A1I47
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.55Å | 1.53Å | |
| C2 | C3 | sing | 1.55Å | 1.52Å | |
| C3 | C4 | sing | 1.55Å | 1.52Å | |
| 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 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | O11 | sing | 1.36Å | 1.37Å | |
| O11 | C12 | sing | 1.43Å | 1.43Å | |
| C10 | C13 | doub | 1.40Å | 1.41Å | 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 | 1.42Å | |
| 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 | N25 | sing | 1.40Å | 1.39Å | |
| N25 | C26 | sing | 1.47Å | 1.46Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | N28 | sing | 1.47Å | 1.46Å | |
| N28 | C29 | sing | 1.47Å | 1.46Å | |
| N28 | C30 | sing | 1.47Å | 1.46Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C24 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C34 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C35 | N36 | sing | 1.37Å | 1.40Å | |
| N36 | C37 | sing | 1.49Å | 1.44Å | |
| C37 | O38 | sing | 1.43Å | 1.41Å | |
| N5 | C1 | sing | 1.49Å | 1.47Å | |
| C31 | N25 | sing | 1.47Å | 1.46Å | |
| C33 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C35 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C37 | C1 | sing | 1.61Å | 1.52Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C12 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29C | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| N36 | H36 | sing | 0.97Å | 1.00Å | |
| O38 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 103.3° | 104.4° |
| C2 | C1 | N5 | 102.5° | 105.5° |
| C2 | C1 | C37 | 114.5° | 103.4° |
| C2 | C1 | H1 | 108.8° | 113.5° |
| C1 | C2 | H2A | 111.0° | 110.4° |
| C1 | C2 | H2B | 111.0° | 110.4° |
| C2 | C3 | C4 | 105.1° | 101.8° |
| C3 | C2 | H2A | 111.0° | 110.4° |
| C3 | C2 | H2B | 111.0° | 110.5° |
| C2 | C3 | H3B | 110.5° | 111.0° |
| C2 | C3 | H3A | 110.5° | 110.9° |
| C3 | C4 | N5 | 103.8° | 103.3° |
| C4 | C3 | H3B | 110.6° | 110.9° |
| C4 | C3 | H3A | 110.6° | 111.0° |
| C3 | C4 | H4A | 110.8° | 110.7° |
| C3 | C4 | H4B | 110.9° | 110.7° |
| C4 | N5 | C6 | 121.8° | 130.3° |
| C4 | N5 | C1 | 112.0° | 109.1° |
| N5 | C4 | H4A | 110.9° | 110.5° |
| N5 | C4 | H4B | 110.8° | 110.7° |
| N5 | C6 | O7 | 122.1° | 122.2° |
| N5 | C6 | C8 | 117.7° | 115.6° |
| C6 | N5 | C1 | 126.2° | 120.5° |
| O7 | C6 | C8 | 120.3° | 122.1° |
| C6 | C8 | C9 | 116.6° | 122.8° |
| C6 | C8 | C35 | 123.9° | 114.2° |
