L20
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.47Å | 1.48Å | |
| C1 | H1C1 | sing | 1.10Å | 1.12Å | |
| C1 | H1C2 | sing | 1.10Å | 1.12Å | |
| C1 | H1C3 | sing | 1.10Å | 1.11Å | |
| C2 | N3 | doub | 1.33Å | 1.31Å | Aromatic |
| C2 | C11 | sing | 1.41Å | 1.46Å | Aromatic |
| N3 | N4 | sing | 1.34Å | 1.41Å | Aromatic |
| N4 | C6 | sing | 1.37Å | 1.38Å | Aromatic |
| N4 | H4 | sing | 1.01Å | 1.02Å | |
| C6 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.36Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C12 | sing | 1.44Å | 1.50Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C36 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | N14 | doub | 1.35Å | 1.32Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| N14 | C15 | sing | 1.35Å | 1.31Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | O17 | sing | 1.37Å | 1.35Å | |
| C16 | C36 | sing | 1.38Å | 1.37Å | Aromatic |
| O17 | C18 | sing | 1.42Å | 1.40Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.10Å | 1.12Å | |
| C19 | N21 | sing | 1.45Å | 1.46Å | |
| C19 | C25 | sing | 1.55Å | 1.52Å | |
| C19 | H19 | sing | 1.10Å | 1.11Å | |
| N21 | H211 | sing | 1.00Å | 1.02Å | |
| N21 | H212 | sing | 1.00Å | 1.02Å | |
| C25 | C26 | sing | 1.48Å | 1.51Å | |
| C25 | H251 | sing | 1.11Å | 1.11Å | |
| C25 | H252 | sing | 1.11Å | 1.12Å | |
| C26 | C27 | doub | 1.38Å | 1.36Å | Aromatic |
| C26 | C35 | sing | 1.42Å | 1.47Å | Aromatic |
| C27 | N28 | sing | 1.37Å | 1.38Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| N28 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| N28 | H28 | sing | 1.01Å | 1.02Å | |
| C30 | C31 | doub | 1.40Å | 1.41Å | Aromatic |
| C30 | C35 | sing | 1.40Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.40Å | 1.39Å | Aromatic |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | doub | 1.41Å | 1.42Å | Aromatic |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1C1 | 105.8° | 111.3° |
| C2 | C1 | H1C2 | 105.8° | 112.1° |
| C2 | C1 | H1C3 | 127.7° | 112.1° |
| C1 | C2 | N3 | 127.7° | 119.5° |
| C1 | C2 | C11 | 124.9° | 127.7° |
| H1C1 | C1 | H1C2 | 103.5° | 107.6° |
| H1C1 | C1 | H1C3 | 105.8° | 107.6° |
| H1C2 | C1 | H1C3 | 105.8° | 105.9° |
| N3 | C2 | C11 | 107.4° | 112.9° |
| C2 | N3 | N4 | 110.9° | 103.4° |
| C2 | C11 | C6 | 106.7° | 104.3° |
| C2 | C11 | C10 | 131.8° | 136.4° |
| N3 | N4 | C6 | 107.7° | 114.2° |
| N3 | N4 | H4 | 112.8° | 118.2° |
| C6 | N4 | H4 | 112.9° | 127.7° |
| N4 | C6 | C7 | 133.3° | 131.6° |
| N4 | C6 | C11 | 107.3° | 105.3° |
| C7 | C6 | C11 | 119.3° | 123.1° |
| C6 | C7 | C8 | 119.3° | 116.9° |
