A1JIL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C2 | N3 | sing | 1.46Å | 1.45Å | |
| N3 | C4 | sing | 1.47Å | 1.46Å | |
| N3 | C5 | sing | 1.35Å | 1.35Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.56Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | O10 | sing | 1.43Å | 1.43Å | |
| C6 | S11 | sing | 1.81Å | 1.82Å | |
| S11 | C12 | sing | 1.81Å | 1.81Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | N15 | sing | 1.46Å | 1.46Å | |
| N15 | N16 | sing | 1.29Å | 1.35Å | Aromatic |
| N16 | N17 | doub | 1.29Å | 1.31Å | Aromatic |
| N17 | C18 | sing | 1.35Å | 1.36Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.46Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.36Å | Aromatic |
| C21 | F22 | sing | 1.35Å | 1.35Å | |
| C19 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C24 | F25 | sing | 1.35Å | 1.35Å | |
| C24 | C26 | sing | 1.39Å | 1.37Å | Aromatic |
| C26 | F27 | sing | 1.35Å | 1.34Å | |
| C18 | C28 | doub | 1.36Å | 1.37Å | Aromatic |
| C13 | O29 | sing | 1.43Å | 1.43Å | |
| C12 | O30 | sing | 1.43Å | 1.43Å | |
| O30 | C31 | sing | 1.43Å | 1.45Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C32 | O33 | sing | 1.43Å | 1.42Å | |
| C31 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | O35 | sing | 1.43Å | 1.43Å | |
| C5 | O36 | doub | 1.21Å | 1.22Å | |
| C34 | C14 | sing | 1.53Å | 1.53Å | |
| C28 | N15 | sing | 1.35Å | 1.34Å | Aromatic |
| C26 | C21 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C4 | H4C | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C8 | H8C | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C9 | H9C | sing | 1.09Å | 1.10Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| O29 | H29 | sing | 0.97Å | 0.95Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| O33 | H33 | sing | 0.97Å | 0.95Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| O35 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N3 | 112.9° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C1 | C2 | H2A | 108.6° | 109.5° |
| C1 | C2 | H2B | 108.6° | 109.5° |
| C2 | N3 | C4 | 115.0° | 120.0° |
| C2 | N3 | C5 | 123.9° | 120.0° |
| N3 | C2 | H2A | 108.6° | 109.5° |
| N3 | C2 | H2B | 108.6° | 109.5° |
| C4 | N3 | C5 | 121.1° | 120.0° |
| N3 | C4 | H4A | 109.5° | 109.5° |
| N3 | C4 | H4B | 109.5° | 109.5° |
| N3 | C4 | H4C | 109.5° | 109.5° |
| N3 | C5 | C6 | 120.6° | 120.1° |
| N3 | C5 | O36 | 120.5° | 119.9° |