| C8 | C9 | C10 | 120.8° | 118.0° |
| C9 | C8 | C35 | 119.6° | 123.0° |
| C8 | C9 | H9 | 119.6° | 121.0° |
| C9 | C10 | O11 | 124.4° | 120.1° |
| C9 | C10 | C13 | 119.8° | 119.8° |
| C10 | C9 | H9 | 119.6° | 121.0° |
| C10 | O11 | C12 | 117.5° | 117.0° |
| O11 | C10 | C13 | 115.8° | 120.1° |
| O11 | C12 | H12A | 109.5° | 109.5° |
| O11 | C12 | H12B | 109.5° | 109.5° |
| O11 | C12 | H12C | 109.5° | 109.4° |
| C10 | C13 | O14 | 117.8° | 119.4° |
| C10 | C13 | C34 | 119.7° | 121.3° |
| C13 | O14 | C15 | 118.7° | 117.0° |
| O14 | C13 | C34 | 122.5° | 119.3° |
| O14 | C15 | C16 | 108.8° | 109.5° |
| O14 | C15 | H15B | 109.6° | 109.5° |
| O14 | C15 | H15A | 109.6° | 109.5° |
| C15 | C16 | C17 | 111.5° | 109.5° |
| C15 | C16 | H16B | 109.0° | 109.5° |
| C15 | C16 | H16A | 109.0° | 109.4° |
| C16 | C15 | H15B | 109.7° | 109.4° |
| C16 | C15 | H15A | 109.6° | 109.5° |
| C16 | C17 | C18 | 114.0° | 109.5° |
| C17 | C16 | H16B | 109.0° | 109.4° |
| C17 | C16 | H16A | 109.0° | 109.5° |
| C16 | C17 | H17A | 108.3° | 109.4° |
| C16 | C17 | H17B | 108.3° | 109.4° |
| C17 | C18 | O19 | 121.5° | 120.0° |
| C17 | C18 | N20 | 114.5° | 120.0° |
| C18 | C17 | H17A | 108.3° | 109.5° |
| C18 | C17 | H17B | 108.3° | 109.5° |
| O19 | C18 | N20 | 124.0° | 120.0° |
| C18 | N20 | C21 | 128.3° | 120.0° |
| C18 | N20 | H20 | 115.8° | 120.0° |
| N20 | C21 | C22 | 120.9° | 120.0° |
| N20 | C21 | C33 | 119.9° | 120.0° |
| C21 | N20 | H20 | 115.9° | 120.0° |
| C21 | C22 | C23 | 120.4° | 120.0° |
| C22 | C21 | C33 | 119.2° | 120.0° |
| C21 | C22 | H22 | 119.8° | 120.0° |
| C22 | C23 | C24 | 120.6° | 120.0° |
| C23 | C22 | H22 | 119.8° | 120.0° |
| C22 | C23 | H23 | 119.7° | 120.0° |
| C23 | C24 | N25 | 120.6° | 120.0° |
| C23 | C24 | C32 | 118.8° | 120.0° |
| C24 | C23 | H23 | 119.7° | 120.0° |
| C24 | N25 | C26 | 117.4° | 111.0° |
| N25 | C24 | C32 | 120.7° | 120.0° |
| C24 | N25 | C31 | 117.5° | 111.0° |
| N25 | C26 | C27 | 110.5° | 109.4° |
| C26 | N25 | C31 | 111.1° | 110.9° |
| N25 | C26 | H26B | 109.2° | 109.5° |
| N25 | C26 | H26A | 109.2° | 109.5° |
| C26 | C27 | N28 | 110.9° | 109.4° |
| C27 | C26 | H26B | 109.2° | 109.5° |
| C27 | C26 | H26A | 109.2° | 109.5° |
| C26 | C27 | H27B | 109.1° | 109.5° |
| C26 | C27 | H27A | 109.1° | 109.5° |
| C27 | N28 | C29 | 110.7° | 111.0° |
| C27 | N28 | C30 | 109.5° | 110.9° |
| N28 | C27 | H27B | 109.1° | 109.5° |
