V18
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C13 | doub | 1.31Å | 1.32Å | Aromatic |
| N3 | C12 | sing | 1.33Å | 1.34Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.37Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C19 | sing | 1.42Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.36Å | 1.36Å | Aromatic |
| C11 | C19 | sing | 1.41Å | 1.43Å | Aromatic |
| C11 | N2 | sing | 1.40Å | 1.44Å | |
| C19 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| O2 | C10 | doub | 1.21Å | 1.22Å | |
| N2 | C10 | sing | 1.35Å | 1.40Å | |
| N2 | C1 | sing | 1.34Å | 1.40Å | |
| C10 | C2 | sing | 1.51Å | 1.49Å | |
| C18 | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| O1 | C1 | doub | 1.22Å | 1.21Å | |
| C1 | N1 | sing | 1.35Å | 1.36Å | |
| C9 | C2 | sing | 1.53Å | 1.55Å | |
| C9 | C4 | sing | 1.54Å | 1.54Å | |
| C2 | N1 | sing | 1.46Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C6 | C5 | sing | 1.54Å | 1.54Å | |
| C6 | C7 | sing | 1.54Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.54Å | 1.54Å | |
| C5 | C8 | sing | 1.54Å | 1.53Å | |
| C7 | C8 | sing | 1.54Å | 1.54Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N3 | C12 | 118.8° | 122.9° |
| N3 | C13 | C14 | 124.9° | 120.0° |
| N3 | C13 | H12 | 117.6° | 120.0° |
| N3 | C12 | C11 | 122.3° | 121.8° |
| N3 | C12 | H11 | 118.8° | 119.1° |
| C13 | C14 | C15 | 123.5° | 122.1° |
| C13 | C14 | C19 | 117.0° | 118.6° |
| C14 | C13 | H12 | 117.6° | 120.0° |
| C12 | C11 | C19 | 119.7° | 118.5° |
| C12 | C11 | N2 | 120.3° | 120.8° |
| C11 | C12 | H11 | 118.8° | 119.1° |
| C15 | C14 | C19 | 119.5° | 119.3° |
| C14 | C15 | C16 | 120.1° | 119.5° |
| C14 | C15 | H16 | 120.0° | 120.2° |
| C14 | C19 | C11 | 117.3° | 118.2° |
| C14 | C19 | C18 | 118.9° | 119.6° |
| C15 | C16 | C17 | 120.6° | 121.1° |
| C16 | C15 | H16 | 120.0° | 120.3° |
| C15 | C16 | H17 | 119.7° | 119.4° |
| C19 | C11 | N2 | 120.0° | 120.7° |
| C11 | C19 | C18 | 123.8° | 122.2° |
| C11 | N2 | C10 | 123.8° | 124.2° |
| C11 | N2 | C1 | 126.1° | 124.2° |
| C19 | C18 | C17 | 120.3° | 119.5° |
| C19 | C18 | H19 | 119.9° | 120.3° |
| C16 | C17 | C18 | 120.6° | 120.9° |
| C17 | C16 | H17 | 119.7° | 119.5° |
| C16 | C17 | H18 | 119.7° | 119.5° |
| O2 | C10 | N2 | 124.1° | 127.4° |
| O2 | C10 | C2 | 125.1° | 127.4° |
| C10 | N2 | C1 | 107.5° | 111.5° |
| N2 | C10 | C2 | 110.8° | 105.2° |
| N2 | C1 | O1 | 125.3° | 123.7° |
