1LI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N6 | sing | 1.35Å | 1.34Å | |
| C4 | O5 | doub | 1.21Å | 1.21Å | |
| C4 | C3 | sing | 1.51Å | 1.50Å | |
| C7 | C17 | sing | 1.53Å | 1.54Å | |
| C7 | C31 | sing | 1.53Å | 1.53Å | |
| C7 | O18 | sing | 1.43Å | 1.41Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C31 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | F16 | sing | 1.35Å | 1.33Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | N19 | sing | 1.47Å | 1.46Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C24 | sing | 1.51Å | 1.52Å | |
| C20 | N19 | sing | 1.47Å | 1.47Å | |
| C20 | C32 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C34 | sing | 1.53Å | 1.53Å | |
| C24 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | F15 | sing | 1.35Å | 1.35Å | |
| C31 | N6 | sing | 1.47Å | 1.46Å | |
| C34 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C23 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C29 | sing | 1.51Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C2 | sing | 1.53Å | 1.53Å | |
| C29 | C1 | sing | 1.53Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| O18 | HO18 | sing | 0.97Å | 0.95Å | |
| N19 | HN19 | sing | 1.01Å | 1.00Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C4 | O5 | 122.2° | 120.0° |
| N6 | C4 | C3 | 116.9° | 119.9° |
| C4 | N6 | C31 | 123.1° | 120.0° |
| C4 | N6 | HN6 | 118.4° | 120.0° |
| O5 | C4 | C3 | 120.9° | 120.0° |
| C4 | C3 | H3 | 109.5° | 109.5° |
| C4 | C3 | H3A | 109.5° | 109.5° |
| C4 | C3 | H3B | 109.5° | 109.4° |
| C17 | C7 | C31 | 111.0° | 109.4° |
| C17 | C7 | O18 | 109.7° | 109.4° |
| C7 | C17 | N19 | 113.1° | 109.5° |
| C17 | C7 | H7 | 108.5° | 109.5° |
| C7 | C17 | H17 | 108.3° | 109.5° |
| C7 | C17 | H17A | 108.3° | 109.5° |
| C31 | C7 | O18 | 110.0° | 109.5° |
| C7 | C31 | C8 | 113.5° | 109.4° |
| C7 | C31 | N6 | 109.2° | 109.4° |
| C31 | C7 | H7 | 108.1° | 109.5° |
| C7 | C31 | H31 | 106.6° | 109.5° |
| O18 | C7 | H7 | 109.4° | 109.5° |
| C7 | O18 | HO18 | 109.5° | 114.0° |
| C9 | C8 | C31 | 109.4° | 109.5° |
| C8 | C9 | C10 | 120.8° | 119.9° |
| C8 | C9 | C14 | 120.0° | 120.0° |
| C9 | C8 | H8 | 109.5° | 109.4° |
| C9 | C8 | H8A | 109.5° | 109.5° |
| C8 | C31 | N6 | 108.6° | 109.5° |
| C31 | C8 | H8 | 109.5° | 109.5° |
| C31 | C8 | H8A | 109.5° | 109.5° |
| C8 | C31 | H31 | 107.2° | 109.5° |
| C11 | C10 | C9 | 120.5° | 120.0° |
| C10 | C11 | C12 | 120.2° | 120.0° |
| C10 | C11 | F15 | 120.0° | 120.0° |
| C11 | C10 | H10 | 119.8° | 120.0° |
| C10 | C9 | C14 | 119.1° | 120.0° |
| C9 | C10 | H10 | 119.8° | 120.0° |
| F16 | C13 | C14 | 119.7° | 120.0° |
