° |
| C12 | C11 | O02 | 119.8° | 120.0° |
| C11 | C12 | H14 | 109.7° | 109.5° |
| C11 | C12 | H15 | 109.7° | 109.5° |
| C05 | C10 | C09 | 120.0° | 120.1° |
| C05 | C10 | H13 | 120.0° | 119.9° |
| C13 | N01 | C14 | 107.8° | 111.0° |
| N01 | C13 | H16 | 109.3° | 109.4° |
| N01 | C13 | H17 | 109.3° | 109.4° |
| N01 | C14 | C15 | 114.9° | 109.5° |
| N01 | C14 | H18 | 108.1° | 109.5° |
| N01 | C14 | H19 | 108.1° | 109.5° |
| C11 | C08 | C09 | 120.1° | 120.1° |
| C08 | C11 | O02 | 119.9° | 120.0° |
| C08 | C09 | C10 | 120.3° | 119.9° |
| C08 | C09 | H12 | 119.9° | 120.1° |
| C16 | C15 | C14 | 111.6° | 109.3° |
| C16 | C15 | H20 | 108.9° | 109.5° |
| C16 | C15 | H21 | 108.9° | 109.5° |
| C15 | C16 | H22 | 108.3° | 109.6° |
| C15 | C16 | H23 | 108.3° | 109.5° |
| C10 | C09 | H12 | 119.9° | 120.0° |
| C09 | C10 | H13 | 120.0° | 120.0° |
| C15 | C14 | H18 | 108.1° | 109.5° |
| C15 | C14 | H19 | 108.1° | 109.5° |
| C14 | C15 | H20 | 108.9° | 109.5° |
| C14 | C15 | H21 | 108.9° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.6° |
| H18 | C14 | H19 | 109.5° | 109.4° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H24 | C17 | H25 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H4 | 120.1° | 120.1° |
| C01 | C02 | C03 | H5 | 120.1° | 119.9° |
| C01 | C02 | C03 | C04 | 168.0° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C01 | C02 | H4 | H5 | 119.7° | 120.0° |
| C01 | C02 | C03 | H6 | 72.2° | 59.9° |
| C01 | C02 | C03 | H7 | 48.1° | 60.0° |
| C02 | C03 | C04 | H6 | 119.8° | 120.1° |
| C02 | C03 | C04 | H7 | 119.8° | 119.9° |
| C02 | C03 | C04 | O01 | 140.1° | 180.0° |
| C03 | C02 | C01 | H1 | 180.0° | 60.1° |
| C03 | C02 | C01 | H2 | 60.0° | 59.9° |
| C03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C03 | C02 | H4 | H5 | 119.8° | 120.0° |
| C02 | C03 | H6 | H7 | 120.4° | 119.9° |
| C02 | C03 | C04 | H8 | 99.9° | 59.9° |
| C02 | C03 | C04 | H9 | 20.1° | 60.1° |
| C03 | C04 | O01 | H8 | 120.0° | 120.0° |
| C03 | C04 | O01 | H9 | 120.0° | 119.9° |
| C03 | C04 | O01 | C05 | 155.5° | 180.0° |
| C04 | C03 | C02 | H4 | 47.9° | 59.9° |
| C04 | C03 | C02 | H5 | 72.0° | 60.1° |
| C04 | C03 | H6 | H7 | 120.5° | 120.0° |
| C03 | C04 | H8 | H9 | 120.0° | 120.0° |
| C04 | O01 | C05 | C06 | 36.0° | 0.3° |
| C04 | O01 | C05 | C10 | 144.9° | 180.0° |
| O01 | C04 | C03 | H6 | 20.3° | 60.0° |
| O01 | C04 | C03 | H7 | 100.1° | 60.1° |
| O01 | C04 | H8 | H9 | 120.0° | 120.0° |
| C07 | C06 | C05 | H10 | 180.0° | 179.9° |
| C06 | C07 | C08 | H11 | 180.0° | 179.9° |
| C07 | C06 | C05 | O01 | 180.0° | 179.7° |
| C07 | C06 | C05 | C10 | 0.8° | 0.0° |
| C06 | C07 | C08 | C11 | 179.9° | 180.0° |
| C06 | C07 | C08 | C09 | 0.1° | 0.0° |
| C05 | C06 | C07 | C08 | 0.3° | 0.0° |
| C06 | C05 | O01 | C10 | 179.1° | 179.7° |
| C06 | C05 | C10 | C09 | 1.2° | 0.0° |
| C05 | C06 | C07 | H11 | 179.7° | 179.9° |
| C06 | C05 | C10 | H13 | 178.9° | 180.0° |
| C07 | C08 | C11 | C12 | 4.4° | 180.0° |
