L4V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.47Å | 1.52Å | |
| C1 | O2 | doub | 1.22Å | 1.22Å | |
| C1 | N | sing | 1.36Å | 1.35Å | |
| C2 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | C7 | doub | 1.41Å | 1.42Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.35Å | |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | O4 | sing | 1.36Å | 1.36Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | CL1 | sing | 1.74Å | 1.72Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | O5 | doub | 1.21Å | 1.21Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.50Å | 1.51Å | |
| C13 | C14 | doub | 1.30Å | 1.33Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | N | sing | 1.47Å | 1.46Å | |
| C17 | N | sing | 1.48Å | 1.46Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| O4 | HA | sing | 0.97Å | 0.95Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.08Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.10Å | 1.10Å | |
| C17 | H171 | sing | 1.10Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O2 | 117.4° | 119.4° |
| C2 | C1 | N | 119.7° | 121.1° |
| C1 | C2 | C3 | 120.8° | 122.5° |
| C1 | C2 | C7 | 120.8° | 118.5° |
| O2 | C1 | N | 122.9° | 119.4° |
| C1 | N | C18 | 122.5° | 122.6° |
| C1 | N | C17 | 121.3° | 117.5° |
| C3 | C2 | C7 | 118.4° | 119.0° |
| C2 | C3 | C4 | 121.4° | 120.4° |
| C2 | C3 | O3 | 120.7° | 120.7° |
| C2 | C7 | C6 | 118.0° | 120.1° |
| C2 | C7 | C8 | 123.3° | 119.9° |
| C4 | C3 | O3 | 117.8° | 118.9° |
| C3 | C4 | C5 | 119.9° | 120.0° |
| C3 | C4 | H4 | 120.0° | 119.9° |
| C3 | O3 | H3 | 109.5° | 114.0° |
| C4 | C5 | C6 | 119.2° | 120.1° |
| C4 | C5 | O4 | 120.8° | 120.0° |
| C5 | C4 | H4 | 120.0° | 120.1° |
| C6 | C5 | O4 | 119.9° | 119.9° |
| C5 | C6 | C7 | 123.0° | 120.3° |
| C5 | C6 | CL1 | 116.2° | 119.6° |
| C5 | O4 | HA | 109.5° | 114.0° |
| C7 | C6 | CL1 | 120.8° | 120.1° |
| C6 | C7 | C8 | 118.6° | 120.0° |
| C7 | C8 | C9 | 114.0° | 109.4° |
| C7 | C8 | H81C | 108.3° | 109.7° |
| C7 | C8 | H82C | 108.3° | 109.7° |
| C8 | C9 | C10 | 119.1° | 120.1° |
| C8 | C9 | O5 | 120.4° | 119.8° |
| C9 | C8 | H81C | 108.3° | 109.3° |
| C9 | C8 | H82C | 108.3° | 109.5° |
| C10 | C9 | O5 | 120.5° | 120.1° |
| C9 | C10 | C11 | 115.0° | 109.7° |
| C9 | C10 | H101 | 108.1° | 109.3° |
| C9 | C10 | H102 | 108.1° | 109.5° |
| C10 | C11 | C12 | 114.5° | 109.7° |
| C11 | C10 | H101 | 108.1° | 109.3° |
| C11 | C10 | H102 | 108.1° | 109.6° |
| C10 | C11 | H111 | 108.2° | 109.7° |
| C10 | C11 | H112 | 108.2° | 109.4° |
| C11 | C12 | C13 | 110.8° | 109.2° |
| C12 | C11 | H111 | 108.2° | 109.3° |
| C12 | C11 | H112 | 108.2° | 109.3° |
| C11 | C12 | H121 | 109.1° | 109.0° |
| C11 | C12 | H122 | 109.1° | 109.0° |