| F16 | C13 | C12 | 120.0° | 120.1° |
| C14 | C13 | C12 | 120.3° | 120.0° |
| C13 | C14 | C9 | 120.3° | 120.1° |
| C13 | C14 | H14 | 119.8° | 120.0° |
| C13 | C12 | C11 | 119.6° | 120.0° |
| C13 | C12 | H12 | 120.2° | 120.0° |
| C17 | N19 | C20 | 121.8° | 111.0° |
| N19 | C17 | H17 | 108.3° | 109.5° |
| N19 | C17 | H17A | 108.3° | 109.5° |
| C17 | N19 | HN19 | 105.6° | 111.0° |
| C21 | C20 | C24 | 115.9° | 109.5° |
| C21 | C20 | N19 | 107.0° | 109.4° |
| C21 | C20 | C32 | 108.8° | 109.5° |
| C20 | C21 | C22 | 115.3° | 109.5° |
| C20 | C21 | H21 | 107.6° | 109.5° |
| C20 | C21 | H21A | 107.6° | 109.5° |
| C24 | C20 | N19 | 107.5° | 109.5° |
| C24 | C20 | C32 | 109.7° | 109.5° |
| C20 | C24 | C28 | 119.3° | 120.0° |
| C20 | C24 | C23 | 122.7° | 120.0° |
| N19 | C20 | C32 | 107.6° | 109.5° |
| C20 | N19 | HN19 | 105.5° | 111.0° |
| C20 | C32 | C33 | 112.0° | 109.5° |
| C20 | C32 | H32 | 108.7° | 109.4° |
| C20 | C32 | H32A | 108.6° | 109.5° |
| C21 | C22 | C34 | 112.8° | 109.5° |
| C22 | C21 | H21 | 107.6° | 109.5° |
| C22 | C21 | H21A | 107.6° | 109.5° |
| C21 | C22 | H22 | 108.4° | 109.5° |
| C21 | C22 | H22A | 108.4° | 109.5° |
| C22 | C34 | C33 | 110.5° | 109.4° |
| C34 | C22 | H22 | 108.4° | 109.4° |
| C34 | C22 | H22A | 108.4° | 109.4° |
| C22 | C34 | H34 | 109.1° | 109.5° |
| C22 | C34 | H34A | 109.1° | 109.4° |
| C28 | C24 | C23 | 118.0° | 120.0° |
| C24 | C28 | C27 | 122.1° | 120.0° |
| C24 | C28 | H28 | 118.9° | 120.0° |
| C24 | C23 | C25 | 120.7° | 120.0° |
| C24 | C23 | H23 | 119.6° | 120.0° |
| C27 | C26 | C25 | 120.4° | 120.0° |
| C26 | C27 | C28 | 118.2° | 120.0° |
| C26 | C27 | C29 | 121.4° | 120.0° |
| C27 | C26 | H26 | 119.8° | 119.9° |
| C26 | C25 | C23 | 120.5° | 120.0° |
| C25 | C26 | H26 | 119.8° | 120.1° |
| C26 | C25 | H25 | 119.8° | 120.0° |
| C28 | C27 | C29 | 120.4° | 120.0° |
| C27 | C28 | H28 | 119.0° | 120.0° |
| C9 | C14 | H14 | 119.9° | 119.9° |
| C12 | C11 | F15 | 119.7° | 120.0° |
| C11 | C12 | H12 | 120.2° | 120.0° |
| N6 | C31 | H31 | 111.8° | 109.5° |
| C31 | N6 | HN6 | 118.5° | 120.0° |
| C34 | C33 | C32 | 109.6° | 109.5° |
| C33 | C34 | H34 | 109.1° | 109.5° |
| C33 | C34 | H34A | 109.1° | 109.5° |
| C34 | C33 | H33 | 109.4° | 109.4° |
| C34 | C33 | H33A | 109.4° | 109.5° |
| C32 | C33 | H33 | 109.5° | 109.5° |
| C32 | C33 | H33A | 109.4° | 109.5° |
| C33 | C32 | H32 | 108.6° | 109.5° |
| C33 | C32 | H32A | 108.6° | 109.5° |
| C25 | C23 | H23 | 119.6° | 120.0° |
| C23 | C25 | H25 | 119.7° | 119.9° |
| C27 | C29 | C30 | 111.3° | 109.5° |
| C27 | C29 | C2 | 112.3° | 109.4° |
| C27 | C29 | C1 | 107.5° | 109.4° |
