A1I1F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.55Å | 1.54Å | |
| C2 | C3 | sing | 1.55Å | 1.53Å | |
| C3 | C4 | sing | 1.55Å | 1.50Å | |
| C4 | N5 | sing | 1.46Å | 1.47Å | |
| N5 | C6 | sing | 1.36Å | 1.35Å | |
| C6 | O7 | doub | 1.22Å | 1.22Å | |
| C6 | C8 | sing | 1.50Å | 1.50Å | |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | O11 | sing | 1.36Å | 1.37Å | |
| O11 | C12 | sing | 1.43Å | 1.42Å | |
| C10 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | O14 | sing | 1.36Å | 1.37Å | |
| O14 | C15 | sing | 1.43Å | 1.44Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | O19 | doub | 1.21Å | 1.23Å | |
| C18 | N20 | sing | 1.35Å | 1.35Å | |
| N20 | C21 | sing | 1.40Å | 1.41Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.48Å | 1.48Å | |
| C25 | C26 | doub | 1.36Å | 1.35Å | Aromatic |
| C26 | O27 | sing | 1.34Å | 1.37Å | Aromatic |
| O27 | C28 | sing | 1.35Å | 1.37Å | Aromatic |
| C28 | C29 | sing | 1.47Å | 1.48Å | |
| C29 | O30 | doub | 1.22Å | 1.21Å | |
| C29 | O31 | sing | 1.35Å | 1.33Å | |
| O31 | C32 | sing | 1.45Å | 1.45Å | |
| C28 | C33 | doub | 1.37Å | 1.35Å | Aromatic |
| C24 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C36 | doub | 1.39Å | 1.38Å | Aromatic |
| C36 | C37 | sing | 1.41Å | 1.39Å | Aromatic |
| C37 | N38 | sing | 1.37Å | 1.40Å | |
| N38 | C39 | sing | 1.49Å | 1.44Å | |
| C39 | O40 | sing | 1.43Å | 1.41Å | |
| N5 | C1 | sing | 1.49Å | 1.47Å | |
| C33 | C25 | sing | 1.41Å | 1.43Å | Aromatic |
| C35 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C37 | C8 | doub | 1.43Å | 1.41Å | Aromatic |
| C39 | C1 | sing | 1.60Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H12C | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32C | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| N38 | H38 | sing | 0.97Å | 1.00Å | |
| O40 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 106.7° | 104.4° |
| C2 | C1 | N5 | 103.2° | 105.5° |
| C2 | C1 | C39 | 115.0° | 103.4° |
| C2 | C1 | H1 | 108.5° | 113.5° |
| C1 | C2 | H2B | 110.2° | 110.4° |
| C1 | C2 | H2A | 110.2° | 110.4° |
| C2 | C3 | C4 | 104.4° | 101.8° |
| C3 | C2 | H2B | 110.2° | 110.5° |
| C3 | C2 | H2A | 110.2° | 110.4° |
| C2 | C3 | H3B | 110.7° | 111.0° |
| C2 | C3 | H3A | 110.7° | 111.0° |
| C3 | C4 | N5 | 102.6° | 102.7° |
| C4 | C3 | H3B | 110.7° | 111.0° |
| C4 | C3 | H3A | 110.7° | 111.0° |
| C3 | C4 | H4B | 111.2° | 110.7° |
| C3 | C4 | H4A | 111.2° | 110.7° |
| C4 | N5 | C6 | 122.2° | 130.3° |