| N2 | C1 | N1 | 107.6° | 112.4° |
| C10 | C2 | C9 | 115.0° | 116.0° |
| C10 | C2 | N1 | 99.2° | 104.7° |
| C10 | C2 | C3 | 116.3° | 116.0° |
| C18 | C17 | H18 | 119.7° | 119.5° |
| C17 | C18 | H19 | 119.9° | 120.2° |
| O1 | C1 | N1 | 127.1° | 123.8° |
| C1 | N1 | C2 | 113.7° | 106.1° |
| C1 | N1 | H13 | 123.1° | 126.9° |
| C2 | C9 | C4 | 89.7° | 86.8° |
| C9 | C2 | N1 | 118.6° | 116.1° |
| C9 | C2 | C3 | 89.1° | 88.1° |
| C2 | C9 | H9 | 114.2° | 113.6° |
| C2 | C9 | H10 | 114.2° | 113.6° |
| C9 | C4 | C5 | 116.3° | 113.6° |
| C9 | C4 | C3 | 89.6° | 87.2° |
| C9 | C4 | H1 | 110.0° | 113.7° |
| C4 | C9 | H9 | 114.1° | 113.7° |
| C4 | C9 | H10 | 114.2° | 113.6° |
| N1 | C2 | C3 | 119.9° | 116.1° |
| C2 | N1 | H13 | 123.2° | 127.0° |
| C2 | C3 | C4 | 89.6° | 86.8° |
| C2 | C3 | H14 | 114.2° | 113.7° |
| C2 | C3 | H15 | 114.2° | 113.8° |
| C5 | C6 | C7 | 88.5° | 87.1° |
| C6 | C5 | C4 | 117.4° | 113.6° |
| C6 | C5 | C8 | 88.3° | 87.1° |
| C6 | C5 | H2 | 110.8° | 113.6° |
| C5 | C6 | H3 | 114.4° | 113.6° |
| C5 | C6 | H4 | 114.4° | 113.7° |
| C6 | C7 | C8 | 88.2° | 87.1° |
| C7 | C6 | H3 | 114.4° | 113.6° |
| C7 | C6 | H4 | 114.4° | 113.6° |
| C6 | C7 | H5 | 114.5° | 113.6° |
| C6 | C7 | H6 | 114.5° | 113.6° |
| C5 | C4 | C3 | 119.5° | 113.6° |
| C4 | C5 | C8 | 117.1° | 113.6° |
| C5 | C4 | H1 | 109.9° | 112.8° |
| C4 | C5 | H2 | 110.6° | 112.8° |
| C3 | C4 | H1 | 110.0° | 113.6° |
| C4 | C3 | H14 | 114.2° | 113.6° |
| C4 | C3 | H15 | 114.2° | 113.6° |
| C5 | C8 | C7 | 88.6° | 87.1° |
| C8 | C5 | H2 | 110.9° | 113.6° |
| C5 | C8 | H7 | 114.4° | 113.7° |
| C5 | C8 | H8 | 114.4° | 113.6° |
| C8 | C7 | H5 | 114.5° | 113.6° |
| C8 | C7 | H6 | 114.5° | 113.6° |
| C7 | C8 | H7 | 114.4° | 113.6° |
| C7 | C8 | H8 | 114.4° | 113.6° |
| H3 | C6 | H4 | 109.5° | 112.9° |
| H5 | C7 | H6 | 109.5° | 112.9° |
| H7 | C8 | H8 | 109.5° | 112.9° |
| H9 | C9 | H10 | 109.5° | 112.9° |
| H14 | C3 | H15 | 109.4° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C13 | C14 | H12 | 180.0° | 180.0° |
| C13 | N3 | C12 | C11 | 0.7° | 0.3° |
| N3 | C13 | C14 | C15 | 179.6° | 180.0° |
| N3 | C13 | C14 | C19 | 0.4° | 0.2° |
| C13 | N3 | C12 | H11 | 179.3° | 180.0° |
| C12 | N3 | C13 | C14 | 0.5° | 0.0° |
| N3 | C12 | C11 | H11 | 180.0° | 179.7° |
| N3 | C12 | C11 | C19 | 0.8° | 0.3° |
| N3 | C12 | C11 | N2 | 179.5° | 179.7° |
| C12 | N3 | C13 | H12 | 179.5° | 180.0° |