| C30 | C29 | C2 | 106.4° | 109.5° |
| C30 | C29 | C1 | 109.4° | 109.5° |
| C29 | C30 | H30 | 109.5° | 109.5° |
| C29 | C30 | H30A | 109.5° | 109.5° |
| C29 | C30 | H30B | 109.5° | 109.5° |
| C2 | C29 | C1 | 110.0° | 109.5° |
| C29 | C2 | H2 | 109.5° | 109.5° |
| C29 | C2 | H2A | 109.5° | 109.5° |
| C29 | C2 | H2B | 109.4° | 109.5° |
| C29 | C1 | H1 | 109.5° | 109.5° |
| C29 | C1 | H1A | 109.5° | 109.5° |
| C29 | C1 | H1B | 109.4° | 109.5° |
| H8 | C8 | H8A | 109.4° | 109.5° |
| H17 | C17 | H17A | 110.6° | 109.5° |
| H21 | C21 | H21A | 111.3° | 109.5° |
| H22 | C22 | H22A | 110.5° | 109.5° |
| H3 | C3 | H3A | 109.5° | 109.4° |
| H3 | C3 | H3B | 109.5° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.4° |
| H34 | C34 | H34A | 109.8° | 109.5° |
| H33 | C33 | H33A | 109.5° | 109.5° |
| H32 | C32 | H32A | 110.3° | 109.5° |
| H30 | C30 | H30A | 109.4° | 109.4° |
| H30 | C30 | H30B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| H2 | C2 | H2A | 109.5° | 109.4° |
| H2 | C2 | H2B | 109.5° | 109.5° |
| H2A | C2 | H2B | 109.5° | 109.4° |
| H1 | C1 | H1A | 109.5° | 109.4° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C4 | O5 | C3 | 179.8° | 179.8° |
| C4 | N6 | C31 | C7 | 114.9° | 63.5° |
| C4 | N6 | C31 | C8 | 120.8° | 56.5° |
| C4 | N6 | C31 | HN6 | 180.0° | 179.9° |
| C4 | N6 | C31 | H31 | 2.7° | 176.5° |
| N6 | C4 | C3 | H3 | 179.8° | 5.0° |
| N6 | C4 | C3 | H3A | 59.8° | 125.0° |
| N6 | C4 | C3 | H3B | 60.2° | 115.1° |
| O5 | C4 | N6 | C31 | 4.3° | 5.0° |
| O5 | C4 | N6 | HN6 | 175.7° | 175.1° |
| O5 | C4 | C3 | H3 | 0.0° | 175.2° |
| O5 | C4 | C3 | H3A | 120.0° | 55.2° |
| O5 | C4 | C3 | H3B | 120.0° | 64.7° |
| C3 | C4 | N6 | C31 | 175.9° | 174.8° |
| C3 | C4 | N6 | HN6 | 4.1° | 5.1° |
| C4 | C3 | H3 | H3A | 120.0° | 120.0° |
| C4 | C3 | H3 | H3B | 120.0° | 120.0° |
| C4 | C3 | H3A | H3B | 120.0° | 119.9° |
| C17 | C7 | C31 | O18 | 121.6° | 119.9° |
| C17 | C7 | C31 | H7 | 118.9° | 120.0° |
| C17 | C7 | O18 | H7 | 118.9° | 120.0° |
| C17 | C7 | C31 | C8 | 174.9° | 175.1° |
| C7 | C17 | N19 | H17 | 120.0° | 120.0° |
| C7 | C17 | N19 | H17A | 120.0° | 120.0° |
| C7 | C17 | N19 | C20 | 159.5° | 174.9° |
| C17 | C7 | C31 | N6 | 53.5° | 55.1° |
| C7 | C17 | H17 | H17A | 118.5° | 120.0° |
| C17 | C7 | C31 | H31 | 67.4° | 64.9° |
| C17 | C7 | O18 | HO18 | 180.0° | 60.0° |
| C7 | C17 | N19 | HN19 | 39.5° | 51.0° |
| C31 | C7 | O18 | H7 | 118.7° | 120.0° |
| C7 | C31 | C8 | C9 | 173.5° | 175.0° |
| C7 | C31 | C8 | N6 | 121.7° | 120.0° |
| C7 | C31 | C8 | H31 | 117.4° | 120.0° |
| C31 | C7 | C17 | N19 | 164.4° | 177.0° |
| C7 | C31 | N6 | H31 | 117.7° | 120.0° |