| C4 | N5 | C1 | 111.8° | 108.8° |
| N5 | C4 | H4B | 111.2° | 111.6° |
| N5 | C4 | H4A | 111.1° | 110.2° |
| N5 | C6 | O7 | 122.2° | 122.2° |
| N5 | C6 | C8 | 117.5° | 115.7° |
| C6 | N5 | C1 | 126.0° | 120.8° |
| O7 | C6 | C8 | 120.3° | 122.2° |
| C6 | C8 | C9 | 116.0° | 122.8° |
| C6 | C8 | C37 | 124.3° | 112.5° |
| C8 | C9 | C10 | 120.7° | 118.0° |
| C9 | C8 | C37 | 119.7° | 124.6° |
| C8 | C9 | H9 | 119.6° | 121.0° |
| C9 | C10 | O11 | 124.6° | 120.1° |
| C9 | C10 | C13 | 119.8° | 119.8° |
| C10 | C9 | H9 | 119.7° | 121.0° |
| C10 | O11 | C12 | 117.3° | 117.0° |
| O11 | C10 | C13 | 115.5° | 120.1° |
| O11 | C12 | H12C | 109.5° | 109.4° |
| O11 | C12 | H12B | 109.5° | 109.4° |
| O11 | C12 | H12A | 109.4° | 109.5° |
| C10 | C13 | O14 | 115.7° | 119.4° |
| C10 | C13 | C36 | 119.8° | 121.3° |
| C13 | O14 | C15 | 118.5° | 117.0° |
| O14 | C13 | C36 | 124.4° | 119.3° |
| O14 | C15 | C16 | 109.6° | 109.5° |
| O14 | C15 | H15A | 109.4° | 109.4° |
| O14 | C15 | H15B | 109.4° | 109.5° |
| C15 | C16 | C17 | 112.4° | 109.5° |
| C16 | C15 | H15A | 109.4° | 109.5° |
| C16 | C15 | H15B | 109.4° | 109.4° |
| C15 | C16 | H16A | 108.7° | 109.5° |
| C15 | C16 | H16B | 108.8° | 109.5° |
| C16 | C17 | C18 | 112.8° | 109.5° |
| C16 | C17 | H17B | 108.7° | 109.5° |
| C16 | C17 | H17A | 108.6° | 109.4° |
| C17 | C16 | H16A | 108.8° | 109.5° |
| C17 | C16 | H16B | 108.7° | 109.4° |
| C17 | C18 | O19 | 121.7° | 120.0° |
| C17 | C18 | N20 | 114.1° | 120.0° |
| C18 | C17 | H17B | 108.6° | 109.5° |
| C18 | C17 | H17A | 108.6° | 109.5° |
| O19 | C18 | N20 | 124.2° | 120.0° |
| C18 | N20 | C21 | 129.0° | 120.0° |
| C18 | N20 | H20 | 115.5° | 120.0° |
| N20 | C21 | C22 | 116.9° | 120.0° |
| N20 | C21 | C35 | 123.5° | 119.9° |
| C21 | N20 | H20 | 115.5° | 120.1° |
| C21 | C22 | C23 | 120.3° | 120.0° |
| C22 | C21 | C35 | 119.2° | 120.1° |
| C21 | C22 | H22 | 119.8° | 120.0° |
| C22 | C23 | C24 | 120.9° | 120.0° |
| C23 | C22 | H22 | 119.9° | 120.0° |
| C22 | C23 | H23 | 119.6° | 120.0° |
| C23 | C24 | C25 | 120.6° | 120.1° |
| C23 | C24 | C34 | 118.5° | 119.9° |
| C24 | C23 | H23 | 119.6° | 120.0° |
| C24 | C25 | C26 | 128.3° | 126.6° |
| C25 | C24 | C34 | 120.8° | 120.1° |
| C24 | C25 | C33 | 125.9° | 126.6° |
| C25 | C26 | O27 | 110.9° | 108.6° |
| C26 | C25 | C33 | 105.7° | 106.8° |
| C25 | C26 | H26 | 124.5° | 125.7° |
| C26 | O27 | C28 | 106.4° | 109.7° |
| O27 | C26 | H26 | 124.6° | 125.7° |
| O27 | C28 | C29 | 119.2° | 125.9° |