| C6 | C7 | H7 | 121.0° | 121.8° |
| C6 | C11 | C10 | 121.5° | 119.3° |
| C8 | C7 | H7 | 119.6° | 121.2° |
| C7 | C8 | C9 | 122.0° | 121.3° |
| C7 | C8 | H8 | 117.3° | 118.5° |
| C9 | C8 | H8 | 120.7° | 120.2° |
| C8 | C9 | C10 | 119.2° | 120.6° |
| C8 | C9 | C12 | 120.0° | 119.8° |
| C10 | C9 | C12 | 120.7° | 119.6° |
| C9 | C10 | C11 | 118.5° | 118.7° |
| C9 | C10 | H10 | 120.7° | 120.9° |
| C9 | C12 | C13 | 123.2° | 121.0° |
| C9 | C12 | C36 | 118.7° | 121.1° |
| C11 | C10 | H10 | 120.8° | 120.3° |
| C13 | C12 | C36 | 118.0° | 117.9° |
| C12 | C13 | N14 | 120.2° | 124.0° |
| C12 | C13 | H13 | 122.4° | 121.5° |
| C12 | C36 | C16 | 119.3° | 119.2° |
| C12 | C36 | H36 | 122.1° | 120.6° |
| N14 | C13 | H13 | 117.4° | 114.5° |
| C13 | N14 | C15 | 122.5° | 116.4° |
| N14 | C15 | C16 | 121.5° | 123.5° |
| N14 | C15 | H15 | 116.2° | 114.9° |
| C16 | C15 | H15 | 122.3° | 121.6° |
| C15 | C16 | O17 | 115.5° | 120.5° |
| C15 | C16 | C36 | 118.3° | 118.9° |
| O17 | C16 | C36 | 126.2° | 120.6° |
| C16 | O17 | C18 | 127.6° | 116.8° |
| C16 | C36 | H36 | 118.5° | 120.2° |
| O17 | C18 | C19 | 100.9° | 109.4° |
| O17 | C18 | H181 | 115.5° | 107.7° |
| O17 | C18 | H182 | 115.5° | 108.5° |
| C19 | C18 | H181 | 115.5° | 110.7° |
| C19 | C18 | H182 | 115.5° | 111.5° |
| C18 | C19 | N21 | 112.0° | 109.7° |
| C18 | C19 | C25 | 110.8° | 111.7° |
| C18 | C19 | H19 | 105.1° | 109.0° |
| H181 | C18 | H182 | 94.9° | 108.9° |
| N21 | C19 | C25 | 103.3° | 110.4° |
| N21 | C19 | H19 | 112.4° | 105.8° |
| C19 | N21 | H211 | 111.3° | 118.7° |
| C19 | N21 | H212 | 112.0° | 118.6° |
| C25 | C19 | H19 | 113.5° | 110.1° |
| C19 | C25 | C26 | 110.0° | 114.2° |
| C19 | C25 | H251 | 112.0° | 108.6° |
| C19 | C25 | H252 | 112.0° | 108.5° |
| H211 | N21 | H212 | 111.3° | 121.3° |
| C26 | C25 | H251 | 112.0° | 111.1° |
| C26 | C25 | H252 | 112.0° | 109.5° |
| C25 | C26 | C27 | 124.3° | 125.7° |
| C25 | C26 | C35 | 127.6° | 126.6° |
| H251 | C25 | H252 | 98.4° | 104.4° |
| C27 | C26 | C35 | 108.1° | 107.7° |
| C26 | C27 | N28 | 108.5° | 107.9° |
| C26 | C27 | H27 | 125.0° | 131.6° |
| C26 | C35 | C30 | 105.7° | 107.1° |
| C26 | C35 | C34 | 136.0° | 134.1° |
| N28 | C27 | H27 | 126.5° | 120.5° |
| C27 | N28 | C30 | 110.2° | 110.2° |
| C27 | N28 | H28 | 111.9° | 124.9° |
| C30 | N28 | H28 | 111.9° | 124.9° |
| N28 | C30 | C31 | 133.7° | 130.2° |
| N28 | C30 | C35 | 107.4° | 107.1° |
| C31 | C30 | C35 | 118.9° | 122.7° |
| C30 | C31 | C32 | 122.2° | 117.6° |
| C30 | C31 | H31 | 119.7° | 121.5° |
| C30 | C35 | C34 | 118.2° | 118.8° |
| C32 | C31 | H31 | 118.1° | 120.9° |
| C31 | C32 | C33 | 119.0° | 121.0° |