| C7 | C31 | C8 | H8 | 66.5° | 55.0° |
| C7 | C31 | C8 | H8A | 53.5° | 65.0° |
| C31 | C7 | C17 | H17 | 75.5° | 57.0° |
| C31 | C7 | C17 | H17A | 44.4° | 63.0° |
| C7 | C31 | N6 | HN6 | 65.1° | 116.6° |
| C31 | C7 | O18 | HO18 | 57.6° | 60.0° |
| O18 | C7 | C31 | C8 | 63.5° | 64.9° |
| O18 | C7 | C17 | N19 | 42.6° | 63.1° |
| O18 | C7 | C31 | N6 | 175.1° | 175.1° |
| O18 | C7 | C17 | H17 | 162.6° | 176.9° |
| O18 | C7 | C17 | H17A | 77.4° | 56.9° |
| O18 | C7 | C31 | H31 | 54.3° | 55.1° |
| C9 | C8 | C31 | H8 | 120.0° | 120.0° |
| C9 | C8 | C31 | H8A | 120.0° | 120.0° |
| C8 | C9 | C10 | C11 | 179.6° | 180.0° |
| C8 | C9 | C10 | C14 | 179.0° | 180.0° |
| C8 | C9 | C14 | C13 | 178.8° | 180.0° |
| C9 | C8 | C31 | N6 | 51.8° | 65.0° |
| C9 | C8 | H8 | H8A | 120.1° | 119.9° |
| C8 | C9 | C10 | H10 | 0.5° | 0.3° |
| C8 | C9 | C14 | H14 | 1.2° | 0.1° |
| C9 | C8 | C31 | H31 | 69.1° | 55.0° |
| C31 | C8 | C9 | C10 | 118.5° | 90.0° |
| C31 | C8 | C9 | C14 | 60.5° | 90.0° |
| C8 | C31 | N6 | H31 | 118.0° | 120.0° |
| C8 | C31 | C7 | H7 | 56.0° | 55.1° |
| C31 | C8 | H8 | H8A | 120.0° | 120.0° |
| C8 | C31 | N6 | HN6 | 59.2° | 123.4° |
| C11 | C10 | C9 | H10 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 1.0° | 0.1° |
| C11 | C10 | C9 | C14 | 0.6° | 0.0° |
| C10 | C11 | C12 | F15 | 178.0° | 179.9° |
| C10 | C11 | C12 | H12 | 179.0° | 180.0° |
| C10 | C9 | C14 | C13 | 0.2° | 0.0° |
| C9 | C10 | C11 | C12 | 1.2° | 0.0° |
| C9 | C10 | C11 | F15 | 179.2° | 180.0° |
| C10 | C9 | C8 | H8 | 121.5° | 150.0° |
| C10 | C9 | C8 | H8A | 1.5° | 30.0° |
| C10 | C9 | C14 | H14 | 179.8° | 180.0° |
| F16 | C13 | C14 | C12 | 179.9° | 180.0° |
| F16 | C13 | C14 | C9 | 179.5° | 179.9° |
| F16 | C13 | C12 | C11 | 179.9° | 179.9° |
| F16 | C13 | C14 | H14 | 0.5° | 0.0° |
| F16 | C13 | C12 | H12 | 0.1° | 0.0° |
| C13 | C14 | C9 | H14 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.1° |
| C14 | C13 | C12 | H12 | 179.8° | 180.0° |
| C12 | C13 | C14 | C9 | 0.4° | 0.1° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | F15 | 179.0° | 180.0° |
| C12 | C13 | C14 | H14 | 179.6° | 180.0° |
| C17 | N19 | C20 | C21 | 53.5° | 55.4° |
| C17 | N19 | C20 | C24 | 71.7° | 64.5° |
| C17 | N19 | C20 | HN19 | 120.0° | 124.0° |
| C17 | N19 | C20 | C32 | 170.2° | 175.4° |
| N19 | C17 | C7 | H7 | 76.9° | 57.0° |
| N19 | C17 | H17 | H17A | 118.5° | 120.0° |
| C21 | C20 | C24 | N19 | 119.6° | 120.0° |
| C21 | C20 | C24 | C32 | 123.8° | 120.0° |
| C21 | C20 | N19 | C32 | 116.8° | 120.0° |
| C20 | C21 | C22 | H21 | 120.0° | 120.0° |
| C20 | C21 | C22 | H21A | 120.0° | 120.0° |