| O27 | C28 | C33 | 109.8° | 108.3° |
| C28 | C29 | O30 | 124.2° | 120.0° |
| C28 | C29 | O31 | 111.6° | 120.0° |
| C29 | C28 | C33 | 131.1° | 125.8° |
| O30 | C29 | O31 | 124.2° | 120.0° |
| C29 | O31 | C32 | 116.0° | 117.0° |
| O31 | C32 | H32B | 109.5° | 109.5° |
| O31 | C32 | H32A | 109.4° | 109.5° |
| O31 | C32 | H32C | 109.5° | 109.4° |
| C28 | C33 | C25 | 107.2° | 106.6° |
| C28 | C33 | H33 | 126.4° | 126.6° |
| C24 | C34 | C35 | 120.8° | 119.9° |
| C24 | C34 | H34 | 119.6° | 120.0° |
| C34 | C35 | C21 | 120.3° | 120.1° |
| C35 | C34 | H34 | 119.6° | 120.1° |
| C34 | C35 | H35 | 119.9° | 119.9° |
| C13 | C36 | C37 | 121.0° | 121.7° |
| C13 | C36 | H36 | 119.5° | 120.4° |
| C36 | C37 | N38 | 118.4° | 124.5° |
| C36 | C37 | C8 | 119.0° | 114.6° |
| C37 | C36 | H36 | 119.5° | 117.9° |
| C37 | N38 | C39 | 125.7° | 121.2° |
| N38 | C37 | C8 | 122.6° | 120.6° |
| C37 | N38 | H38 | 105.2° | 119.4° |
| N38 | C39 | O40 | 112.1° | 111.1° |
| N38 | C39 | C1 | 113.2° | 101.0° |
| N38 | C39 | H39 | 108.1° | 111.2° |
| C39 | N38 | H38 | 105.3° | 119.4° |
| O40 | C39 | C1 | 107.4° | 111.1° |
| O40 | C39 | H39 | 108.6° | 111.0° |
| C39 | O40 | H40 | 109.5° | 114.0° |
| N5 | C1 | C39 | 111.6° | 106.8° |
| N5 | C1 | H1 | 109.4° | 113.3° |
| C25 | C33 | H33 | 126.4° | 126.7° |
| C21 | C35 | H35 | 119.9° | 120.0° |
| C39 | C1 | H1 | 108.8° | 113.4° |
| C1 | C39 | H39 | 107.2° | 111.1° |
| H2B | C2 | H2A | 109.5° | 110.5° |
| H3B | C3 | H3A | 109.5° | 110.8° |
| H4B | C4 | H4A | 109.5° | 110.7° |
| H12C | C12 | H12B | 109.5° | 109.5° |
| H12C | C12 | H12A | 109.5° | 109.5° |
| H12B | C12 | H12A | 109.5° | 109.5° |
| H17B | C17 | H17A | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.4° | 109.4° |
| H32B | C32 | H32A | 109.5° | 109.5° |
| H32B | C32 | H32C | 109.5° | 109.5° |
| H32A | C32 | H32C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2B | 119.6° | 118.7° |
| C1 | C2 | C3 | H2A | 119.5° | 118.7° |
| C1 | C2 | C3 | C4 | 25.0° | 32.0° |
| C2 | C1 | N5 | C4 | 15.3° | 14.5° |
| C2 | C1 | N5 | C6 | 164.1° | 162.4° |
| C2 | C1 | C39 | N38 | 174.9° | 156.9° |
| C2 | C1 | C39 | O40 | 60.8° | 85.1° |
| C2 | C1 | N5 | C39 | 124.0° | 109.6° |
| C2 | C1 | N5 | H1 | 115.4° | 124.8° |
| C2 | C1 | C39 | H1 | 122.0° | 123.3° |
| C1 | C2 | H2B | H2A | 121.3° | 122.5° |
| C1 | C2 | C3 | H3B | 144.2° | 150.1° |
| C1 | C2 | C3 | H3A | 94.2° | 86.2° |
| C2 | C1 | C39 | H39 | 55.8° | 38.9° |
| C2 | C3 | C4 | H3B | 119.2° | 118.1° |