| C31 | C32 | H32 | 120.4° | 119.4° |
| C33 | C32 | H32 | 120.6° | 119.6° |
| C32 | C33 | C34 | 119.9° | 120.8° |
| C32 | C33 | H33 | 120.1° | 119.7° |
| C34 | C33 | H33 | 120.0° | 119.5° |
| C33 | C34 | C35 | 121.7° | 119.2° |
| C33 | C34 | H34 | 118.1° | 119.9° |
| C35 | C34 | H34 | 120.2° | 120.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1C1 | H1C2 | 111.1° | 123.2° |
| C2 | C1 | H1C1 | H1C3 | 137.8° | 123.2° |
| C2 | C1 | H1C2 | H1C3 | 137.8° | 122.5° |
| C1 | C2 | N3 | C11 | 179.4° | 179.9° |
| C1 | C2 | N3 | N4 | 179.8° | 180.0° |
| C1 | C2 | C11 | C6 | 179.8° | 180.0° |
| C1 | C2 | C11 | C10 | 1.7° | 0.1° |
| H1C1 | C1 | H1C2 | H1C3 | 111.1° | 114.8° |
| H1C1 | C1 | C2 | N3 | 54.7° | 158.0° |
| H1C1 | C1 | C2 | C11 | 125.9° | 21.9° |
| H1C2 | C1 | C2 | N3 | 54.7° | 37.5° |
| H1C2 | C1 | C2 | C11 | 124.6° | 142.5° |
| H1C3 | C1 | C2 | N3 | 180.0° | 81.5° |
| H1C3 | C1 | C2 | C11 | 0.7° | 98.6° |
| C2 | N3 | N4 | C6 | 0.8° | 0.0° |
| C2 | N3 | N4 | H4 | 126.1° | 179.9° |
| N3 | C2 | C11 | C6 | 0.4° | 0.0° |
| N3 | C2 | C11 | C10 | 178.8° | 180.0° |
| C11 | C2 | N3 | N4 | 0.7° | 0.0° |
| C2 | C11 | C6 | N4 | 0.1° | 0.0° |
| C2 | C11 | C6 | C7 | 178.4° | 180.0° |
| C2 | C11 | C6 | C10 | 178.7° | 179.9° |
| C2 | C11 | C10 | C9 | 179.8° | 179.9° |
| C2 | C11 | C10 | H10 | 0.2° | 0.1° |
| N3 | N4 | C6 | H4 | 125.2° | 179.9° |
| N3 | N4 | C6 | C7 | 178.5° | 180.0° |
| N3 | N4 | C6 | C11 | 0.6° | 0.0° |
| N4 | C6 | C7 | C11 | 177.7° | 179.9° |
| N4 | C6 | C7 | C8 | 179.7° | 179.9° |
| N4 | C6 | C7 | H7 | 0.4° | 0.1° |
| N4 | C6 | C11 | C10 | 178.5° | 180.0° |
| H4 | N4 | C6 | C7 | 56.3° | 0.1° |
| H4 | N4 | C6 | C11 | 125.8° | 179.8° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 1.9° | 0.1° |
| C6 | C7 | C8 | H8 | 178.1° | 180.0° |
| C7 | C6 | C11 | C10 | 0.3° | 0.1° |
| C11 | C6 | C7 | C8 | 1.9° | 0.1° |
| C11 | C6 | C7 | H7 | 178.1° | 180.0° |
| C6 | C11 | C10 | C9 | 1.5° | 0.0° |
| C6 | C11 | C10 | H10 | 178.5° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | C12 | 177.1° | 179.9° |
| H7 | C7 | C8 | C9 | 178.1° | 180.0° |
| H7 | C7 | C8 | H8 | 1.9° | 0.1° |
| C8 | C9 | C10 | C12 | 177.2° | 180.0° |
| C8 | C9 | C10 | C11 | 1.6° | 0.0° |
| C8 | C9 | C10 | H10 | 178.4° | 180.0° |
| C8 | C9 | C12 | C13 | 40.0° | 30.1° |
| C8 | C9 | C12 | C36 | 137.3° | 150.0° |
| H8 | C8 | C9 | C10 | 179.9° | 180.0° |
| H8 | C8 | C9 | C12 | 2.9° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C10 | C9 | C12 | C13 | 142.9° | 149.9° |
| C10 | C9 | C12 | C36 | 39.8° | 29.9° |
| C12 | C9 | C10 | C11 | 178.8° | 179.9° |
| C12 | C9 | C10 | H10 | 1.2° | 0.0° |