| C5 | C6 | C7 | 113.1° | 109.5° |
| C5 | C6 | S11 | 111.0° | 109.5° |
| C6 | C5 | O36 | 118.9° | 120.0° |
| C5 | C6 | H6 | 107.7° | 109.5° |
| C6 | C7 | C8 | 113.5° | 109.4° |
| C6 | C7 | C9 | 111.2° | 109.5° |
| C6 | C7 | O10 | 106.2° | 109.5° |
| C7 | C6 | S11 | 112.4° | 109.5° |
| C7 | C6 | H6 | 107.3° | 109.5° |
| C8 | C7 | C9 | 111.0° | 109.5° |
| C8 | C7 | O10 | 106.3° | 109.5° |
| C7 | C8 | H8A | 109.5° | 109.5° |
| C7 | C8 | H8B | 109.4° | 109.5° |
| C7 | C8 | H8C | 109.5° | 109.5° |
| C9 | C7 | O10 | 108.3° | 109.4° |
| C7 | C9 | H9A | 109.5° | 109.5° |
| C7 | C9 | H9B | 109.5° | 109.5° |
| C7 | C9 | H9C | 109.5° | 109.4° |
| C7 | O10 | H10 | 109.5° | 114.0° |
| C6 | S11 | C12 | 101.4° | 103.0° |
| S11 | C6 | H6 | 104.8° | 109.5° |
| S11 | C12 | C13 | 109.5° | 109.5° |
| S11 | C12 | O30 | 106.2° | 109.5° |
| S11 | C12 | H12 | 107.4° | 109.5° |
| C12 | C13 | C14 | 107.4° | 109.1° |
| C12 | C13 | O29 | 109.7° | 109.5° |
| C13 | C12 | O30 | 110.7° | 109.4° |
| C12 | C13 | H13 | 109.6° | 109.6° |
| C13 | C12 | H12 | 110.6° | 109.5° |
| C13 | C14 | N15 | 112.1° | 109.5° |
| C14 | C13 | O29 | 109.0° | 109.5° |
| C13 | C14 | C34 | 112.3° | 109.0° |
| C14 | C13 | H13 | 109.8° | 109.5° |
| C13 | C14 | H14 | 107.0° | 109.5° |
| C14 | N15 | N16 | 119.9° | 125.8° |
| N15 | C14 | C34 | 110.4° | 109.6° |
| C14 | N15 | C28 | 129.2° | 125.7° |
| N15 | C14 | H14 | 107.8° | 109.5° |
| N15 | N16 | N17 | 107.0° | 110.5° |
| N16 | N15 | C28 | 110.8° | 108.5° |
| N16 | N17 | C18 | 109.1° | 108.8° |
| N17 | C18 | C19 | 122.0° | 126.9° |
| N17 | C18 | C28 | 107.9° | 106.2° |
| C18 | C19 | C20 | 119.8° | 120.1° |
| C18 | C19 | C23 | 120.2° | 120.1° |
| C19 | C18 | C28 | 130.0° | 126.9° |
| C19 | C20 | C21 | 118.9° | 119.9° |
| C20 | C19 | C23 | 119.9° | 119.8° |
| C19 | C20 | H20 | 120.5° | 120.1° |
| C20 | C21 | F22 | 119.7° | 120.0° |
| C20 | C21 | C26 | 121.8° | 120.1° |
| C21 | C20 | H20 | 120.5° | 120.0° |
| F22 | C21 | C26 | 118.5° | 120.0° |
| C19 | C23 | C24 | 118.9° | 120.0° |
| C19 | C23 | H23 | 120.5° | 120.0° |
| C23 | C24 | F25 | 120.1° | 120.0° |
| C23 | C24 | C26 | 121.6° | 120.0° |
| C24 | C23 | H23 | 120.6° | 120.0° |
| F25 | C24 | C26 | 118.3° | 119.9° |
| C24 | C26 | F27 | 120.1° | 119.9° |
| C24 | C26 | C21 | 118.8° | 120.2° |
| F27 | C26 | C21 | 121.2° | 119.9° |
| C18 | C28 | N15 | 105.1° | 106.0° |
| C18 | C28 | H28 | 127.5° | 127.0° |
| O29 | C13 | H13 | 111.2° | 109.6° |