| C2 | C3 | C4 | H3A | 119.2° | 118.2° |
| C2 | C3 | C4 | N5 | 33.1° | 40.8° |
| C3 | C2 | C1 | N5 | 6.6° | 12.0° |
| C3 | C2 | C1 | C39 | 128.4° | 124.0° |
| C3 | C2 | C1 | H1 | 109.5° | 112.7° |
| C3 | C2 | H2B | H2A | 121.3° | 122.5° |
| C2 | C3 | H3B | H3A | 122.3° | 123.8° |
| C2 | C3 | C4 | H4B | 85.8° | 78.4° |
| C2 | C3 | C4 | H4A | 152.0° | 158.4° |
| C3 | C4 | N5 | H4B | 118.9° | 118.6° |
| C3 | C4 | N5 | H4A | 118.9° | 117.9° |
| C3 | C4 | N5 | C6 | 148.4° | 141.6° |
| C3 | C4 | N5 | C1 | 31.0° | 34.9° |
| C4 | C3 | C2 | H2B | 94.6° | 86.8° |
| C4 | C3 | C2 | H2A | 144.5° | 150.7° |
| C4 | C3 | H3B | H3A | 122.4° | 123.8° |
| C3 | C4 | H4B | H4A | 123.2° | 123.1° |
| C4 | N5 | C6 | C1 | 179.4° | 176.1° |
| C4 | N5 | C6 | O7 | 3.1° | 6.4° |
| C4 | N5 | C6 | C8 | 177.0° | 173.7° |
| C4 | N5 | C1 | C39 | 108.7° | 95.1° |
| C4 | N5 | C1 | H1 | 130.7° | 139.2° |
| N5 | C4 | C3 | H3B | 152.3° | 159.0° |
| N5 | C4 | C3 | H3A | 86.1° | 77.3° |
| N5 | C4 | H4B | H4A | 123.2° | 123.1° |
| N5 | C6 | O7 | C8 | 179.9° | 179.9° |
| N5 | C6 | C8 | C9 | 140.0° | 130.5° |
| N5 | C6 | C8 | C37 | 39.7° | 52.0° |
| C6 | N5 | C1 | C39 | 71.8° | 88.0° |
| C6 | N5 | C1 | H1 | 48.7° | 37.6° |
| C6 | N5 | C4 | H4B | 92.7° | 99.8° |
| C6 | N5 | C4 | H4A | 29.5° | 23.7° |
| O7 | C6 | C8 | C9 | 39.9° | 49.5° |
| O7 | C6 | N5 | C1 | 176.3° | 169.7° |
| O7 | C6 | C8 | C37 | 140.4° | 128.1° |
| C6 | C8 | C9 | C37 | 179.7° | 177.3° |
| C6 | C8 | C9 | C10 | 179.6° | 175.6° |
| C6 | C8 | C37 | C36 | 179.6° | 175.8° |
| C6 | C8 | C37 | N38 | 1.3° | 10.1° |
| C8 | C6 | N5 | C1 | 3.6° | 10.2° |
| C6 | C8 | C9 | H9 | 0.4° | 4.4° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | O11 | 178.4° | 179.7° |
| C8 | C9 | C10 | C13 | 0.1° | 0.3° |
| C9 | C8 | C37 | C36 | 0.1° | 1.7° |
| C9 | C8 | C37 | N38 | 179.0° | 172.4° |
| C9 | C10 | O11 | C13 | 178.6° | 180.0° |
| C9 | C10 | O11 | C12 | 4.1° | 0.0° |
| C9 | C10 | C13 | O14 | 178.3° | 178.0° |
| C9 | C10 | C13 | C36 | 0.2° | 2.0° |
| C10 | C9 | C8 | C37 | 0.0° | 1.7° |
| O11 | C10 | C13 | O14 | 3.0° | 2.0° |
| O11 | C10 | C13 | C36 | 178.5° | 178.0° |
| O11 | C10 | C9 | H9 | 1.6° | 0.3° |
| C10 | O11 | C12 | H12C | 180.0° | 180.0° |
| C10 | O11 | C12 | H12B | 60.0° | 60.0° |
| C10 | O11 | C12 | H12A | 60.0° | 60.0° |
| C12 | O11 | C10 | C13 | 174.5° | 180.0° |
| O11 | C12 | H12C | H12B | 120.0° | 119.9° |
| O11 | C12 | H12C | H12A | 120.0° | 120.0° |
| O11 | C12 | H12B | H12A | 120.0° | 120.0° |