| C9 | C12 | C13 | C36 | 177.3° | 179.9° |
| C9 | C12 | C13 | N14 | 178.9° | 179.9° |
| C9 | C12 | C13 | H13 | 1.1° | 0.0° |
| C9 | C12 | C36 | C16 | 178.2° | 179.9° |
| C9 | C12 | C36 | H36 | 1.8° | 0.1° |
| C12 | C13 | N14 | H13 | 180.0° | 179.9° |
| C12 | C13 | N14 | C15 | 1.0° | 0.0° |
| C13 | C12 | C36 | C16 | 0.7° | 0.1° |
| C13 | C12 | C36 | H36 | 179.3° | 180.0° |
| C36 | C12 | C13 | N14 | 1.5° | 0.0° |
| C36 | C12 | C13 | H13 | 178.5° | 179.9° |
| C12 | C36 | C16 | C15 | 0.6° | 0.1° |
| C12 | C36 | C16 | O17 | 179.8° | 179.8° |
| C12 | C36 | C16 | H36 | 180.0° | 180.0° |
| C13 | N14 | C15 | C16 | 0.4° | 0.0° |
| C13 | N14 | C15 | H15 | 179.6° | 179.9° |
| H13 | C13 | N14 | C15 | 179.0° | 179.9° |
| N14 | C15 | C16 | H15 | 180.0° | 179.8° |
| N14 | C15 | C16 | O17 | 179.2° | 179.8° |
| N14 | C15 | C16 | C36 | 1.2° | 0.0° |
| C15 | C16 | O17 | C36 | 179.6° | 179.8° |
| C15 | C16 | O17 | C18 | 163.5° | 30.2° |
| C15 | C16 | C36 | H36 | 179.4° | 180.0° |
| H15 | C15 | C16 | O17 | 0.8° | 0.0° |
| H15 | C15 | C16 | C36 | 178.8° | 179.8° |
| C16 | O17 | C18 | C19 | 166.8° | 149.5° |
| C16 | O17 | C18 | H181 | 68.0° | 90.0° |
| C16 | O17 | C18 | H182 | 41.5° | 27.7° |
| O17 | C16 | C36 | H36 | 0.2° | 0.2° |
| C36 | C16 | O17 | C18 | 17.0° | 150.0° |
| O17 | C18 | C19 | H181 | 125.3° | 118.6° |
| O17 | C18 | C19 | H182 | 125.3° | 120.0° |
| O17 | C18 | H181 | H182 | 121.3° | 117.4° |
| O17 | C18 | C19 | N21 | 51.2° | 175.8° |
| O17 | C18 | C19 | C25 | 63.5° | 61.4° |
| O17 | C18 | C19 | H19 | 173.5° | 60.4° |
| C19 | C18 | H181 | H182 | 121.3° | 123.0° |
| C18 | C19 | N21 | C25 | 119.2° | 123.5° |
| C18 | C19 | N21 | H19 | 118.0° | 117.4° |
| C18 | C19 | C25 | H19 | 118.0° | 121.3° |
| C18 | C19 | N21 | H211 | 54.7° | 37.6° |
| C18 | C19 | N21 | H212 | 180.0° | 129.0° |
| C18 | C19 | C25 | C26 | 67.1° | 81.3° |
| C18 | C19 | C25 | H251 | 58.1° | 43.4° |
| C18 | C19 | C25 | H252 | 167.6° | 156.3° |
| H181 | C18 | C19 | N21 | 74.1° | 57.3° |
| H181 | C18 | C19 | C25 | 171.2° | 180.0° |
| H181 | C18 | C19 | H19 | 48.2° | 58.1° |
| H182 | C18 | C19 | N21 | 176.5° | 64.2° |
| H182 | C18 | C19 | C25 | 61.8° | 58.6° |
| H182 | C18 | C19 | H19 | 61.3° | 179.5° |
| N21 | C19 | C25 | H19 | 122.0° | 116.4° |
| C19 | N21 | H211 | H212 | 125.6° | 166.3° |
| N21 | C19 | C25 | C26 | 172.8° | 156.4° |
| N21 | C19 | C25 | H251 | 61.9° | 78.9° |
| N21 | C19 | C25 | H252 | 47.6° | 33.9° |
| C25 | C19 | N21 | H211 | 64.5° | 85.9° |
| C25 | C19 | N21 | H212 | 60.8° | 107.5° |
| C19 | C25 | C26 | H251 | 125.3° | 123.4° |
| C19 | C25 | C26 | H252 | 125.3° | 121.9° |