| C12 | C13 | C14 | 127.9° | 122.5° |
| C13 | C12 | H121 | 109.1° | 109.7° |
| C13 | C12 | H122 | 109.1° | 110.7° |
| C12 | C13 | H13 | 116.0° | 118.9° |
| C13 | C14 | C15 | 128.3° | 122.5° |
| C14 | C13 | H13 | 116.0° | 118.7° |
| C13 | C14 | H14 | 115.9° | 118.6° |
| C14 | C15 | C16 | 115.8° | 109.8° |
| C15 | C14 | H14 | 115.9° | 118.9° |
| C14 | C15 | H151 | 107.9° | 109.1° |
| C14 | C15 | H152 | 107.9° | 110.8° |
| C15 | C16 | C17 | 111.3° | 109.2° |
| C16 | C15 | H151 | 107.8° | 108.6° |
| C16 | C15 | H152 | 107.9° | 109.7° |
| C15 | C16 | H161 | 109.0° | 110.4° |
| C15 | C16 | H162 | 109.0° | 108.6° |
| C16 | C17 | N | 114.3° | 111.6° |
| C17 | C16 | H161 | 109.0° | 111.3° |
| C17 | C16 | H162 | 109.0° | 108.9° |
| C16 | C17 | H171 | 108.2° | 109.1° |
| C16 | C17 | H172 | 108.3° | 109.6° |
| C18 | N | C17 | 116.2° | 119.9° |
| N | C18 | H181 | 109.5° | 109.5° |
| N | C18 | H182 | 109.5° | 109.5° |
| N | C18 | H183 | 109.5° | 109.4° |
| N | C17 | H171 | 108.2° | 108.8° |
| N | C17 | H172 | 108.2° | 109.3° |
| H81C | C8 | H82C | 109.5° | 109.2° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.3° |
| H121 | C12 | H122 | 109.5° | 109.3° |
| H151 | C15 | H152 | 109.5° | 108.8° |
| H161 | C16 | H162 | 109.5° | 108.5° |
| H171 | C17 | H172 | 109.5° | 108.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.4° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O2 | N | 177.3° | 175.4° |
| C1 | C2 | C3 | C7 | 178.8° | 179.0° |
| C1 | C2 | C3 | C4 | 177.4° | 177.2° |
| C1 | C2 | C3 | O3 | 5.4° | 5.0° |
| C1 | C2 | C7 | C6 | 178.5° | 177.5° |
| C1 | C2 | C7 | C8 | 0.7° | 3.7° |
| C2 | C1 | N | C18 | 26.7° | 15.4° |
| C2 | C1 | N | C17 | 154.3° | 165.4° |
| O2 | C1 | C2 | C3 | 70.3° | 135.7° |
| O2 | C1 | C2 | C7 | 110.9° | 43.3° |
| O2 | C1 | N | C18 | 150.5° | 159.9° |
| O2 | C1 | N | C17 | 28.4° | 19.3° |
| N | C1 | C2 | C3 | 107.1° | 48.9° |
| N | C1 | C2 | C7 | 71.7° | 132.0° |
| C1 | N | C17 | C16 | 100.5° | 27.2° |
| C1 | N | C18 | C17 | 179.0° | 179.1° |
| C1 | N | C17 | H171 | 138.8° | 147.7° |
| C1 | N | C17 | H172 | 20.2° | 94.1° |
| C1 | N | C18 | H181 | 180.0° | 0.0° |
| C1 | N | C18 | H182 | 60.0° | 120.0° |
| C1 | N | C18 | H183 | 60.0° | 120.0° |
| C2 | C3 | C4 | O3 | 177.2° | 177.9° |
| C2 | C3 | C4 | C5 | 1.0° | 1.8° |
| C3 | C2 | C7 | C6 | 0.3° | 3.4° |
| C3 | C2 | C7 | C8 | 178.1° | 175.4° |
| C2 | C3 | C4 | H4 | 179.0° | 178.4° |
| C2 | C3 | O3 | H3 | 180.0° | 90.0° |
| C7 | C2 | C3 | C4 | 1.4° | 3.8° |
| C7 | C2 | C3 | O3 | 175.8° | 174.0° |
| C2 | C7 | C6 | C5 | 1.2° | 1.0° |
| C2 | C7 | C6 | C8 | 177.9° | 178.7° |
| C2 | C7 | C6 | CL1 | 178.7° | 179.0° |
| C2 | C7 | C8 | C9 | 108.0° | 82.9° |
| C2 | C7 | C8 | H81C | 131.4° | 157.1° |