| C10 | C13 | O14 | C36 | 178.5° | 180.0° |
| C10 | C13 | O14 | C15 | 170.8° | 180.0° |
| C10 | C13 | C36 | C37 | 0.2° | 2.0° |
| C13 | C10 | C9 | H9 | 179.9° | 179.7° |
| C10 | C13 | C36 | H36 | 179.8° | 179.6° |
| C13 | O14 | C15 | C16 | 92.6° | 180.0° |
| O14 | C13 | C36 | C37 | 178.2° | 178.0° |
| C13 | O14 | C15 | H15A | 147.4° | 60.0° |
| C13 | O14 | C15 | H15B | 27.5° | 60.0° |
| O14 | C13 | C36 | H36 | 1.8° | 0.4° |
| O14 | C15 | C16 | H15A | 120.0° | 120.0° |
| O14 | C15 | C16 | H15B | 120.0° | 120.0° |
| O14 | C15 | C16 | C17 | 30.0° | 180.0° |
| C15 | O14 | C13 | C36 | 10.8° | 0.0° |
| O14 | C15 | H15A | H15B | 119.9° | 120.0° |
| O14 | C15 | C16 | H16A | 150.5° | 60.0° |
| O14 | C15 | C16 | H16B | 90.4° | 60.0° |
| C15 | C16 | C17 | H16A | 120.4° | 120.0° |
| C15 | C16 | C17 | H16B | 120.5° | 120.0° |
| C15 | C16 | C17 | C18 | 158.0° | 180.0° |
| C15 | C16 | C17 | H17B | 81.5° | 60.0° |
| C15 | C16 | C17 | H17A | 37.5° | 60.0° |
| C16 | C15 | H15A | H15B | 119.9° | 120.0° |
| C15 | C16 | H16A | H16B | 118.7° | 120.0° |
| C16 | C17 | C18 | H17B | 120.5° | 120.0° |
| C16 | C17 | C18 | H17A | 120.5° | 119.9° |
| C16 | C17 | C18 | O19 | 22.3° | 0.1° |
| C16 | C17 | C18 | N20 | 158.0° | 180.0° |
| C16 | C17 | H17B | H17A | 118.5° | 119.9° |
| C17 | C16 | C15 | H15A | 90.0° | 60.0° |
| C17 | C16 | C15 | H15B | 150.1° | 60.0° |
| C17 | C16 | H16A | H16B | 118.7° | 119.9° |
| C17 | C18 | O19 | N20 | 179.6° | 179.9° |
| C17 | C18 | N20 | C21 | 174.4° | 175.4° |
| C18 | C17 | H17B | H17A | 118.5° | 120.0° |
| C18 | C17 | C16 | H16A | 37.5° | 59.9° |
| C18 | C17 | C16 | H16B | 81.6° | 60.0° |
| C17 | C18 | N20 | H20 | 5.5° | 4.7° |
| O19 | C18 | N20 | C21 | 5.2° | 4.5° |
| O19 | C18 | C17 | H17B | 142.8° | 120.0° |
| O19 | C18 | C17 | H17A | 98.1° | 120.0° |
| O19 | C18 | N20 | H20 | 174.9° | 175.4° |
| C18 | N20 | C21 | H20 | 180.0° | 179.9° |
| C18 | N20 | C21 | C22 | 165.1° | 35.0° |
| C18 | N20 | C21 | C35 | 8.2° | 144.9° |
| N20 | C18 | C17 | H17B | 37.5° | 59.9° |
| N20 | C18 | C17 | H17A | 81.5° | 60.1° |
| N20 | C21 | C22 | C35 | 173.6° | 179.9° |
| N20 | C21 | C22 | C23 | 173.2° | 180.0° |
| N20 | C21 | C35 | C34 | 172.7° | 179.5° |
| N20 | C21 | C22 | H22 | 6.9° | 0.3° |
| N20 | C21 | C35 | H35 | 7.2° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 0.1° | 0.2° |
| C22 | C21 | C35 | C34 | 0.4° | 0.4° |
| C21 | C22 | C23 | H23 | 179.9° | 179.7° |
| C22 | C21 | C35 | H35 | 179.6° | 179.8° |