| C20 | C21 | C22 | C34 | 47.5° | 60.0° |
| C21 | C20 | C24 | C28 | 176.5° | 154.2° |
| C21 | C20 | C24 | C23 | 4.4° | 26.2° |
| C21 | C20 | C32 | C33 | 56.3° | 60.0° |
| C20 | C21 | H21 | H21A | 117.6° | 120.0° |
| C20 | C21 | C22 | H22 | 167.5° | 60.0° |
| C20 | C21 | C22 | H22A | 72.5° | 179.9° |
| C21 | C20 | N19 | HN19 | 173.5° | 179.4° |
| C21 | C20 | C32 | H32 | 176.3° | 60.0° |
| C21 | C20 | C32 | H32A | 63.7° | 180.0° |
| C24 | C20 | N19 | C32 | 118.1° | 120.0° |
| C24 | C20 | C21 | C22 | 75.4° | 180.0° |
| C20 | C24 | C28 | C23 | 179.1° | 179.7° |
| C20 | C24 | C28 | C27 | 179.8° | 180.0° |
| C24 | C20 | C32 | C33 | 71.5° | 180.0° |
| C20 | C24 | C23 | C25 | 179.3° | 180.0° |
| C24 | C20 | C21 | H21 | 164.5° | 60.0° |
| C24 | C20 | C21 | H21A | 44.6° | 60.0° |
| C20 | C24 | C28 | H28 | 0.2° | 0.0° |
| C24 | C20 | N19 | HN19 | 48.3° | 59.4° |
| C24 | C20 | C32 | H32 | 48.5° | 60.0° |
| C24 | C20 | C32 | H32A | 168.5° | 60.0° |
| C20 | C24 | C23 | H23 | 0.6° | 0.1° |
| N19 | C20 | C21 | C22 | 164.7° | 60.0° |
| N19 | C20 | C24 | C28 | 63.9° | 34.2° |
| N19 | C20 | C24 | C23 | 115.2° | 146.1° |
| N19 | C20 | C32 | C33 | 171.9° | 60.0° |
| C20 | N19 | C17 | H17 | 80.5° | 65.1° |
| C20 | N19 | C17 | H17A | 39.5° | 54.9° |
| N19 | C20 | C21 | H21 | 44.7° | 60.0° |
| N19 | C20 | C21 | H21A | 75.3° | 180.0° |
| N19 | C20 | C32 | H32 | 68.1° | 180.0° |
| N19 | C20 | C32 | H32A | 51.9° | 60.0° |
| C32 | C20 | C21 | C22 | 48.8° | 60.0° |
| C32 | C20 | C24 | C28 | 52.7° | 85.8° |
| C32 | C20 | C24 | C23 | 128.2° | 93.8° |
| C20 | C32 | C33 | C34 | 62.9° | 60.0° |
| C20 | C32 | C33 | H32 | 120.0° | 120.0° |
| C20 | C32 | C33 | H32A | 120.0° | 120.0° |
| C32 | C20 | C21 | H21 | 71.3° | 180.0° |
| C32 | C20 | C21 | H21A | 168.8° | 60.0° |
| C32 | C20 | N19 | HN19 | 69.7° | 60.6° |
| C20 | C32 | C33 | H33 | 177.1° | 60.0° |
| C20 | C32 | C33 | H33A | 57.1° | 180.0° |
| C20 | C32 | H32 | H32A | 119.0° | 120.0° |
| C21 | C22 | C34 | H22 | 120.0° | 120.0° |
| C21 | C22 | C34 | H22A | 120.0° | 120.0° |
| C21 | C22 | C34 | C33 | 51.1° | 60.0° |
| C22 | C21 | H21 | H21A | 117.6° | 120.0° |
| C21 | C22 | H22 | H22A | 118.6° | 120.1° |
| C21 | C22 | C34 | H34 | 68.9° | 180.0° |
| C21 | C22 | C34 | H34A | 171.1° | 60.0° |
| C22 | C34 | C33 | H34 | 120.0° | 120.0° |
| C22 | C34 | C33 | H34A | 120.0° | 120.0° |
| C22 | C34 | C33 | C32 | 58.5° | 60.0° |
| C34 | C22 | C21 | H21 | 72.5° | 180.0° |
| C34 | C22 | C21 | H21A | 167.5° | 60.0° |
| C34 | C22 | H22 | H22A | 118.6° | 119.9° |
| C22 | C34 | H34 | H34A | 119.6° | 120.0° |
| C22 | C34 | C33 | H33 | 178.5° | 60.0° |