| C19 | C25 | H251 | H252 | 117.9° | 115.5° |
| C19 | C25 | C26 | C27 | 81.5° | 45.0° |
| C19 | C25 | C26 | C35 | 98.4° | 135.1° |
| H19 | C19 | N21 | H211 | 172.8° | 155.1° |
| H19 | C19 | N21 | H212 | 62.0° | 11.6° |
| H19 | C19 | C25 | C26 | 50.9° | 40.0° |
| H19 | C19 | C25 | H251 | 176.1° | 164.7° |
| H19 | C19 | C25 | H252 | 74.4° | 82.5° |
| C26 | C25 | H251 | H252 | 117.9° | 117.9° |
| C25 | C26 | C27 | C35 | 179.9° | 180.0° |
| C25 | C26 | C27 | N28 | 179.8° | 179.9° |
| C25 | C26 | C27 | H27 | 0.2° | 0.0° |
| C25 | C26 | C35 | C30 | 179.7° | 180.0° |
| C25 | C26 | C35 | C34 | 0.5° | 0.0° |
| H251 | C25 | C26 | C27 | 153.2° | 168.3° |
| H251 | C25 | C26 | C35 | 26.8° | 11.7° |
| H252 | C25 | C26 | C27 | 43.8° | 76.9° |
| H252 | C25 | C26 | C35 | 136.3° | 103.1° |
| C26 | C27 | N28 | H27 | 180.0° | 179.9° |
| C26 | C27 | N28 | C30 | 0.0° | 0.1° |
| C26 | C27 | N28 | H28 | 125.2° | 179.9° |
| C27 | C26 | C35 | C30 | 0.4° | 0.0° |
| C27 | C26 | C35 | C34 | 179.5° | 180.0° |
| C35 | C26 | C27 | N28 | 0.3° | 0.1° |
| C35 | C26 | C27 | H27 | 179.8° | 180.0° |
| C26 | C35 | C30 | N28 | 0.4° | 0.0° |
| C26 | C35 | C30 | C31 | 179.9° | 180.0° |
| C26 | C35 | C30 | C34 | 179.3° | 180.0° |
| C26 | C35 | C34 | C33 | 179.3° | 180.0° |
| C26 | C35 | C34 | H34 | 0.7° | 0.0° |
| C27 | N28 | C30 | H28 | 125.3° | 179.9° |
| C27 | N28 | C30 | C31 | 179.6° | 179.9° |
| C27 | N28 | C30 | C35 | 0.2° | 0.0° |
| H27 | C27 | N28 | C30 | 180.0° | 180.0° |
| H27 | C27 | N28 | H28 | 54.8° | 0.1° |
| N28 | C30 | C31 | C35 | 179.3° | 180.0° |
| N28 | C30 | C31 | C32 | 179.7° | 180.0° |
| N28 | C30 | C31 | H31 | 0.3° | 0.0° |
| N28 | C30 | C35 | C34 | 179.7° | 180.0° |
| H28 | N28 | C30 | C31 | 55.1° | 0.1° |
| H28 | N28 | C30 | C35 | 125.5° | 179.9° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.5° | 0.0° |
| C30 | C31 | C32 | H32 | 179.5° | 180.0° |
| C31 | C30 | C35 | C34 | 0.8° | 0.1° |
| C35 | C30 | C31 | C32 | 1.0° | 0.0° |
| C35 | C30 | C31 | H31 | 179.0° | 179.9° |
| C30 | C35 | C34 | C33 | 0.2° | 0.0° |
| C30 | C35 | C34 | H34 | 179.8° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.1° | 0.0° |
| C31 | C32 | C33 | H33 | 179.9° | 180.0° |
| H31 | C31 | C32 | C33 | 179.5° | 180.0° |
| H31 | C31 | C32 | H32 | 0.5° | 0.1° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.3° | 0.0° |
| C32 | C33 | C34 | H34 | 179.8° | 180.0° |
| H32 | C32 | C33 | C34 | 179.9° | 180.0° |
| H32 | C32 | C33 | H33 | 0.1° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| H33 | C33 | C34 | C35 | 179.7° | 180.0° |
| H33 | C33 | C34 | H34 | 0.3° | 0.0° |
