N6V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.51Å | 1.44Å | |
| O1 | C14 | sing | 1.34Å | 1.37Å | Aromatic |
| O1 | N4 | sing | 1.21Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.38Å | Aromatic |
| N4 | C12 | doub | 1.31Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.42Å | 1.48Å | Aromatic |
| C12 | N3 | sing | 1.39Å | 1.32Å | |
| N3 | C11 | sing | 1.35Å | 1.44Å | |
| O | C11 | doub | 1.22Å | 1.27Å | |
| C11 | N2 | sing | 1.35Å | 1.37Å | |
| N2 | C10 | sing | 1.40Å | 1.37Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C16 | sing | 1.39Å | 1.44Å | Aromatic |
| C8 | C7 | sing | 1.46Å | 1.43Å | Aromatic |
| C8 | C18 | doub | 1.41Å | 1.43Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.36Å | Aromatic |
| C7 | C6 | doub | 1.34Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | N1 | sing | 1.38Å | 1.35Å | Aromatic |
| C6 | N1 | sing | 1.37Å | 1.40Å | Aromatic |
| C2 | N | sing | 1.47Å | 1.52Å | |
| N1 | C5 | sing | 1.47Å | 1.44Å | |
| N | C1 | sing | 1.47Å | 1.52Å | |
| N | C4 | sing | 1.47Å | 1.55Å | |
| C5 | C4 | sing | 1.53Å | 1.59Å | |
| C1 | C | sing | 1.53Å | 1.50Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.08Å | 1.08Å | |
| N2 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | O1 | 116.4° | 126.7° |
| C15 | C14 | C13 | 133.7° | 126.7° |
| C14 | C15 | H9 | 109.5° | 109.5° |
| C14 | C15 | H10 | 109.5° | 109.4° |
| C14 | C15 | H11 | 109.5° | 109.5° |
| C14 | O1 | N4 | 110.5° | 111.7° |
| O1 | C14 | C13 | 109.9° | 106.6° |
| O1 | N4 | C12 | 106.5° | 111.4° |
| C14 | C13 | C12 | 102.8° | 104.0° |
| C14 | C13 | H8 | 128.6° | 128.0° |
| N4 | C12 | C13 | 110.3° | 106.2° |
| N4 | C12 | N3 | 118.0° | 126.9° |
| C13 | C12 | N3 | 131.4° | 126.9° |
| C12 | C13 | H8 | 128.6° | 128.0° |
| C12 | N3 | C11 | 122.4° | 120.0° |
| C12 | N3 | H1 | 118.8° | 120.0° |
| N3 | C11 | O | 126.1° | 120.0° |
| N3 | C11 | N2 | 110.3° | 120.1° |
| C11 | N3 | H1 | 118.8° | 120.0° |
| O | C11 | N2 | 123.3° | 120.0° |
| C11 | N2 | C10 | 129.8° | 120.1° |
| C11 | N2 | H26 | 115.1° | 120.0° |
| N2 | C10 | C9 | 124.1° | 119.9° |
| N2 | C10 | C16 | 114.3° | 119.9° |
| C10 | N2 | H26 | 115.1° | 120.0° |
| C10 | C9 | C8 | 118.0° | 119.6° |
| C9 | C10 | C16 | 121.1° | 120.2° |
| C10 | C9 | H25 | 121.0° | 120.2° |
| C9 | C8 | C7 | 132.6° | 133.9° |
| C9 | C8 | C18 | 119.0° | 120.0° |
| C8 | C9 | H25 | 121.0° | 120.2° |
| C10 | C16 | C17 | 121.9° | 120.6° |
| C10 | C16 | H19 | 119.1° | 119.7° |
| C7 | C8 | C18 | 108.2° | 106.0° |
| C8 | C7 | C6 | 105.5° | 107.0° |
| C8 | C7 | H7 | 127.3° | 126.5° |
| C8 | C18 | C17 | 123.2° | 119.5° |
| C8 | C18 | N1 | 106.9° | 107.1° |
| C16 | C17 | C18 | 116.6° | 120.0° |
| C16 | C17 | H12 | 121.7° | 120.0° |
| C17 | C16 | H19 | 119.0° | 119.7° |
| C7 | C6 | N1 | 109.9° | 109.9° |
| C7 | C6 | H6 | 125.1° | 125.0° |
| C6 | C7 | H7 | 127.3° | 126.5° |