| N28 | C27 | H27A | 109.1° | 109.5° |
| C29 | N28 | C30 | 110.7° | 111.0° |
| N28 | C29 | H29B | 109.5° | 109.5° |
| N28 | C29 | H29A | 109.5° | 109.4° |
| N28 | C29 | H29C | 109.5° | 109.5° |
| N28 | C30 | C31 | 110.9° | 109.3° |
| N28 | C30 | H30B | 109.1° | 109.5° |
| N28 | C30 | H30A | 109.1° | 109.6° |
| C30 | C31 | N25 | 110.5° | 109.4° |
| C31 | C30 | H30B | 109.1° | 109.5° |
| C31 | C30 | H30A | 109.1° | 109.5° |
| C30 | C31 | H31B | 109.2° | 109.5° |
| C30 | C31 | H31A | 109.2° | 109.5° |
| C24 | C32 | C33 | 120.7° | 120.0° |
| C24 | C32 | H32 | 119.6° | 120.0° |
| C32 | C33 | C21 | 120.3° | 120.0° |
| C33 | C32 | H32 | 119.7° | 120.0° |
| C32 | C33 | H33 | 119.8° | 120.0° |
| C13 | C34 | C35 | 121.1° | 119.2° |
| C13 | C34 | H34 | 119.5° | 120.4° |
| C34 | C35 | N36 | 118.5° | 121.4° |
| C34 | C35 | C8 | 119.2° | 118.5° |
| C35 | C34 | H34 | 119.5° | 120.4° |
| C35 | N36 | C37 | 122.1° | 121.2° |
| N36 | C35 | C8 | 122.3° | 120.0° |
| C35 | N36 | H36 | 106.2° | 119.4° |
| N36 | C37 | O38 | 112.1° | 111.1° |
| N36 | C37 | C1 | 113.7° | 101.0° |
| N36 | C37 | H37 | 107.9° | 111.2° |
| C37 | N36 | H36 | 106.2° | 119.4° |
| O38 | C37 | C1 | 107.5° | 111.1° |
| O38 | C37 | H37 | 108.4° | 111.0° |
| C37 | O38 | H38 | 109.5° | 113.9° |
| N5 | C1 | C37 | 112.3° | 105.9° |
| N5 | C1 | H1 | 109.7° | 114.1° |
| N25 | C31 | H31B | 109.2° | 109.5° |
| N25 | C31 | H31A | 109.2° | 109.5° |
| C21 | C33 | H33 | 119.8° | 120.0° |
| C37 | C1 | H1 | 108.9° | 113.5° |
| C1 | C37 | H37 | 107.0° | 111.1° |
| H16B | C16 | H16A | 109.5° | 109.5° |
| H15B | C15 | H15A | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12C | 109.5° | 109.4° |
| H12B | C12 | H12C | 109.4° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.5° |
| H2A | C2 | H2B | 109.5° | 110.5° |
| H26B | C26 | H26A | 109.5° | 109.5° |
| H27B | C27 | H27A | 109.4° | 109.5° |
| H29B | C29 | H29A | 109.5° | 109.5° |
| H29B | C29 | H29C | 109.5° | 109.5° |
| H29A | C29 | H29C | 109.5° | 109.5° |
| H3B | C3 | H3A | 109.5° | 110.9° |
| H30B | C30 | H30A | 109.5° | 109.5° |
| H31B | C31 | H31A | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2A | 119.0° | 118.7° |
| C1 | C2 | C3 | H2B | 119.0° | 118.8° |
| C1 | C2 | C3 | C4 | 35.4° | 32.0° |
| C2 | C1 | N5 | C4 | 21.3° | 12.6° |
| C2 | C1 | N5 | C6 | 157.4° | 162.9° |
| C2 | C1 | C37 | N36 | 134.7° | 157.0° |