| C13 | C14 | C15 | C19 | 180.0° | 179.8° |
| C13 | C14 | C15 | C16 | 179.9° | 179.7° |
| C13 | C14 | C19 | C11 | 0.4° | 0.2° |
| C13 | C14 | C19 | C18 | 179.9° | 179.7° |
| C13 | C14 | C15 | H16 | 0.1° | 0.2° |
| C12 | C11 | C19 | C14 | 0.6° | 0.0° |
| C12 | C11 | C19 | N2 | 178.7° | 180.0° |
| C12 | C11 | C19 | C18 | 179.7° | 179.9° |
| C12 | C11 | N2 | C10 | 63.9° | 90.0° |
| C12 | C11 | N2 | C1 | 95.3° | 90.0° |
| C14 | C15 | C16 | H16 | 180.0° | 179.9° |
| C15 | C14 | C19 | C11 | 179.6° | 180.0° |
| C15 | C14 | C19 | C18 | 0.1° | 0.1° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C15 | C14 | C13 | H12 | 0.3° | 0.0° |
| C14 | C15 | C16 | H17 | 180.0° | 180.0° |
| C19 | C14 | C15 | C16 | 0.2° | 0.1° |
| C14 | C19 | C11 | C18 | 179.6° | 179.9° |
| C14 | C19 | C11 | N2 | 179.3° | 180.0° |
| C14 | C19 | C18 | C17 | 0.5° | 0.0° |
| C19 | C14 | C13 | H12 | 179.6° | 179.8° |
| C19 | C14 | C15 | H16 | 179.9° | 180.0° |
| C14 | C19 | C18 | H19 | 179.5° | 179.9° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.5° | 0.0° |
| C15 | C16 | C17 | H18 | 179.5° | 180.0° |
| C19 | C11 | N2 | C10 | 114.7° | 90.0° |
| C19 | C11 | N2 | C1 | 86.0° | 90.0° |
| C11 | C19 | C18 | C17 | 179.2° | 179.9° |
| C19 | C11 | C12 | H11 | 179.2° | 180.0° |
| C11 | C19 | C18 | H19 | 0.9° | 0.0° |
| N2 | C11 | C19 | C18 | 1.0° | 0.1° |
| C11 | N2 | C10 | O2 | 8.5° | 0.0° |
| C11 | N2 | C10 | C1 | 162.6° | 180.0° |
| C11 | N2 | C10 | C2 | 172.0° | 180.0° |
| C11 | N2 | C1 | O1 | 6.0° | 0.0° |
| C11 | N2 | C1 | N1 | 173.5° | 180.0° |
| N2 | C11 | C12 | H11 | 0.5° | 0.0° |
| C19 | C18 | C17 | C16 | 0.7° | 0.0° |
| C19 | C18 | C17 | H19 | 180.0° | 180.0° |
| C19 | C18 | C17 | H18 | 179.3° | 180.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | H16 | 179.9° | 179.9° |
| C16 | C17 | C18 | H19 | 179.3° | 180.0° |
| O2 | C10 | N2 | C2 | 179.5° | 179.9° |
| O2 | C10 | N2 | C1 | 171.1° | 180.0° |
| O2 | C10 | C2 | C9 | 49.2° | 50.6° |
| O2 | C10 | C2 | N1 | 176.9° | 180.0° |
| O2 | C10 | C2 | C3 | 53.0° | 50.7° |
| C10 | N2 | C1 | O1 | 168.0° | 180.0° |
| C10 | N2 | C1 | N1 | 11.5° | 0.0° |
| N2 | C10 | C2 | C9 | 131.3° | 129.3° |
| N2 | C10 | C2 | N1 | 3.6° | 0.0° |
| N2 | C10 | C2 | C3 | 126.5° | 129.4° |
| C1 | N2 | C10 | C2 | 9.4° | 0.0° |
| N2 | C1 | O1 | N1 | 179.4° | 180.0° |
| N2 | C1 | N1 | C2 | 9.7° | 0.0° |
| N2 | C1 | N1 | H13 | 170.3° | 180.0° |