| C3 | C2 | N | 111.9° | 109.5° |
| C3 | C2 | H20 | 108.8° | 109.5° |
| C3 | C2 | H21 | 108.8° | 109.5° |
| C2 | C3 | H22 | 109.5° | 109.5° |
| C2 | C3 | H23 | 109.5° | 109.4° |
| C2 | C3 | H24 | 109.5° | 109.5° |
| C17 | C18 | N1 | 129.8° | 133.3° |
| C18 | C17 | H12 | 121.7° | 120.0° |
| C18 | N1 | C6 | 109.4° | 109.8° |
| C18 | N1 | C5 | 122.7° | 125.1° |
| C6 | N1 | C5 | 126.7° | 125.1° |
| N1 | C6 | H6 | 125.1° | 125.0° |
| C2 | N | C1 | 107.9° | 111.0° |
| C2 | N | C4 | 112.8° | 111.0° |
| N | C2 | H20 | 108.9° | 109.4° |
| N | C2 | H21 | 108.9° | 109.5° |
| N1 | C5 | C4 | 106.8° | 109.5° |
| N1 | C5 | H4 | 110.1° | 109.5° |
| N1 | C5 | H5 | 110.1° | 109.5° |
| C1 | N | C4 | 112.7° | 111.0° |
| N | C1 | C | 110.7° | 109.5° |
| N | C1 | H17 | 109.2° | 109.5° |
| N | C1 | H18 | 109.1° | 109.5° |
| N | C4 | C5 | 111.5° | 109.5° |
| N | C4 | H2 | 109.0° | 109.5° |
| N | C4 | H3 | 109.0° | 109.5° |
| C5 | C4 | H2 | 109.0° | 109.5° |
| C5 | C4 | H3 | 109.0° | 109.4° |
| C4 | C5 | H4 | 110.2° | 109.5° |
| C4 | C5 | H5 | 110.1° | 109.4° |
| C1 | C | H14 | 109.5° | 109.4° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C | H16 | 109.5° | 109.5° |
| C | C1 | H17 | 109.2° | 109.5° |
| C | C1 | H18 | 109.2° | 109.5° |
| H2 | C4 | H3 | 109.4° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H9 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.4° |
| H14 | C | H15 | 109.5° | 109.5° |
| H14 | C | H16 | 109.5° | 109.4° |
| H15 | C | H16 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.4° | 109.5° |
| H20 | C2 | H21 | 109.5° | 109.5° |
| H22 | C3 | H23 | 109.5° | 109.5° |
| H22 | C3 | H24 | 109.5° | 109.5° |
| H23 | C3 | H24 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | O1 | C13 | 178.6° | 179.9° |
| C15 | C14 | O1 | N4 | 178.2° | 179.7° |
| C15 | C14 | C13 | C12 | 178.6° | 180.0° |
| C15 | C14 | C13 | H8 | 1.4° | 0.3° |
| C14 | C15 | H9 | H10 | 120.0° | 120.0° |
| C14 | C15 | H9 | H11 | 120.0° | 120.1° |
| C14 | C15 | H10 | H11 | 120.0° | 120.0° |
| C14 | O1 | N4 | C12 | 1.1° | 0.4° |
| O1 | C14 | C13 | C12 | 0.4° | 0.0° |
| O1 | C14 | C13 | H8 | 179.6° | 179.8° |
| O1 | C14 | C15 | H9 | 0.0° | 89.9° |
| O1 | C14 | C15 | H10 | 120.0° | 30.1° |
| O1 | C14 | C15 | H11 | 120.0° | 150.0° |
| N4 | O1 | C14 | C13 | 0.4° | 0.2° |
| O1 | N4 | C12 | C13 | 1.4° | 0.4° |
| O1 | N4 | C12 | N3 | 173.3° | 179.6° |
| C14 | C13 | C12 | N4 | 1.1° | 0.2° |
| C14 | C13 | C12 | H8 | 180.0° | 179.7° |
| C14 | C13 | C12 | N3 | 172.7° | 179.8° |
| C13 | C14 | C15 | H9 | 178.2° | 90.0° |
| C13 | C14 | C15 | H10 | 61.8° | 150.0° |
| C13 | C14 | C15 | H11 | 58.1° | 30.1° |
| N4 | C12 | C13 | N3 | 173.8° | 180.0° |
| N4 | C12 | N3 | C11 | 179.3° | 180.0° |
| N4 | C12 | N3 | H1 | 0.7° | 0.0° |
| N4 | C12 | C13 | H8 | 178.9° | 180.0° |
| C13 | C12 | N3 | C11 | 5.9° | 0.0° |