| C2 | C1 | C37 | O38 | 100.7° | 85.1° |
| C2 | C1 | N5 | C37 | 123.3° | 109.2° |
| C2 | C1 | N5 | H1 | 115.5° | 125.2° |
| C2 | C1 | C37 | H1 | 122.0° | 123.4° |
| C1 | C2 | H2A | H2B | 122.8° | 122.5° |
| C1 | C2 | C3 | H3B | 83.9° | 150.1° |
| C1 | C2 | C3 | H3A | 154.7° | 86.2° |
| C2 | C1 | C37 | H37 | 15.6° | 39.0° |
| C2 | C3 | C4 | H3B | 119.3° | 118.1° |
| C2 | C3 | C4 | H3A | 119.3° | 118.1° |
| C2 | C3 | C4 | N5 | 22.3° | 39.9° |
| C3 | C2 | C1 | N5 | 34.2° | 13.1° |
| C3 | C2 | C1 | C37 | 87.7° | 124.1° |
| C3 | C2 | C1 | H1 | 150.3° | 112.5° |
| C3 | C2 | H2A | H2B | 122.9° | 122.5° |
| C2 | C3 | H3B | H3A | 122.0° | 123.7° |
| C2 | C3 | C4 | H4A | 141.4° | 78.5° |
| C2 | C3 | C4 | H4B | 96.8° | 158.4° |
| C3 | C4 | N5 | H4A | 119.1° | 118.4° |
| C3 | C4 | N5 | H4B | 119.1° | 118.6° |
| C3 | C4 | N5 | C6 | 179.1° | 141.8° |
| C3 | C4 | N5 | C1 | 0.3° | 33.1° |
| C4 | C3 | C2 | H2A | 154.4° | 86.7° |
| C4 | C3 | C2 | H2B | 83.6° | 150.8° |
| C4 | C3 | H3B | H3A | 122.1° | 123.8° |
| C3 | C4 | H4A | H4B | 122.6° | 123.1° |
| C4 | N5 | C6 | C1 | 178.6° | 174.5° |
| C4 | N5 | C6 | O7 | 44.0° | 6.1° |
| C4 | N5 | C6 | C8 | 135.8° | 174.1° |
| C4 | N5 | C1 | C37 | 102.0° | 96.6° |
| C4 | N5 | C1 | H1 | 136.8° | 137.8° |
| N5 | C4 | C3 | H3B | 97.0° | 158.0° |
| N5 | C4 | C3 | H3A | 141.6° | 78.3° |
| N5 | C4 | H4A | H4B | 122.6° | 123.0° |
| N5 | C6 | O7 | C8 | 179.8° | 179.8° |
| N5 | C6 | C8 | C9 | 165.9° | 130.2° |
| N5 | C6 | C8 | C35 | 13.9° | 51.0° |
| C6 | N5 | C1 | C37 | 79.3° | 87.8° |
| C6 | N5 | C1 | H1 | 41.9° | 37.7° |
| C6 | N5 | C4 | H4A | 61.8° | 99.7° |
| C6 | N5 | C4 | H4B | 60.0° | 23.3° |
| O7 | C6 | C8 | C9 | 14.3° | 49.7° |
| O7 | C6 | N5 | C1 | 134.6° | 168.4° |
| O7 | C6 | C8 | C35 | 165.9° | 129.2° |
| C6 | C8 | C9 | C35 | 179.8° | 178.8° |
| C6 | C8 | C9 | C10 | 179.8° | 175.6° |
| C6 | C8 | C35 | C34 | 179.7° | 174.1° |
| C6 | C8 | C35 | N36 | 1.1° | 8.4° |
| C8 | C6 | N5 | C1 | 45.6° | 11.4° |
| C6 | C8 | C9 | H9 | 0.2° | 4.4° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | O11 | 178.1° | 179.8° |
| C8 | C9 | C10 | C13 | 0.1° | 0.2° |
| C9 | C8 | C35 | C34 | 0.1° | 4.8° |
| C9 | C8 | C35 | N36 | 179.1° | 172.7° |
| C9 | C10 | O11 | C13 | 178.3° | 180.0° |
| C9 | C10 | O11 | C12 | 2.3° | 0.0° |
| C9 | C10 | C13 | O14 | 177.8° | 178.0° |
| C9 | C10 | C13 | C34 | 0.2° | 1.9° |
| C10 | C9 | C8 | C35 | 0.0° | 3.2° |