| C10 | C2 | N1 | C1 | 3.8° | 0.0° |
| C10 | C2 | C9 | N1 | 117.2° | 123.6° |
| C10 | C2 | C9 | C3 | 118.8° | 118.1° |
| C10 | C2 | C9 | C4 | 129.5° | 143.0° |
| C10 | C2 | N1 | C3 | 127.7° | 129.2° |
| C10 | C2 | C3 | C4 | 128.4° | 143.0° |
| C10 | C2 | C9 | H9 | 114.0° | 28.4° |
| C10 | C2 | C9 | H10 | 13.0° | 102.6° |
| C10 | C2 | N1 | H13 | 176.2° | 179.9° |
| C10 | C2 | C3 | H14 | 11.9° | 102.6° |
| C10 | C2 | C3 | H15 | 115.1° | 28.5° |
| C18 | C17 | C16 | H17 | 179.6° | 180.0° |
| O1 | C1 | N1 | C2 | 169.8° | 180.0° |
| O1 | C1 | N1 | H13 | 10.2° | 0.1° |
| C1 | N1 | C2 | C9 | 121.4° | 129.3° |
| C1 | N1 | C2 | H13 | 180.0° | 179.9° |
| C1 | N1 | C2 | C3 | 131.5° | 129.3° |
| C2 | C9 | C4 | H9 | 116.5° | 114.5° |
| C2 | C9 | C4 | H10 | 116.5° | 114.5° |
| C9 | C2 | N1 | C3 | 107.0° | 101.5° |
| C2 | C9 | C4 | C5 | 133.9° | 139.3° |
| C2 | C9 | C4 | C3 | 10.8° | 24.7° |
| C2 | C9 | C4 | H1 | 100.4° | 89.9° |
| C2 | C9 | H9 | H10 | 129.4° | 131.4° |
| C9 | C2 | N1 | H13 | 58.5° | 50.8° |
| C9 | C2 | C3 | H14 | 105.8° | 139.3° |
| C9 | C2 | C3 | H15 | 127.2° | 89.6° |
| C4 | C9 | C2 | N1 | 113.3° | 93.4° |
| C9 | C4 | C5 | C6 | 50.1° | 104.8° |
| C9 | C4 | C5 | C3 | 105.7° | 97.6° |
| C9 | C4 | C5 | H1 | 125.7° | 131.2° |
| C9 | C4 | C3 | H1 | 111.2° | 114.7° |
| C9 | C4 | C5 | C8 | 153.3° | 157.6° |
| C9 | C4 | C5 | H2 | 78.3° | 26.4° |
| C4 | C9 | H9 | H10 | 129.4° | 131.4° |
| C9 | C4 | C3 | H14 | 105.7° | 139.2° |
| C9 | C4 | C3 | H15 | 127.3° | 89.9° |
| N1 | C2 | C3 | C4 | 112.2° | 93.4° |
| N1 | C2 | C9 | H9 | 3.2° | 152.1° |
| N1 | C2 | C9 | H10 | 130.2° | 21.1° |
| N1 | C2 | C3 | H14 | 131.3° | 21.0° |
| N1 | C2 | C3 | H15 | 4.3° | 152.1° |
| C2 | C3 | C4 | C5 | 131.1° | 139.3° |
| C2 | C3 | C4 | H14 | 116.5° | 114.5° |
| C2 | C3 | C4 | H15 | 116.5° | 114.6° |
| C2 | C3 | C4 | H1 | 100.4° | 90.0° |
| C3 | C2 | C9 | H9 | 127.2° | 89.7° |
| C3 | C2 | C9 | H10 | 105.8° | 139.3° |
| C3 | C2 | N1 | H13 | 48.5° | 50.7° |
| C2 | C3 | H14 | H15 | 129.4° | 131.5° |
| C5 | C6 | C7 | H3 | 116.3° | 114.5° |
| C5 | C6 | C7 | H4 | 116.3° | 114.6° |
| C6 | C5 | C4 | C8 | 103.2° | 97.5° |
| C6 | C5 | C4 | H2 | 128.5° | 131.3° |
| C6 | C5 | C4 | C3 | 155.8° | 157.5° |
| C6 | C5 | C8 | H2 | 111.6° | 114.6° |
| C5 | C6 | C7 | C8 | 18.9° | 25.4° |
| C6 | C5 | C4 | H1 | 75.6° | 26.4° |
| C5 | C6 | H3 | H4 | 130.0° | 131.3° |
| C5 | C6 | C7 | H5 | 97.4° | 140.0° |