| C07 | C08 | C11 | C09 | 180.0° | 180.0° |
| C07 | C08 | C11 | O02 | 176.0° | 0.0° |
| C07 | C08 | C09 | C10 | 0.5° | 0.0° |
| C08 | C07 | C06 | H10 | 179.7° | 179.9° |
| C07 | C08 | C09 | H12 | 179.6° | 180.0° |
| C18 | C17 | C16 | H24 | 120.3° | 119.9° |
| C18 | C17 | C16 | H25 | 120.3° | 120.0° |
| C17 | C18 | N01 | H26 | 120.9° | 120.1° |
| C17 | C18 | N01 | H27 | 120.9° | 120.0° |
| C17 | C18 | N01 | C13 | 178.7° | 174.2° |
| C17 | C18 | N01 | C14 | 58.6° | 61.7° |
| C18 | C17 | C16 | C15 | 33.6° | 57.6° |
| C18 | C17 | C16 | H22 | 87.1° | 177.6° |
| C18 | C17 | C16 | H23 | 154.3° | 62.3° |
| C18 | C17 | H24 | H25 | 119.2° | 120.1° |
| C17 | C18 | H26 | H27 | 117.3° | 120.0° |
| C16 | C17 | C18 | N01 | 44.1° | 59.1° |
| C17 | C16 | C15 | H22 | 120.7° | 120.0° |
| C17 | C16 | C15 | H23 | 120.7° | 119.9° |
| C17 | C16 | C15 | C14 | 35.1° | 57.6° |
| C17 | C16 | C15 | H20 | 155.4° | 62.3° |
| C17 | C16 | C15 | H21 | 85.2° | 177.6° |
| C17 | C16 | H22 | H23 | 117.9° | 120.1° |
| C16 | C17 | H24 | H25 | 119.2° | 120.1° |
| C16 | C17 | C18 | H26 | 164.9° | 179.1° |
| C16 | C17 | C18 | H27 | 76.8° | 60.9° |
| C18 | N01 | C13 | C12 | 119.5° | 170.0° |
| C18 | N01 | C13 | C14 | 124.7° | 124.2° |
| C18 | N01 | C14 | C15 | 60.2° | 61.7° |
| C18 | N01 | C13 | H16 | 120.5° | 70.0° |
| C18 | N01 | C13 | H17 | 0.6° | 50.0° |
| C18 | N01 | C14 | H18 | 179.0° | 58.3° |
| C18 | N01 | C14 | H19 | 60.6° | 178.2° |
| N01 | C18 | C17 | H24 | 164.3° | 60.8° |
| N01 | C18 | C17 | H25 | 76.2° | 179.1° |
| N01 | C18 | H26 | H27 | 117.3° | 119.9° |
| O01 | C05 | C10 | C09 | 179.7° | 179.7° |
| C05 | O01 | C04 | H8 | 84.5° | 60.0° |
| C05 | O01 | C04 | H9 | 35.5° | 60.0° |
| O01 | C05 | C06 | H10 | 0.1° | 0.4° |
| O01 | C05 | C10 | H13 | 0.3° | 0.3° |
| C13 | C12 | C11 | H14 | 119.8° | 120.0° |
| C13 | C12 | C11 | H15 | 119.8° | 120.0° |
| C12 | C13 | N01 | H16 | 120.1° | 120.0° |
| C12 | C13 | N01 | H17 | 120.1° | 119.9° |
| C12 | C13 | N01 | C14 | 115.9° | 65.8° |
| C13 | C12 | C11 | C08 | 128.9° | 180.0° |
| C13 | C12 | C11 | O02 | 50.7° | 0.0° |
| C13 | C12 | H14 | H15 | 120.5° | 120.0° |
| C12 | C13 | H16 | H17 | 119.8° | 120.0° |
| C11 | C12 | C13 | N01 | 118.3° | 180.0° |
| C12 | C11 | C08 | O02 | 179.6° | 180.0° |
| C12 | C11 | C08 | C09 | 175.6° | 0.0° |
| C11 | C12 | H14 | H15 | 120.5° | 120.0° |
| C11 | C12 | C13 | H16 | 1.8° | 60.1° |
| C11 | C12 | C13 | H17 | 121.6° | 60.0° |
| C05 | C10 | C09 | C08 | 1.0° | 0.0° |
| C05 | C10 | C09 | H13 | 180.0° | 180.0° |
| C10 | C05 | C06 | H10 | 179.2° | 180.0° |
| C05 | C10 | C09 | H12 | 179.0° | 180.0° |
| C13 | N01 | C14 | C15 | 179.9° | 174.2° |
| N01 | C13 | C12 | H14 | 1.5° | 60.0° |
| N01 | C13 | C12 | H15 | 121.9° | 60.0° |
| N01 | C13 | H16 | H17 | 119.8° | 120.0° |
| C13 | N01 | C14 | H18 | 59.1° | 65.8° |
| C13 | N01 | C14 | H19 | 59.3° | 54.1° |
| C13 | N01 | C18 | H26 | 60.5° | 54.1° |
| C13 | N01 | C18 | H27 | 57.8° | 65.8° |
| N01 | C14 | C15 | C16 | 47.3° | 59.2° |