| O11 | C10 | C13 | O14 | 3.8° | 2.0° |
| O11 | C10 | C13 | C34 | 178.2° | 178.0° |
| O11 | C10 | C9 | H9 | 1.9° | 0.3° |
| C10 | O11 | C12 | H12A | 180.0° | 59.9° |
| C10 | O11 | C12 | H12B | 60.0° | 180.0° |
| C10 | O11 | C12 | H12C | 60.0° | 60.0° |
| C12 | O11 | C10 | C13 | 179.3° | 179.9° |
| O11 | C12 | H12A | H12B | 120.0° | 120.1° |
| O11 | C12 | H12A | H12C | 120.0° | 119.9° |
| O11 | C12 | H12B | H12C | 120.0° | 120.0° |
| C10 | C13 | O14 | C34 | 178.0° | 180.0° |
| C10 | C13 | O14 | C15 | 69.0° | 180.0° |
| C10 | C13 | C34 | C35 | 0.2° | 0.4° |
| C13 | C10 | C9 | H9 | 179.8° | 179.8° |
| C10 | C13 | C34 | H34 | 179.8° | 179.7° |
| C13 | O14 | C15 | C16 | 166.5° | 180.0° |
| O14 | C13 | C34 | C35 | 177.8° | 179.6° |
| C13 | O14 | C15 | H15B | 46.6° | 60.0° |
| C13 | O14 | C15 | H15A | 73.6° | 60.0° |
| O14 | C13 | C34 | H34 | 2.2° | 0.3° |
| O14 | C15 | C16 | H15B | 119.9° | 120.0° |
| O14 | C15 | C16 | H15A | 119.9° | 120.0° |
| O14 | C15 | C16 | C17 | 166.9° | 180.0° |
| C15 | O14 | C13 | C34 | 109.0° | 0.0° |
| O14 | C15 | C16 | H16B | 72.8° | 60.0° |
| O14 | C15 | C16 | H16A | 46.6° | 60.0° |
| O14 | C15 | H15B | H15A | 120.3° | 120.0° |
| C15 | C16 | C17 | H16B | 120.3° | 120.0° |
| C15 | C16 | C17 | H16A | 120.3° | 120.0° |
| C15 | C16 | C17 | C18 | 170.6° | 180.0° |
| C15 | C16 | H16B | H16A | 119.1° | 120.0° |
| C16 | C15 | H15B | H15A | 120.3° | 120.0° |
| C15 | C16 | C17 | H17A | 68.7° | 60.0° |
| C15 | C16 | C17 | H17B | 49.9° | 60.0° |
| C16 | C17 | C18 | H17A | 120.7° | 120.0° |
| C16 | C17 | C18 | H17B | 120.6° | 120.0° |
| C16 | C17 | C18 | O19 | 76.5° | 0.0° |
| C16 | C17 | C18 | N20 | 103.2° | 180.0° |
| C17 | C16 | H16B | H16A | 119.1° | 120.0° |
| C17 | C16 | C15 | H15B | 47.0° | 60.0° |
| C17 | C16 | C15 | H15A | 73.2° | 60.0° |
| C16 | C17 | H17A | H17B | 117.9° | 119.9° |
| C17 | C18 | O19 | N20 | 179.6° | 179.9° |
| C17 | C18 | N20 | C21 | 176.8° | 174.7° |
| C18 | C17 | C16 | H16B | 50.3° | 60.0° |
| C18 | C17 | C16 | H16A | 69.1° | 60.0° |
| C18 | C17 | H17A | H17B | 117.9° | 120.0° |
| C17 | C18 | N20 | H20 | 3.3° | 5.4° |
| O19 | C18 | N20 | C21 | 3.6° | 5.2° |
| O19 | C18 | C17 | H17A | 162.8° | 119.9° |
| O19 | C18 | C17 | H17B | 44.1° | 120.0° |
| O19 | C18 | N20 | H20 | 176.4° | 174.7° |
| C18 | N20 | C21 | H20 | 180.0° | 179.9° |
| C18 | N20 | C21 | C22 | 34.1° | 33.4° |