| C22 | C34 | C33 | H33A | 61.5° | 180.0° |
| C24 | C28 | C27 | C26 | 1.1° | 0.0° |
| C24 | C28 | C27 | H28 | 180.0° | 180.0° |
| C28 | C24 | C23 | C25 | 0.2° | 0.3° |
| C24 | C28 | C27 | C29 | 179.2° | 179.7° |
| C28 | C24 | C23 | H23 | 179.8° | 179.7° |
| C24 | C23 | C25 | C26 | 0.3° | 0.1° |
| C23 | C24 | C28 | C27 | 0.6° | 0.3° |
| C24 | C23 | C25 | H23 | 180.0° | 179.9° |
| C23 | C24 | C28 | H28 | 179.3° | 179.7° |
| C24 | C23 | C25 | H25 | 179.8° | 179.7° |
| C27 | C26 | C25 | H26 | 180.0° | 179.7° |
| C26 | C27 | C28 | C29 | 178.2° | 179.7° |
| C27 | C26 | C25 | C23 | 0.7° | 0.2° |
| C26 | C27 | C29 | C30 | 144.7° | 5.0° |
| C26 | C27 | C29 | C2 | 25.5° | 124.9° |
| C26 | C27 | C29 | C1 | 95.6° | 115.1° |
| C26 | C27 | C28 | H28 | 178.9° | 180.0° |
| C27 | C26 | C25 | H25 | 179.3° | 179.9° |
| C25 | C26 | C27 | C28 | 1.1° | 0.3° |
| C26 | C25 | C23 | H25 | 180.0° | 179.8° |
| C25 | C26 | C27 | C29 | 179.2° | 180.0° |
| C26 | C25 | C23 | H23 | 179.7° | 180.0° |
| C28 | C27 | C29 | C30 | 37.2° | 174.8° |
| C28 | C27 | C29 | C2 | 156.4° | 54.8° |
| C28 | C27 | C29 | C1 | 82.5° | 65.2° |
| C28 | C27 | C26 | H26 | 179.0° | 180.0° |
| C14 | C9 | C8 | H8 | 59.5° | 30.0° |
| C14 | C9 | C8 | H8A | 179.5° | 150.0° |
| C14 | C9 | C10 | H10 | 179.4° | 179.7° |
| C12 | C11 | C10 | H10 | 178.8° | 179.8° |
| F15 | C11 | C10 | H10 | 0.9° | 0.3° |
| F15 | C11 | C12 | H12 | 1.0° | 0.1° |
| N6 | C31 | C7 | H7 | 65.4° | 64.9° |
| N6 | C31 | C8 | H8 | 171.8° | 175.0° |
| N6 | C31 | C8 | H8A | 68.2° | 55.0° |
| C34 | C33 | C32 | H33 | 120.0° | 119.9° |
| C34 | C33 | C32 | H33A | 120.0° | 120.0° |
| C33 | C34 | C22 | H22 | 171.1° | 60.0° |
| C33 | C34 | C22 | H22A | 68.9° | 180.0° |
| C33 | C34 | H34 | H34A | 119.6° | 120.0° |
| C34 | C33 | H33 | H33A | 119.9° | 120.0° |
| C34 | C33 | C32 | H32 | 177.1° | 60.0° |
| C34 | C33 | C32 | H32A | 57.1° | 180.0° |
| C32 | C33 | C34 | H34 | 61.5° | 180.0° |
| C32 | C33 | C34 | H34A | 178.5° | 60.0° |
| C32 | C33 | H33 | H33A | 120.0° | 120.0° |
| C33 | C32 | H32 | H32A | 119.0° | 120.0° |
| C23 | C25 | C26 | H26 | 179.4° | 180.0° |
| C27 | C29 | C30 | C2 | 122.6° | 120.0° |
| C27 | C29 | C30 | C1 | 118.6° | 120.0° |
| C27 | C29 | C2 | C1 | 119.6° | 120.0° |
| C29 | C27 | C26 | H26 | 0.8° | 0.3° |
| C29 | C27 | C28 | H28 | 0.7° | 0.3° |
| C27 | C29 | C30 | H30 | 180.0° | 60.0° |
| C27 | C29 | C30 | H30A | 60.0° | 180.0° |
| C27 | C29 | C30 | H30B | 60.0° | 60.0° |
| C27 | C29 | C2 | H2 | 180.0° | 65.1° |
| C27 | C29 | C2 | H2A | 60.0° | 175.0° |
| C27 | C29 | C2 | H2B | 60.0° | 55.0° |
| C27 | C29 | C1 | H1 | 180.0° | 60.0° |