| C22 | C21 | N20 | H20 | 14.9° | 144.9° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 176.0° | 180.0° |
| C22 | C23 | C24 | C34 | 0.2° | 0.1° |
| C23 | C22 | C21 | C35 | 0.4° | 0.0° |
| C23 | C24 | C25 | C34 | 176.1° | 179.9° |
| C23 | C24 | C25 | C26 | 173.9° | 0.1° |
| C23 | C24 | C34 | C35 | 0.2° | 0.5° |
| C23 | C24 | C25 | C33 | 3.7° | 179.7° |
| C24 | C23 | C22 | H22 | 179.9° | 180.0° |
| C23 | C24 | C34 | H34 | 179.8° | 180.0° |
| C24 | C25 | C26 | C33 | 178.0° | 179.7° |
| C24 | C25 | C26 | O27 | 177.9° | 179.9° |
| C24 | C25 | C33 | C28 | 178.0° | 179.9° |
| C25 | C24 | C34 | C35 | 175.9° | 179.5° |
| C25 | C24 | C23 | H23 | 4.0° | 0.0° |
| C24 | C25 | C26 | H26 | 2.1° | 0.1° |
| C24 | C25 | C33 | H33 | 2.0° | 0.3° |
| C25 | C24 | C34 | H34 | 4.1° | 0.0° |
| C25 | C26 | O27 | H26 | 180.0° | 180.0° |
| C25 | C26 | O27 | C28 | 0.0° | 0.2° |
| C26 | C25 | C33 | C28 | 0.0° | 0.3° |
| C26 | C25 | C24 | C34 | 2.2° | 180.0° |
| C26 | C25 | C33 | H33 | 180.0° | 179.9° |
| C26 | O27 | C28 | C29 | 179.8° | 179.9° |
| C26 | O27 | C28 | C33 | 0.0° | 0.0° |
| O27 | C26 | C25 | C33 | 0.0° | 0.3° |
| O27 | C28 | C29 | C33 | 179.8° | 179.8° |
| O27 | C28 | C29 | O30 | 1.2° | 179.8° |
| O27 | C28 | C29 | O31 | 178.9° | 0.2° |
| O27 | C28 | C33 | C25 | 0.0° | 0.2° |
| C28 | O27 | C26 | H26 | 180.0° | 179.9° |
| O27 | C28 | C33 | H33 | 180.0° | 180.0° |
| C28 | C29 | O30 | O31 | 179.8° | 180.0° |
| C28 | C29 | O31 | C32 | 179.9° | 180.0° |
| C29 | C28 | C33 | C25 | 179.8° | 180.0° |
| C29 | C28 | C33 | H33 | 0.2° | 0.2° |
| O30 | C29 | O31 | C32 | 0.2° | 0.1° |
| O30 | C29 | C28 | C33 | 179.0° | 0.0° |
| O31 | C29 | C28 | C33 | 0.8° | 180.0° |
| C29 | O31 | C32 | H32B | 180.0° | 59.9° |
| C29 | O31 | C32 | H32A | 60.0° | 180.0° |
| C29 | O31 | C32 | H32C | 60.0° | 60.1° |
| O31 | C32 | H32B | H32A | 120.0° | 120.1° |
| O31 | C32 | H32B | H32C | 120.0° | 120.0° |
| O31 | C32 | H32A | H32C | 120.0° | 120.0° |
| C28 | C33 | C25 | H33 | 180.0° | 179.8° |
| C24 | C34 | C35 | H34 | 180.0° | 179.5° |
| C34 | C24 | C25 | C33 | 179.8° | 0.3° |
| C24 | C34 | C35 | C21 | 0.1° | 0.7° |
| C34 | C24 | C23 | H23 | 179.8° | 180.0° |
| C24 | C34 | C35 | H35 | 180.0° | 179.9° |
| C34 | C35 | C21 | H35 | 180.0° | 179.4° |
| C13 | C36 | C37 | H36 | 180.0° | 178.4° |
| C13 | C36 | C37 | N38 | 178.9° | 174.0° |
| C13 | C36 | C37 | C8 | 0.2° | 0.1° |
| C36 | C37 | N38 | C8 | 179.1° | 173.6° |
| C36 | C37 | N38 | C39 | 127.9° | 96.8° |
| C36 | C37 | N38 | H38 | 109.9° | 83.1° |