| C18 | N20 | C21 | C33 | 146.0° | 146.6° |
| N20 | C18 | C17 | H17A | 17.5° | 60.0° |
| N20 | C18 | C17 | H17B | 136.2° | 60.0° |
| N20 | C21 | C22 | C33 | 180.0° | 180.0° |
| N20 | C21 | C22 | C23 | 180.0° | 180.0° |
| N20 | C21 | C33 | C32 | 180.0° | 179.5° |
| N20 | C21 | C22 | H22 | 0.0° | 0.3° |
| N20 | C21 | C33 | H33 | 0.0° | 0.3° |
| C21 | C22 | C23 | H22 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 0.0° | 0.3° |
| C22 | C21 | C33 | C32 | 0.0° | 0.5° |
| C21 | C22 | C23 | H23 | 180.0° | 179.8° |
| C22 | C21 | C33 | H33 | 179.9° | 179.7° |
| C22 | C21 | N20 | H20 | 145.9° | 146.7° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | N25 | 179.2° | 180.0° |
| C22 | C23 | C24 | C32 | 0.1° | 0.0° |
| C23 | C22 | C21 | C33 | 0.0° | 0.0° |
| C23 | C24 | N25 | C32 | 179.3° | 180.0° |
| C23 | C24 | N25 | C26 | 5.4° | 56.2° |
| C23 | C24 | C32 | C33 | 0.1° | 0.5° |
| C23 | C24 | N25 | C31 | 141.9° | 180.0° |
| C24 | C23 | C22 | H22 | 180.0° | 180.0° |
| C23 | C24 | C32 | H32 | 179.9° | 180.0° |
| C24 | N25 | C26 | C31 | 139.1° | 123.9° |
| C24 | N25 | C26 | C27 | 165.2° | 176.8° |
| C24 | N25 | C31 | C30 | 165.2° | 176.8° |
| N25 | C24 | C32 | C33 | 179.3° | 179.5° |
| N25 | C24 | C23 | H23 | 0.8° | 0.0° |
| C24 | N25 | C26 | H26B | 45.0° | 63.2° |
| C24 | N25 | C26 | H26A | 74.7° | 56.8° |
| C24 | N25 | C31 | H31B | 45.1° | 56.8° |
| C24 | N25 | C31 | H31A | 74.6° | 63.2° |
| N25 | C24 | C32 | H32 | 0.8° | 0.0° |
| N25 | C26 | C27 | H26B | 120.2° | 119.9° |
| N25 | C26 | C27 | H26A | 120.1° | 120.0° |
| N25 | C26 | C27 | N28 | 57.4° | 58.4° |
| C26 | N25 | C31 | C30 | 55.7° | 59.3° |
| C26 | N25 | C24 | C32 | 173.9° | 123.8° |
| N25 | C26 | H26B | H26A | 119.5° | 120.1° |
| N25 | C26 | C27 | H27B | 62.8° | 61.6° |
| N25 | C26 | C27 | H27A | 177.6° | 178.3° |
| C26 | N25 | C31 | H31B | 175.9° | 179.3° |
| C26 | N25 | C31 | H31A | 64.4° | 60.7° |
| C26 | C27 | N28 | H27B | 120.2° | 120.0° |
| C26 | C27 | N28 | H27A | 120.2° | 119.9° |
| C26 | C27 | N28 | C29 | 179.2° | 176.8° |
| C26 | C27 | N28 | C30 | 58.5° | 59.4° |
| C27 | C26 | N25 | C31 | 55.8° | 59.3° |
| C27 | C26 | H26B | H26A | 119.5° | 120.0° |
| C26 | C27 | H27B | H27A | 119.4° | 120.1° |
| C27 | N28 | C29 | C30 | 121.6° | 123.8° |
| C27 | N28 | C30 | C31 | 58.5° | 59.3° |
| N28 | C27 | C26 | H26B | 177.6° | 61.5° |
| N28 | C27 | C26 | H26A | 62.7° | 178.4° |
| N28 | C27 | H27B | H27A | 119.3° | 120.0° |