| C13 | O29 | H29 | 109.5° | 114.0° |
| C12 | O30 | C31 | 112.7° | 114.1° |
| O30 | C12 | H12 | 112.2° | 109.5° |
| O30 | C31 | C32 | 106.8° | 109.5° |
| O30 | C31 | C34 | 108.7° | 109.4° |
| O30 | C31 | H31 | 110.4° | 109.4° |
| C31 | C32 | O33 | 110.1° | 109.4° |
| C32 | C31 | C34 | 112.1° | 109.5° |
| C32 | C31 | H31 | 109.5° | 109.5° |
| C31 | C32 | H32A | 109.3° | 109.4° |
| C31 | C32 | H32B | 109.3° | 109.5° |
| O33 | C32 | H32A | 109.3° | 109.5° |
| O33 | C32 | H32B | 109.3° | 109.5° |
| C32 | O33 | H33 | 109.5° | 114.0° |
| C31 | C34 | O35 | 110.4° | 109.5° |
| C31 | C34 | C14 | 108.9° | 109.2° |
| C34 | C31 | H31 | 109.3° | 109.5° |
| C31 | C34 | H34 | 109.2° | 109.5° |
| O35 | C34 | C14 | 108.7° | 109.5° |
| O35 | C34 | H34 | 110.5° | 109.6° |
| C34 | O35 | H35 | 109.5° | 114.0° |
| C34 | C14 | H14 | 107.0° | 109.6° |
| C14 | C34 | H34 | 109.1° | 109.5° |
| N15 | C28 | H28 | 127.5° | 127.0° |
| H4A | C4 | H4B | 109.4° | 109.5° |
| H4A | C4 | H4C | 109.5° | 109.5° |
| H4B | C4 | H4C | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.4° |
| H8A | C8 | H8C | 109.5° | 109.5° |
| H8B | C8 | H8C | 109.4° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.4° |
| H1A | C1 | H1C | 109.5° | 109.4° |
| H1B | C1 | H1C | 109.4° | 109.5° |
| H2A | C2 | H2B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9C | 109.4° | 109.5° |
| H9B | C9 | H9C | 109.5° | 109.4° |
| H32A | C32 | H32B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N3 | H2A | 120.5° | 120.0° |
| C1 | C2 | N3 | H2B | 120.5° | 120.0° |
| C1 | C2 | N3 | C4 | 78.4° | 90.0° |
| C1 | C2 | N3 | C5 | 103.0° | 90.3° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1C | 120.0° | 120.0° |
| C2 | C1 | H1B | H1C | 120.0° | 120.1° |
| C1 | C2 | H2A | H2B | 118.4° | 120.0° |
| C2 | N3 | C4 | C5 | 178.6° | 179.7° |
| C2 | N3 | C5 | C6 | 1.1° | 174.7° |
| C2 | N3 | C5 | O36 | 178.2° | 5.4° |
| C2 | N3 | C4 | H4A | 180.0° | 93.7° |
| C2 | N3 | C4 | H4B | 60.0° | 26.3° |
| C2 | N3 | C4 | H4C | 60.0° | 146.3° |
| N3 | C2 | C1 | H1A | 180.0° | 60.0° |
| N3 | C2 | C1 | H1B | 60.0° | 59.9° |
| N3 | C2 | C1 | H1C | 60.0° | 179.9° |
| N3 | C2 | H2A | H2B | 118.4° | 120.0° |
| C4 | N3 | C5 | C6 | 179.6° | 5.0° |
| C4 | N3 | C5 | O36 | 0.3° | 174.9° |
| N3 | C4 | H4A | H4B | 120.0° | 120.0° |
| N3 | C4 | H4A | H4C | 120.0° | 120.0° |
| N3 | C4 | H4B | H4C | 120.0° | 120.0° |
| C4 | N3 | C2 | H2A | 161.1° | 150.0° |