| C37 | N38 | C39 | H38 | 122.2° | 179.9° |
| C37 | N38 | C39 | O40 | 105.3° | 69.5° |
| C37 | N38 | C39 | C1 | 16.3° | 48.4° |
| N38 | C37 | C36 | H36 | 1.1° | 7.5° |
| C37 | N38 | C39 | H39 | 135.0° | 166.3° |
| N38 | C39 | O40 | C1 | 124.9° | 111.6° |
| N38 | C39 | O40 | H39 | 119.4° | 124.3° |
| N38 | C39 | C1 | N5 | 57.8° | 45.8° |
| C39 | N38 | C37 | C8 | 53.0° | 76.7° |
| N38 | C39 | C1 | H39 | 119.2° | 118.0° |
| N38 | C39 | C1 | H1 | 63.1° | 79.7° |
| N38 | C39 | O40 | H40 | 180.0° | 68.4° |
| O40 | C39 | C1 | N5 | 178.0° | 163.8° |
| O40 | C39 | C1 | H39 | 116.6° | 124.1° |
| O40 | C39 | C1 | H1 | 61.1° | 38.2° |
| O40 | C39 | N38 | H38 | 132.5° | 110.4° |
| N5 | C1 | C39 | H1 | 120.9° | 125.6° |
| N5 | C1 | C2 | H2B | 113.0° | 106.8° |
| N5 | C1 | C2 | H2A | 126.1° | 130.7° |
| C1 | N5 | C4 | H4B | 87.9° | 83.8° |
| C1 | N5 | C4 | H4A | 149.9° | 152.8° |
| N5 | C1 | C39 | H39 | 61.4° | 72.1° |
| C33 | C25 | C26 | H26 | 180.0° | 179.8° |
| C35 | C21 | C22 | H22 | 179.6° | 179.8° |
| C21 | C35 | C34 | H34 | 179.9° | 179.8° |
| C35 | C21 | N20 | H20 | 171.9° | 35.2° |
| C37 | C8 | C9 | H9 | 180.0° | 178.4° |
| C8 | C37 | C36 | H36 | 179.8° | 178.6° |
| C8 | C37 | N38 | H38 | 69.2° | 103.4° |
| C39 | C1 | C2 | H2B | 8.9° | 5.2° |
| C39 | C1 | C2 | H2A | 112.1° | 117.3° |
| C1 | C39 | N38 | H38 | 105.8° | 131.7° |
| C1 | C39 | O40 | H40 | 55.1° | 179.9° |
| H1 | C1 | C2 | H2B | 131.0° | 128.6° |
| H1 | C1 | C2 | H2A | 10.1° | 6.0° |
| H1 | C1 | C39 | H39 | 177.7° | 162.3° |
| H2B | C2 | C3 | H3B | 24.6° | 31.4° |
| H2B | C2 | C3 | H3A | 146.2° | 155.1° |
| H2A | C2 | C3 | H3B | 96.3° | 91.2° |
| H2A | C2 | C3 | H3A | 25.3° | 32.6° |
| H3B | C3 | C4 | H4B | 33.4° | 39.7° |
| H3B | C3 | C4 | H4A | 88.8° | 83.4° |
| H3A | C3 | C4 | H4B | 155.0° | 163.4° |
| H3A | C3 | C4 | H4A | 32.8° | 40.3° |
| H12C | C12 | H12B | H12A | 120.0° | 120.1° |
| H17B | C17 | C16 | H16A | 158.0° | 180.0° |
| H17B | C17 | C16 | H16B | 38.9° | 60.1° |
| H17A | C17 | C16 | H16A | 83.0° | 60.0° |
| H17A | C17 | C16 | H16B | 157.9° | 180.0° |
| H22 | C22 | C23 | H23 | 0.1° | 0.0° |
| H15A | C15 | C16 | H16A | 30.5° | 179.9° |
| H15A | C15 | C16 | H16B | 149.6° | 60.0° |
| H15B | C15 | C16 | H16A | 89.5° | 60.0° |
| H15B | C15 | C16 | H16B | 29.6° | 180.0° |
| H32B | C32 | H32A | H32C | 120.0° | 120.0° |
| H34 | C34 | C35 | H35 | 0.0° | 0.4° |
| H39 | C39 | N38 | H38 | 12.8° | 13.8° |
| H39 | C39 | O40 | H40 | 60.6° | 55.8° |