| C2 | C7 | C8 | H82C | 12.7° | 37.2° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.7° |
| C3 | C4 | C5 | O4 | 177.1° | 179.5° |
| C4 | C3 | O3 | H3 | 2.7° | 92.2° |
| O3 | C3 | C4 | C5 | 176.2° | 176.1° |
| O3 | C3 | C4 | H4 | 3.8° | 3.8° |
| C4 | C5 | C6 | O4 | 177.5° | 179.8° |
| C4 | C5 | C6 | C7 | 1.6° | 1.1° |
| C4 | C5 | C6 | CL1 | 178.3° | 179.0° |
| C4 | C5 | O4 | HA | 180.0° | 90.1° |
| C5 | C6 | C7 | CL1 | 179.9° | 179.9° |
| C5 | C6 | C7 | C8 | 176.7° | 177.8° |
| C6 | C5 | C4 | H4 | 179.6° | 179.2° |
| C6 | C5 | O4 | HA | 2.5° | 90.2° |
| O4 | C5 | C6 | C7 | 176.0° | 179.1° |
| O4 | C5 | C6 | CL1 | 4.2° | 0.8° |
| O4 | C5 | C4 | H4 | 2.9° | 0.6° |
| C6 | C7 | C8 | C9 | 69.8° | 95.8° |
| C6 | C7 | C8 | H81C | 50.9° | 24.2° |
| C6 | C7 | C8 | H82C | 169.6° | 144.1° |
| CL1 | C6 | C7 | C8 | 3.4° | 2.3° |
| C7 | C8 | C9 | H81C | 120.7° | 120.2° |
| C7 | C8 | C9 | H82C | 120.7° | 120.3° |
| C7 | C8 | C9 | C10 | 155.7° | 174.1° |
| C7 | C8 | C9 | O5 | 23.1° | 6.1° |
| C7 | C8 | H81C | H82C | 118.0° | 120.3° |
| C8 | C9 | C10 | O5 | 178.7° | 179.7° |
| C8 | C9 | C10 | C11 | 89.5° | 134.0° |
| C9 | C8 | H81C | H82C | 117.9° | 119.7° |
| C8 | C9 | C10 | H101 | 149.7° | 106.1° |
| C8 | C9 | C10 | H102 | 31.3° | 13.7° |
| C9 | C10 | C11 | H101 | 120.8° | 119.9° |
| C9 | C10 | C11 | H102 | 120.8° | 120.2° |
| C9 | C10 | C11 | C12 | 72.3° | 86.0° |
| C10 | C9 | C8 | H81C | 35.0° | 65.6° |
| C10 | C9 | C8 | H82C | 83.7° | 53.9° |
| C9 | C10 | H101 | H102 | 117.5° | 119.9° |
| C9 | C10 | C11 | H111 | 167.0° | 34.1° |
| C9 | C10 | C11 | H112 | 48.4° | 154.0° |
| O5 | C9 | C10 | C11 | 91.7° | 46.3° |
| O5 | C9 | C8 | H81C | 143.7° | 114.1° |
| O5 | C9 | C8 | H82C | 97.6° | 126.4° |
| O5 | C9 | C10 | H101 | 29.0° | 73.6° |
| O5 | C9 | C10 | H102 | 147.4° | 166.6° |
| C10 | C11 | C12 | H111 | 120.7° | 120.4° |
| C10 | C11 | C12 | H112 | 120.7° | 120.0° |
| C10 | C11 | C12 | C13 | 160.3° | 150.4° |
| C11 | C10 | H101 | H102 | 117.5° | 120.0° |
| C10 | C11 | H111 | H112 | 117.7° | 120.0° |
| C10 | C11 | C12 | H121 | 40.1° | 89.8° |
| C10 | C11 | C12 | H122 | 79.5° | 29.4° |
| C11 | C12 | C13 | H121 | 120.2° | 119.4° |
| C11 | C12 | C13 | H122 | 120.2° | 120.0° |
| C11 | C12 | C13 | C14 | 89.5° | 143.1° |
| C12 | C11 | C10 | H101 | 48.5° | 154.1° |
| C12 | C11 | C10 | H102 | 166.9° | 34.2° |
| C12 | C11 | H111 | H112 | 117.7° | 119.6° |
| C11 | C12 | H121 | H122 | 119.4° | 119.0° |
| C11 | C12 | C13 | H13 | 90.5° | 37.3° |
| C12 | C13 | C14 | H13 | 180.0° | 179.6° |
| C12 | C13 | C14 | C15 | 1.9° | 0.0° |
| C13 | C12 | C11 | H111 | 79.0° | 30.0° |
| C13 | C12 | C11 | H112 | 39.5° | 89.6° |
| C13 | C12 | H121 | H122 | 119.4° | 121.5° |