| C4 | N3 | C2 | H2B | 42.1° | 30.0° |
| N3 | C5 | C6 | O36 | 179.3° | 180.0° |
| N3 | C5 | C6 | C7 | 122.7° | 98.4° |
| N3 | C5 | C6 | S11 | 109.8° | 141.5° |
| C5 | N3 | C4 | H4A | 1.3° | 86.6° |
| C5 | N3 | C4 | H4B | 118.7° | 153.4° |
| C5 | N3 | C4 | H4C | 121.3° | 33.4° |
| N3 | C5 | C6 | H6 | 4.3° | 21.5° |
| C5 | N3 | C2 | H2A | 17.5° | 29.7° |
| C5 | N3 | C2 | H2B | 136.6° | 149.7° |
| C5 | C6 | C7 | S11 | 126.7° | 120.0° |
| C5 | C6 | C7 | H6 | 118.6° | 120.0° |
| C5 | C6 | C7 | C8 | 79.5° | 62.0° |
| C5 | C6 | C7 | C9 | 46.5° | 58.1° |
| C5 | C6 | C7 | O10 | 164.1° | 178.0° |
| C5 | C6 | S11 | H6 | 116.0° | 120.0° |
| C5 | C6 | S11 | C12 | 88.4° | 161.8° |
| C6 | C7 | C8 | C9 | 126.1° | 120.1° |
| C6 | C7 | C8 | O10 | 116.4° | 120.0° |
| C6 | C7 | C9 | O10 | 116.3° | 120.0° |
| C7 | C6 | S11 | H6 | 116.2° | 120.0° |
| C7 | C6 | S11 | C12 | 143.7° | 78.1° |
| C7 | C6 | C5 | O36 | 58.0° | 81.5° |
| C6 | C7 | C8 | H8A | 180.0° | 64.6° |
| C6 | C7 | C8 | H8B | 60.0° | 175.4° |
| C6 | C7 | C8 | H8C | 60.0° | 55.4° |
| C6 | C7 | C9 | H9A | 180.0° | 64.8° |
| C6 | C7 | C9 | H9B | 60.0° | 175.1° |
| C6 | C7 | C9 | H9C | 60.0° | 55.2° |
| C6 | C7 | O10 | H10 | 180.0° | 175.0° |
| C8 | C7 | C9 | O10 | 116.3° | 120.0° |
| C8 | C7 | C6 | S11 | 47.2° | 58.0° |
| C8 | C7 | C6 | H6 | 161.9° | 178.0° |
| C7 | C8 | H8A | H8B | 120.0° | 120.0° |
| C7 | C8 | H8A | H8C | 120.0° | 120.1° |
| C7 | C8 | H8B | H8C | 120.0° | 120.1° |
| C8 | C7 | C9 | H9A | 52.7° | 175.1° |
| C8 | C7 | C9 | H9B | 67.4° | 55.1° |
| C8 | C7 | C9 | H9C | 172.7° | 64.8° |
| C8 | C7 | O10 | H10 | 58.8° | 65.1° |
| C9 | C7 | C6 | S11 | 173.2° | 178.1° |
| C9 | C7 | C6 | H6 | 72.1° | 61.9° |
| C9 | C7 | C8 | H8A | 53.9° | 55.4° |
| C9 | C7 | C8 | H8B | 173.9° | 64.5° |
| C9 | C7 | C8 | H8C | 66.1° | 175.5° |
| C7 | C9 | H9A | H9B | 120.0° | 120.1° |
| C7 | C9 | H9A | H9C | 120.0° | 120.0° |
| C7 | C9 | H9B | H9C | 120.0° | 119.9° |
| C9 | C7 | O10 | H10 | 60.5° | 54.9° |
| O10 | C7 | C6 | S11 | 69.2° | 61.9° |
| O10 | C7 | C6 | H6 | 45.5° | 58.1° |
| O10 | C7 | C8 | H8A | 63.6° | 175.4° |
| O10 | C7 | C8 | H8B | 56.4° | 55.5° |
| O10 | C7 | C8 | H8C | 176.3° | 64.5° |
| O10 | C7 | C9 | H9A | 63.6° | 55.2° |
| O10 | C7 | C9 | H9B | 176.3° | 64.9° |
| O10 | C7 | C9 | H9C | 56.3° | 175.2° |
| C6 | S11 | C12 | C13 | 172.3° | 158.7° |
| C6 | S11 | C12 | O30 | 52.7° | 81.3° |