| N01 | C14 | C15 | H18 | 120.8° | 120.0° |
| N01 | C14 | C15 | H19 | 120.8° | 120.0° |
| C14 | N01 | C13 | H16 | 4.2° | 54.2° |
| C14 | N01 | C13 | H17 | 124.0° | 174.3° |
| N01 | C14 | H18 | H19 | 117.5° | 120.0° |
| N01 | C14 | C15 | H20 | 167.6° | 60.8° |
| N01 | C14 | C15 | H21 | 73.0° | 179.1° |
| C14 | N01 | C18 | H26 | 179.5° | 178.2° |
| C14 | N01 | C18 | H27 | 62.3° | 58.3° |
| C11 | C08 | C09 | C10 | 179.6° | 180.0° |
| C11 | C08 | C07 | H11 | 0.1° | 0.0° |
| C11 | C08 | C09 | H12 | 0.4° | 0.0° |
| C08 | C11 | C12 | H14 | 111.3° | 60.0° |
| C08 | C11 | C12 | H15 | 9.1° | 60.0° |
| C09 | C08 | C11 | O02 | 4.0° | 180.0° |
| C08 | C09 | C10 | H12 | 180.0° | 180.0° |
| C09 | C08 | C07 | H11 | 179.9° | 180.0° |
| C08 | C09 | C10 | H13 | 179.0° | 180.0° |
| C16 | C15 | C14 | H20 | 120.3° | 119.9° |
| C16 | C15 | C14 | H21 | 120.3° | 120.0° |
| C16 | C15 | C14 | H18 | 168.1° | 60.9° |
| C16 | C15 | C14 | H19 | 73.5° | 179.2° |
| C16 | C15 | H20 | H21 | 119.0° | 120.1° |
| C15 | C16 | H22 | H23 | 117.9° | 120.2° |
| C15 | C16 | C17 | H24 | 153.8° | 62.3° |
| C15 | C16 | C17 | H25 | 86.7° | 177.6° |
| O02 | C11 | C12 | H14 | 69.1° | 120.0° |
| O02 | C11 | C12 | H15 | 170.6° | 120.0° |
| C15 | C14 | H18 | H19 | 117.6° | 120.0° |
| C14 | C15 | H20 | H21 | 119.0° | 120.1° |
| C14 | C15 | C16 | H22 | 85.5° | 177.6° |
| C14 | C15 | C16 | H23 | 155.8° | 62.3° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H1 | C01 | C02 | H4 | 59.9° | 60.0° |
| H1 | C01 | C02 | H5 | 59.9° | 180.0° |
| H2 | C01 | C02 | H4 | 60.1° | 180.0° |
| H2 | C01 | C02 | H5 | 179.9° | 60.0° |
| H3 | C01 | C02 | H4 | 179.9° | 59.9° |
| H3 | C01 | C02 | H5 | 60.1° | 60.1° |
| H4 | C02 | C03 | H6 | 167.7° | 180.0° |
| H4 | C02 | C03 | H7 | 72.0° | 60.0° |
| H5 | C02 | C03 | H6 | 47.9° | 60.0° |
| H5 | C02 | C03 | H7 | 168.2° | 180.0° |
| H6 | C03 | C04 | H8 | 140.2° | 180.0° |
| H6 | C03 | C04 | H9 | 99.7° | 60.0° |
| H7 | C03 | C04 | H8 | 19.9° | 60.0° |
| H7 | C03 | C04 | H9 | 140.0° | 180.0° |
| H10 | C06 | C07 | H11 | 0.3° | 0.0° |
| H12 | C09 | C10 | H13 | 1.0° | 0.0° |
| H14 | C12 | C13 | H16 | 121.6° | 179.9° |
| H14 | C12 | C13 | H17 | 118.6° | 60.0° |
| H15 | C12 | C13 | H16 | 118.0° | 60.0° |
| H15 | C12 | C13 | H17 | 1.8° | 179.9° |
| H18 | C14 | C15 | H20 | 71.6° | 179.2° |
| H18 | C14 | C15 | H21 | 47.7° | 59.1° |
| H19 | C14 | C15 | H20 | 46.8° | 59.3° |
| H19 | C14 | C15 | H21 | 166.2° | 60.9° |
| H20 | C15 | C16 | H22 | 34.8° | 57.7° |
| H20 | C15 | C16 | H23 | 83.9° | 177.8° |
| H21 | C15 | C16 | H22 | 154.1° | 62.5° |
| H21 | C15 | C16 | H23 | 35.5° | 57.6° |
| H22 | C16 | C17 | H24 | 33.2° | 57.7° |
| H22 | C16 | C17 | H25 | 152.7° | 62.4° |
| H23 | C16 | C17 | H24 | 85.5° | 177.7° |
| H23 | C16 | C17 | H25 | 34.0° | 57.7° |
| H24 | C17 | C18 | H26 | 74.8° | 59.3° |
| H24 | C17 | C18 | H27 | 43.5° | 179.2° |
| H25 | C17 | C18 | H26 | 44.6° | 60.9° |
| H25 | C17 | C18 | H27 | 162.9° | 59.1° |