| C13 | C12 | N3 | H1 | 174.1° | 180.0° |
| C12 | N3 | C11 | H1 | 180.0° | 180.0° |
| C12 | N3 | C11 | O | 3.2° | 0.0° |
| C12 | N3 | C11 | N2 | 177.6° | 180.0° |
| N3 | C12 | C13 | H8 | 7.3° | 0.0° |
| N3 | C11 | O | N2 | 173.7° | 180.0° |
| N3 | C11 | N2 | C10 | 169.7° | 174.8° |
| N3 | C11 | N2 | H26 | 10.3° | 5.3° |
| O | C11 | N2 | C10 | 15.7° | 5.2° |
| O | C11 | N3 | H1 | 176.7° | 180.0° |
| O | C11 | N2 | H26 | 164.3° | 174.7° |
| C11 | N2 | C10 | H26 | 180.0° | 179.9° |
| C11 | N2 | C10 | C9 | 24.1° | 33.5° |
| C11 | N2 | C10 | C16 | 148.5° | 146.8° |
| N2 | C11 | N3 | H1 | 2.3° | 0.0° |
| N2 | C10 | C9 | C16 | 172.1° | 179.7° |
| N2 | C10 | C9 | C8 | 171.7° | 179.7° |
| N2 | C10 | C16 | C17 | 170.7° | 180.0° |
| N2 | C10 | C16 | H19 | 9.3° | 0.3° |
| N2 | C10 | C9 | H25 | 8.3° | 0.3° |
| C10 | C9 | C8 | H25 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 178.7° | 179.9° |
| C10 | C9 | C8 | C18 | 2.3° | 0.2° |
| C9 | C10 | C16 | C17 | 2.1° | 0.3° |
| C9 | C10 | C16 | H19 | 177.9° | 180.0° |
| C9 | C10 | N2 | H26 | 155.9° | 146.6° |
| C8 | C9 | C10 | C16 | 0.4° | 0.0° |
| C9 | C8 | C7 | C18 | 176.7° | 179.8° |
| C9 | C8 | C7 | C6 | 174.3° | 180.0° |
| C9 | C8 | C18 | C17 | 3.7° | 0.2° |
| C9 | C8 | C18 | N1 | 173.8° | 179.8° |
| C9 | C8 | C7 | H7 | 5.7° | 0.1° |
| C10 | C16 | C17 | H19 | 180.0° | 179.7° |
| C10 | C16 | C17 | C18 | 0.9° | 0.3° |
| C10 | C16 | C17 | H12 | 179.1° | 180.0° |
| C16 | C10 | C9 | H25 | 179.6° | 180.0° |
| C16 | C10 | N2 | H26 | 31.5° | 33.1° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C7 | C8 | C18 | C17 | 179.1° | 180.0° |
| C7 | C8 | C18 | N1 | 3.4° | 0.4° |
| C8 | C7 | C6 | N1 | 0.6° | 0.0° |
| C8 | C7 | C6 | H6 | 179.5° | 180.0° |
| C7 | C8 | C9 | H25 | 1.3° | 0.0° |
| C8 | C18 | C17 | C16 | 2.0° | 0.1° |
| C18 | C8 | C7 | C6 | 2.4° | 0.2° |
| C8 | C18 | C17 | N1 | 176.8° | 179.5° |
| C8 | C18 | N1 | C6 | 3.1° | 0.4° |
| C8 | C18 | N1 | C5 | 165.2° | 179.9° |
| C18 | C8 | C7 | H7 | 177.6° | 179.7° |
| C8 | C18 | C17 | H12 | 178.0° | 179.7° |
| C18 | C8 | C9 | H25 | 177.7° | 179.8° |
| C16 | C17 | C18 | H12 | 180.0° | 179.6° |
| C16 | C17 | C18 | N1 | 174.8° | 179.4° |
| C7 | C6 | N1 | C18 | 1.6° | 0.2° |
| C7 | C6 | N1 | H6 | 180.0° | 180.0° |
| C7 | C6 | N1 | C5 | 166.1° | 180.0° |
| C3 | C2 | N | H20 | 120.4° | 120.0° |
| C3 | C2 | N | H21 | 120.4° | 120.0° |
| C3 | C2 | N | C1 | 87.2° | 164.1° |
| C3 | C2 | N | C4 | 147.6° | 72.0° |
| C3 | C2 | H20 | H21 | 118.9° | 120.0° |
| C2 | C3 | H22 | H23 | 120.0° | 120.0° |
| C2 | C3 | H22 | H24 | 120.0° | 120.0° |
| C2 | C3 | H23 | H24 | 120.0° | 120.0° |
| C17 | C18 | N1 | C6 | 179.7° | 179.9° |
| C17 | C18 | N1 | C5 | 12.0° | 0.4° |
| C18 | C17 | C16 | H19 | 179.1° | 179.9° |
| C18 | N1 | C6 | C5 | 167.7° | 179.7° |
| C18 | N1 | C5 | C4 | 100.8° | 84.7° |
| C18 | N1 | C5 | H4 | 18.8° | 155.3° |