| C27 | C29 | C1 | H1A | 60.0° | 179.9° |
| C27 | C29 | C1 | H1B | 60.0° | 60.0° |
| C30 | C29 | C2 | C1 | 118.4° | 120.1° |
| C29 | C30 | H30 | H30A | 120.0° | 120.0° |
| C29 | C30 | H30 | H30B | 120.0° | 120.0° |
| C29 | C30 | H30A | H30B | 120.0° | 120.0° |
| C30 | C29 | C2 | H2 | 58.0° | 174.9° |
| C30 | C29 | C2 | H2A | 62.0° | 55.0° |
| C30 | C29 | C2 | H2B | 178.1° | 65.0° |
| C30 | C29 | C1 | H1 | 59.1° | 60.0° |
| C30 | C29 | C1 | H1A | 179.1° | 59.9° |
| C30 | C29 | C1 | H1B | 60.9° | 180.0° |
| C2 | C29 | C30 | H30 | 57.4° | 60.0° |
| C2 | C29 | C30 | H30A | 177.4° | 60.0° |
| C2 | C29 | C30 | H30B | 62.6° | 180.0° |
| C29 | C2 | H2 | H2A | 120.0° | 120.0° |
| C29 | C2 | H2 | H2B | 120.0° | 120.1° |
| C29 | C2 | H2A | H2B | 120.0° | 120.0° |
| C2 | C29 | C1 | H1 | 57.5° | 180.0° |
| C2 | C29 | C1 | H1A | 62.5° | 60.1° |
| C2 | C29 | C1 | H1B | 177.5° | 60.0° |
| C1 | C29 | C30 | H30 | 61.4° | 180.0° |
| C1 | C29 | C30 | H30A | 58.6° | 60.0° |
| C1 | C29 | C30 | H30B | 178.6° | 60.0° |
| C1 | C29 | C2 | H2 | 60.4° | 54.9° |
| C1 | C29 | C2 | H2A | 179.6° | 65.1° |
| C1 | C29 | C2 | H2B | 59.7° | 174.9° |
| C29 | C1 | H1 | H1A | 120.0° | 119.9° |
| C29 | C1 | H1 | H1B | 120.0° | 120.0° |
| C29 | C1 | H1A | H1B | 120.0° | 120.1° |
| H7 | C7 | C17 | H17 | 43.1° | 63.1° |
| H7 | C7 | C17 | H17A | 163.1° | 176.9° |
| H7 | C7 | C31 | H31 | 173.7° | 175.1° |
| H7 | C7 | O18 | HO18 | 61.1° | 180.0° |
| H8 | C8 | C31 | H31 | 50.9° | 65.0° |
| H8A | C8 | C31 | H31 | 170.9° | 175.0° |
| H17 | C17 | N19 | HN19 | 159.5° | 171.0° |
| H17A | C17 | N19 | HN19 | 80.5° | 69.0° |
| H21 | C21 | C22 | H22 | 47.5° | 60.0° |
| H21 | C21 | C22 | H22A | 167.5° | 60.0° |
| H21A | C21 | C22 | H22 | 72.5° | 180.0° |
| H21A | C21 | C22 | H22A | 47.5° | 60.0° |
| H22 | C22 | C34 | H34 | 51.1° | 60.0° |
| H22 | C22 | C34 | H34A | 68.9° | NaN° |
| H22A | C22 | C34 | H34 | 171.1° | 60.0° |
| H22A | C22 | C34 | H34A | 51.1° | 60.0° |
| H26 | C26 | C25 | H25 | 0.6° | 0.2° |
| H31 | C31 | N6 | HN6 | 177.3° | 3.4° |
| H3 | C3 | H3A | H3B | 120.0° | 120.0° |
| H34 | C34 | C33 | H33 | 58.5° | 60.0° |
| H34 | C34 | C33 | H33A | 178.5° | 60.0° |
| H34A | C34 | C33 | H33 | 61.5° | 180.0° |
| H34A | C34 | C33 | H33A | 58.5° | 60.0° |
| H33 | C33 | C32 | H32 | 57.1° | 179.9° |
| H33 | C33 | C32 | H32A | 62.9° | 60.0° |
| H33A | C33 | C32 | H32 | 62.9° | 60.0° |
| H33A | C33 | C32 | H32A | 177.1° | 60.0° |
| H23 | C23 | C25 | H25 | 0.3° | 0.2° |
| H30 | C30 | H30A | H30B | 120.0° | 120.0° |
| H2 | C2 | H2A | H2B | 120.0° | 120.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