| C12 | C13 | C14 | H14 | 178.1° | 179.9° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 79.8° | 118.6° |
| C14 | C13 | C12 | H121 | 30.6° | 97.6° |
| C14 | C13 | C12 | H122 | 150.3° | 23.1° |
| C13 | C14 | C15 | H151 | 41.2° | 122.5° |
| C13 | C14 | C15 | H152 | 159.3° | 2.7° |
| C14 | C15 | C16 | H151 | 120.9° | 119.2° |
| C14 | C15 | C16 | H152 | 120.9° | 122.0° |
| C14 | C15 | C16 | C17 | 173.6° | 165.2° |
| C15 | C14 | C13 | H13 | 178.1° | 179.6° |
| C14 | C15 | H151 | H152 | 117.1° | 121.0° |
| C14 | C15 | C16 | H161 | 53.4° | 42.5° |
| C14 | C15 | C16 | H162 | 66.1° | 76.3° |
| C15 | C16 | C17 | H161 | 120.3° | 122.1° |
| C15 | C16 | C17 | H162 | 120.3° | 118.4° |
| C15 | C16 | C17 | N | 100.9° | 110.4° |
| C16 | C15 | C14 | H14 | 100.2° | 61.5° |
| C16 | C15 | H151 | H152 | 117.1° | 119.3° |
| C15 | C16 | H161 | H162 | 119.2° | 118.9° |
| C15 | C16 | C17 | H171 | 19.8° | 129.3° |
| C15 | C16 | C17 | H172 | 138.4° | 10.8° |
| C16 | C17 | N | C18 | 80.4° | 153.6° |
| C16 | C17 | N | H171 | 120.7° | 120.5° |
| C16 | C17 | N | H172 | 120.7° | 121.4° |
| C17 | C16 | C15 | H151 | 65.4° | 75.6° |
| C17 | C16 | C15 | H152 | 52.7° | 43.2° |
| C17 | C16 | H161 | H162 | 119.2° | 119.7° |
| C16 | C17 | H171 | H172 | 117.8° | 119.3° |
| C18 | N | C17 | H171 | 40.3° | 33.1° |
| C18 | N | C17 | H172 | 158.9° | 85.1° |
| N | C18 | H181 | H182 | 120.0° | 120.0° |
| N | C18 | H181 | H183 | 120.0° | 120.0° |
| N | C18 | H182 | H183 | 120.0° | 119.9° |
| N | C17 | C16 | H161 | 138.8° | 11.7° |
| N | C17 | C16 | H162 | 19.4° | 131.2° |
| N | C17 | H171 | H172 | 117.8° | 118.7° |
| C17 | N | C18 | H181 | 1.0° | 179.1° |
| C17 | N | C18 | H182 | 119.0° | 60.8° |
| C17 | N | C18 | H183 | 121.0° | 59.1° |
| H101 | C10 | C11 | H111 | 72.2° | 85.8° |
| H101 | C10 | C11 | H112 | 169.2° | 34.1° |
| H102 | C10 | C11 | H111 | 46.2° | 154.3° |
| H102 | C10 | C11 | H112 | 72.4° | 85.7° |
| H111 | C11 | C12 | H121 | 160.8° | 149.8° |
| H111 | C11 | C12 | H122 | 41.2° | 91.0° |
| H112 | C11 | C12 | H121 | 80.6° | 30.2° |
| H112 | C11 | C12 | H122 | 159.7° | 149.4° |
| H121 | C12 | C13 | H13 | 149.4° | 82.0° |
| H122 | C12 | C13 | H13 | 29.7° | 157.3° |
| H13 | C13 | C14 | H14 | 1.9° | 0.3° |
| H14 | C14 | C15 | H151 | 138.9° | 57.4° |
| H14 | C14 | C15 | H152 | 20.7° | 177.2° |
| H151 | C15 | C16 | H161 | 174.3° | 161.7° |
| H151 | C15 | C16 | H162 | 54.9° | 43.0° |
| H152 | C15 | C16 | H161 | 67.6° | 79.5° |
| H152 | C15 | C16 | H162 | 173.0° | 161.7° |
| H161 | C16 | C17 | H171 | 100.5° | 108.6° |
| H161 | C16 | C17 | H172 | 18.1° | 132.9° |
| H162 | C16 | C17 | H171 | 140.1° | 10.9° |
| H162 | C16 | C17 | H172 | 101.3° | 107.6° |
| H181 | C18 | H182 | H183 | 120.0° | 120.1° |