| C18 | N1 | C5 | H5 | 139.7° | 35.3° |
| C18 | N1 | C6 | H6 | 178.4° | 179.7° |
| N1 | C18 | C17 | H12 | 5.2° | 0.3° |
| C6 | N1 | C5 | C4 | 65.4° | 95.0° |
| C6 | N1 | C5 | H4 | 175.0° | 25.0° |
| C6 | N1 | C5 | H5 | 54.2° | 145.0° |
| N1 | C6 | C7 | H7 | 179.5° | 179.9° |
| C2 | N | C1 | C4 | 125.3° | 123.9° |
| C2 | N | C4 | C5 | 94.8° | 170.0° |
| C2 | N | C1 | C | 162.3° | 72.0° |
| C2 | N | C4 | H2 | 25.5° | 70.0° |
| C2 | N | C4 | H3 | 144.9° | 50.0° |
| C2 | N | C1 | H17 | 77.5° | 168.1° |
| C2 | N | C1 | H18 | 42.1° | 48.1° |
| N | C2 | H20 | H21 | 118.9° | 120.0° |
| N | C2 | C3 | H22 | 180.0° | 55.6° |
| N | C2 | C3 | H23 | 60.0° | 64.4° |
| N | C2 | C3 | H24 | 60.0° | 175.6° |
| N1 | C5 | C4 | N | 60.1° | 180.0° |
| N1 | C5 | C4 | H4 | 119.6° | 120.0° |
| N1 | C5 | C4 | H5 | 119.6° | 120.0° |
| N1 | C5 | C4 | H2 | 60.2° | 60.0° |
| N1 | C5 | C4 | H3 | 179.5° | 60.0° |
| N1 | C5 | H4 | H5 | 121.2° | 120.0° |
| C5 | N1 | C6 | H6 | 13.9° | 0.0° |
| C1 | N | C4 | C5 | 142.7° | 66.1° |
| N | C1 | C | H17 | 120.2° | 120.0° |
| N | C1 | C | H18 | 120.2° | 120.0° |
| C1 | N | C4 | H2 | 97.0° | 54.0° |
| C1 | N | C4 | H3 | 22.4° | 174.0° |
| N | C1 | C | H14 | 180.0° | 65.6° |
| N | C1 | C | H15 | 60.0° | 54.5° |
| N | C1 | C | H16 | 60.0° | 174.5° |
| N | C1 | H17 | H18 | 119.4° | 120.0° |
| C1 | N | C2 | H20 | 152.4° | 44.1° |
| C1 | N | C2 | H21 | 33.2° | 75.9° |
| N | C4 | C5 | H2 | 120.3° | 120.0° |
| N | C4 | C5 | H3 | 120.3° | 120.0° |
| C4 | N | C1 | C | 72.4° | 164.1° |
| N | C4 | H2 | H3 | 119.1° | 120.0° |
| N | C4 | C5 | H4 | 59.4° | 60.0° |
| N | C4 | C5 | H5 | 179.7° | 60.0° |
| C4 | N | C1 | H17 | 47.8° | 44.1° |
| C4 | N | C1 | H18 | 167.4° | 75.8° |
| C4 | N | C2 | H20 | 27.2° | 168.0° |
| C4 | N | C2 | H21 | 92.0° | 48.1° |
| C5 | C4 | H2 | H3 | 119.1° | 120.0° |
| C4 | C5 | H4 | H5 | 121.2° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H16 | 120.0° | 120.0° |
| C1 | C | H15 | H16 | 120.0° | 120.1° |
| C | C1 | H17 | H18 | 119.5° | 120.0° |
| H2 | C4 | C5 | H4 | 179.8° | 180.0° |
| H2 | C4 | C5 | H5 | 59.4° | 60.0° |
| H3 | C4 | C5 | H4 | 60.9° | 60.0° |
| H3 | C4 | C5 | H5 | 60.0° | 180.0° |
| H6 | C6 | C7 | H7 | 0.5° | 0.0° |
| H9 | C15 | H10 | H11 | 120.0° | 120.0° |
| H12 | C17 | C16 | H19 | 0.9° | 0.3° |
| H14 | C | H15 | H16 | 120.0° | 120.0° |
| H14 | C | C1 | H17 | 59.8° | 174.5° |
| H14 | C | C1 | H18 | 59.8° | 54.5° |
| H15 | C | C1 | H17 | 179.8° | 65.5° |
| H15 | C | C1 | H18 | 60.2° | 174.5° |
| H16 | C | C1 | H17 | 60.2° | 54.5° |
| H16 | C | C1 | H18 | 179.9° | 65.5° |
| H20 | C2 | C3 | H22 | 59.6° | 175.6° |
| H20 | C2 | C3 | H23 | 60.4° | 55.5° |
| H20 | C2 | C3 | H24 | 179.7° | 64.4° |
| H21 | C2 | C3 | H22 | 59.6° | 64.4° |
| H21 | C2 | C3 | H23 | 179.7° | 175.5° |
| H21 | C2 | C3 | H24 | 60.4° | 55.6° |
| H22 | C3 | H23 | H24 | 120.0° | 120.0° |