| C5 | C6 | C7 | H6 | 135.1° | 89.1° |
| C6 | C5 | C8 | H7 | 97.4° | 140.0° |
| C6 | C5 | C8 | H8 | 135.2° | 89.1° |
| C7 | C6 | C5 | C4 | 100.9° | 140.0° |
| C6 | C7 | C8 | H5 | 116.2° | 114.6° |
| C6 | C7 | C8 | H6 | 116.2° | 114.5° |
| C7 | C6 | C5 | H2 | 130.7° | 89.2° |
| C7 | C6 | H3 | H4 | 130.0° | 131.2° |
| C6 | C7 | H5 | H6 | 130.1° | 131.3° |
| C6 | C7 | C8 | H7 | 97.4° | 140.0° |
| C6 | C7 | C8 | H8 | 135.2° | 89.1° |
| C5 | C4 | C3 | H1 | 128.5° | 130.8° |
| C4 | C5 | C8 | H2 | 128.2° | 130.8° |
| C4 | C5 | C8 | C7 | 101.2° | 140.0° |
| C4 | C5 | C6 | H3 | 15.3° | 25.4° |
| C4 | C5 | C6 | H4 | 142.8° | 105.4° |
| C4 | C5 | C8 | H7 | 142.5° | 105.5° |
| C4 | C5 | C8 | H8 | 15.0° | 25.5° |
| C5 | C4 | C9 | H9 | 109.6° | 24.8° |
| C5 | C4 | C9 | H10 | 17.4° | 106.3° |
| C5 | C4 | C3 | H14 | 14.6° | 106.2° |
| C5 | C4 | C3 | H15 | 112.4° | 24.7° |
| C3 | C4 | C5 | C8 | 101.0° | 60.0° |
| C3 | C4 | C5 | H2 | 27.4° | 71.2° |
| C3 | C4 | C9 | H9 | 127.3° | 89.8° |
| C3 | C4 | C9 | H10 | 105.7° | 139.1° |
| C4 | C3 | H14 | H15 | 129.4° | 131.3° |
| C5 | C8 | C7 | H7 | 116.3° | 114.6° |
| C5 | C8 | C7 | H8 | 116.3° | 114.5° |
| C8 | C5 | C4 | H1 | 27.6° | 71.1° |
| C8 | C5 | C6 | H3 | 135.2° | 89.2° |
| C8 | C5 | C6 | H4 | 97.3° | 140.0° |
| C5 | C8 | C7 | H5 | 97.3° | 140.0° |
| C5 | C8 | C7 | H6 | 135.1° | 89.1° |
| C5 | C8 | H7 | H8 | 129.9° | 131.3° |
| C7 | C8 | C5 | H2 | 130.5° | 89.2° |
| C8 | C7 | C6 | H3 | 135.1° | 89.1° |
| C8 | C7 | C6 | H4 | 97.4° | 140.0° |
| C8 | C7 | H5 | H6 | 130.1° | 131.2° |
| C7 | C8 | H7 | H8 | 129.9° | 131.2° |
| H1 | C4 | C5 | H2 | 155.9° | 157.7° |
| H1 | C4 | C9 | H9 | 16.1° | 155.6° |
| H1 | C4 | C9 | H10 | 143.2° | 24.5° |
| H1 | C4 | C3 | H14 | 143.1° | 24.5° |
| H1 | C4 | C3 | H15 | 16.1° | 155.4° |
| H2 | C5 | C6 | H3 | 113.1° | 156.3° |
| H2 | C5 | C6 | H4 | 14.4° | 25.4° |
| H2 | C5 | C8 | H7 | 14.3° | 25.4° |
| H2 | C5 | C8 | H8 | 113.2° | 156.3° |
| H3 | C6 | C7 | H5 | 18.9° | 25.4° |
| H3 | C6 | C7 | H6 | 108.7° | 156.3° |
| H4 | C6 | C7 | H5 | 146.4° | 105.4° |
| H4 | C6 | C7 | H6 | 18.8° | 25.5° |
| H5 | C7 | C8 | H7 | 146.4° | 105.4° |
| H5 | C7 | C8 | H8 | 19.0° | 25.5° |
| H6 | C7 | C8 | H7 | 18.8° | 25.5° |
| H6 | C7 | C8 | H8 | 108.6° | 156.3° |
| H16 | C15 | C16 | H17 | 0.0° | 0.0° |
| H17 | C16 | C17 | H18 | 0.5° | 0.0° |
| H18 | C17 | C18 | H19 | 0.7° | 0.0° |