| C27 | N28 | C29 | H29B | 180.0° | 60.0° |
| C27 | N28 | C29 | H29A | 60.0° | 180.0° |
| C27 | N28 | C29 | H29C | 60.0° | 60.0° |
| C27 | N28 | C30 | H30B | 61.7° | 179.3° |
| C27 | N28 | C30 | H30A | 178.7° | 60.6° |
| C29 | N28 | C30 | C31 | 179.2° | 176.8° |
| C29 | N28 | C27 | H27B | 60.6° | 63.2° |
| C29 | N28 | C27 | H27A | 58.9° | 56.9° |
| N28 | C29 | H29B | H29A | 120.0° | 120.0° |
| N28 | C29 | H29B | H29C | 120.0° | 120.0° |
| N28 | C29 | H29A | H29C | 120.0° | 120.0° |
| C29 | N28 | C30 | H30B | 60.6° | 56.9° |
| C29 | N28 | C30 | H30A | 59.0° | 63.2° |
| N28 | C30 | C31 | H30B | 120.2° | 120.0° |
| N28 | C30 | C31 | H30A | 120.2° | 120.0° |
| N28 | C30 | C31 | N25 | 57.4° | 58.4° |
| C30 | N28 | C27 | H27B | 61.7° | 60.6° |
| C30 | N28 | C27 | H27A | 178.8° | 179.3° |
| C30 | N28 | C29 | H29B | 58.4° | 176.2° |
| C30 | N28 | C29 | H29A | 61.6° | 56.2° |
| C30 | N28 | C29 | H29C | 178.4° | 63.8° |
| N28 | C30 | H30B | H30A | 119.4° | 120.2° |
| N28 | C30 | C31 | H31B | 177.5° | 178.4° |
| N28 | C30 | C31 | H31A | 62.8° | 61.6° |
| C30 | C31 | N25 | H31B | 120.2° | 120.0° |
| C30 | C31 | N25 | H31A | 120.1° | 120.0° |
| C31 | C30 | H30B | H30A | 119.3° | 120.0° |
| C30 | C31 | H31B | H31A | 119.5° | 120.0° |
| C24 | C32 | C33 | H32 | 180.0° | 179.5° |
| C32 | C24 | N25 | C31 | 37.5° | 0.0° |
| C24 | C32 | C33 | C21 | 0.0° | 0.8° |
| C32 | C24 | C23 | H23 | 179.9° | 180.0° |
| C24 | C32 | C33 | H33 | 180.0° | 180.0° |
| C32 | C33 | C21 | H33 | 180.0° | 179.2° |
| C13 | C34 | C35 | H34 | 180.0° | 179.9° |
| C13 | C34 | C35 | N36 | 179.2° | 174.6° |
| C13 | C34 | C35 | C8 | 0.0° | 2.9° |
| C34 | C35 | N36 | C8 | 179.2° | 177.4° |
| C34 | C35 | N36 | C37 | 116.4° | 99.3° |
| C34 | C35 | N36 | H36 | 121.9° | 80.7° |
| C35 | N36 | C37 | H36 | 121.8° | 180.0° |
| C35 | N36 | C37 | O38 | 65.6° | 69.6° |
| C35 | N36 | C37 | C1 | 56.6° | 48.3° |
| N36 | C35 | C34 | H34 | 0.8° | 5.5° |
| C35 | N36 | C37 | H37 | 175.1° | 166.2° |
| N36 | C37 | O38 | C1 | 125.7° | 111.6° |
| N36 | C37 | O38 | H37 | 119.0° | 124.3° |
| N36 | C37 | C1 | N5 | 18.3° | 46.3° |
| C37 | N36 | C35 | C8 | 64.4° | 78.1° |
| N36 | C37 | C1 | H37 | 119.1° | 118.0° |
| N36 | C37 | C1 | H1 | 103.3° | 79.7° |
| N36 | C37 | O38 | H38 | 180.0° | 68.4° |
| O38 | C37 | C1 | N5 | 143.0° | 164.3° |
| O38 | C37 | C1 | H37 | 116.3° | 124.0° |
| O38 | C37 | C1 | H1 | 21.3° | 38.3° |
| O38 | C37 | N36 | H36 | 172.7° | 110.4° |
| N5 | C1 | C37 | H1 | 121.6° | 126.0° |
| N5 | C1 | C2 | H2A | 153.2° | 105.6° |
| N5 | C1 | C2 | H2B | 84.8° | 131.9° |
| N5 | C1 | C37 | H37 | 100.8° | 71.7° |
| C1 | N5 | C4 | H4A | 119.4° | 85.3° |
| C1 | N5 | C4 | H4B | 118.8° | 151.7° |
| C31 | N25 | C26 | H26B | 175.9° | 60.7° |
| C31 | N25 | C26 | H26A | 64.4° | 179.3° |
| N25 | C31 | C30 | H30B | 62.8° | 178.4° |
| N25 | C31 | C30 | H30A | 177.6° | 61.6° |
| N25 | C31 | H31B | H31A | 119.5° | 120.0° |
| C33 | C21 | C22 | H22 | 180.0° | 179.7° |
| C21 | C33 | C32 | H32 | 179.9° | 179.7° |
| C33 | C21 | N20 | H20 | 34.0° | 33.3° |
| C35 | C8 | C9 | H9 | 180.0° | 176.8° |
| C8 | C35 | C34 | H34 | 180.0° | 177.1° |
| C8 | C35 | N36 | H36 | 57.3° | 101.9° |
| C37 | C1 | C2 | H2A | 31.3° | 5.4° |
| C37 | C1 | C2 | H2B | 153.3° | 117.1° |
| C1 | C37 | N36 | H36 | 65.1° | 131.7° |
| C1 | C37 | O38 | H38 | 54.3° | 180.0° |
| H22 | C22 | C23 | H23 | 0.0° | 0.0° |
| H16B | C16 | C15 | H15B | 167.3° | 60.0° |
| H16B | C16 | C15 | H15A | 47.1° | 180.0° |
| H16B | C16 | C17 | H17A | 171.0° | 180.0° |
| H16B | C16 | C17 | H17B | 70.4° | 60.1° |
| H16A | C16 | C15 | H15B | 73.3° | 180.0° |
| H16A | C16 | C15 | H15A | 166.5° | 60.0° |
| H16A | C16 | C17 | H17A | 51.6° | 60.0° |
| H16A | C16 | C17 | H17B | 170.2° | 180.0° |
| H12A | C12 | H12B | H12C | 120.0° | 119.9° |
| H1 | C1 | C2 | H2A | 90.7° | 128.7° |
| H1 | C1 | C2 | H2B | 31.3° | 6.2° |
| H1 | C1 | C37 | H37 | 137.6° | 162.3° |
| H2A | C2 | C3 | H3B | 35.1° | 31.4° |
| H2A | C2 | C3 | H3A | 86.3° | 155.1° |
| H2B | C2 | C3 | H3B | 157.1° | 91.1° |
| H2B | C2 | C3 | H3A | 35.7° | 32.6° |
| H26B | C26 | C27 | H27B | 57.3° | 178.5° |
| H26B | C26 | C27 | H27A | 62.2° | 58.4° |
| H26A | C26 | C27 | H27B | 177.0° | 58.4° |
| H26A | C26 | C27 | H27A | 57.5° | 61.6° |
| H29B | C29 | H29A | H29C | 120.0° | 120.1° |
| H3B | C3 | C4 | H4A | 22.1° | 39.7° |
| H3B | C3 | C4 | H4B | 144.0° | 83.4° |
| H3A | C3 | C4 | H4A | 99.3° | 163.4° |
| H3A | C3 | C4 | H4B | 22.5° | 40.3° |
| H30B | C30 | C31 | H31B | 57.3° | 61.6° |
| H30B | C30 | C31 | H31A | 177.0° | 58.4° |
| H30A | C30 | C31 | H31B | 62.3° | 58.4° |
| H30A | C30 | C31 | H31A | 57.4° | 178.4° |
| H32 | C32 | C33 | H33 | 0.0° | 0.5° |
| H37 | C37 | N36 | H36 | 53.4° | 13.8° |
| H37 | C37 | O38 | H38 | 61.0° | 55.9° |