| S11 | C6 | C5 | O36 | 69.5° | 38.5° |
| C6 | S11 | C12 | H12 | 67.5° | 38.7° |
| S11 | C12 | C13 | O30 | 116.8° | 120.0° |
| S11 | C12 | C13 | H12 | 118.1° | 120.0° |
| S11 | C12 | C13 | C14 | 173.0° | 177.6° |
| S11 | C12 | C13 | O29 | 68.6° | 62.6° |
| S11 | C12 | O30 | H12 | 117.1° | 120.0° |
| S11 | C12 | O30 | C31 | 178.0° | 178.9° |
| C12 | S11 | C6 | H6 | 27.6° | 41.9° |
| S11 | C12 | C13 | H13 | 53.7° | 57.6° |
| C12 | C13 | C14 | O29 | 118.8° | 119.9° |
| C12 | C13 | C14 | H13 | 119.2° | 120.0° |
| C12 | C13 | C14 | N15 | 179.0° | 176.9° |
| C12 | C13 | O29 | H13 | 121.4° | 120.2° |
| C13 | C12 | O30 | H12 | 124.1° | 120.0° |
| C13 | C12 | O30 | C31 | 63.2° | 61.1° |
| C12 | C13 | C14 | C34 | 54.0° | 57.0° |
| C12 | C13 | C14 | H14 | 63.0° | 63.0° |
| C12 | C13 | O29 | H29 | 180.0° | 60.3° |
| C13 | C14 | N15 | C34 | 126.0° | 119.5° |
| C13 | C14 | N15 | H14 | 117.5° | 120.2° |
| C13 | C14 | N15 | N16 | 116.3° | 144.9° |
| C14 | C13 | O29 | H13 | 121.2° | 120.2° |
| C14 | C13 | C12 | O30 | 56.2° | 57.6° |
| C13 | C14 | C34 | C31 | 55.8° | 57.0° |
| C13 | C14 | C34 | O35 | 64.5° | 62.9° |
| C13 | C14 | C34 | H14 | 117.0° | 119.9° |
| C13 | C14 | N15 | C28 | 64.7° | 35.0° |
| C14 | C13 | C12 | H12 | 68.8° | 62.4° |
| C14 | C13 | O29 | H29 | 62.6° | 180.0° |
| C13 | C14 | C34 | H34 | 175.0° | 176.9° |
| C14 | N15 | N16 | C28 | 179.2° | 179.9° |
| C14 | N15 | N16 | N17 | 179.7° | 180.0° |
| C14 | N15 | C28 | C18 | 179.6° | 179.7° |
| N15 | C14 | C13 | O29 | 62.2° | 63.3° |
| N15 | C14 | C34 | C31 | 178.2° | 176.9° |
| N15 | C14 | C34 | O35 | 61.5° | 56.9° |
| N15 | C14 | C34 | H14 | 117.0° | 120.2° |
| N15 | C14 | C13 | H13 | 59.8° | 56.9° |
| C14 | N15 | C28 | H28 | 0.3° | 0.1° |
| N15 | C14 | C34 | H34 | 59.1° | 63.2° |
| N15 | N16 | N17 | C18 | 0.3° | 0.3° |
| N16 | N15 | C28 | C18 | 0.5° | 0.2° |
| N16 | N15 | C14 | C34 | 117.7° | 95.5° |
| N16 | N15 | C28 | H28 | 179.5° | 180.0° |
| N16 | N15 | C14 | H14 | 1.2° | 24.8° |
| N16 | N17 | C18 | C19 | 179.0° | 180.0° |
| N16 | N17 | C18 | C28 | 0.0° | 0.4° |
| N17 | N16 | N15 | C28 | 0.5° | 0.1° |
| N17 | C18 | C19 | C28 | 178.7° | 179.5° |
| N17 | C18 | C19 | C20 | 161.7° | 0.0° |
| N17 | C18 | C19 | C23 | 15.2° | 179.9° |
| N17 | C18 | C28 | N15 | 0.3° | 0.4° |
| N17 | C18 | C28 | H28 | 179.6° | 179.8° |
| C18 | C19 | C20 | C23 | 176.9° | 179.9° |
| C18 | C19 | C20 | C21 | 178.0° | 180.0° |
| C18 | C19 | C23 | C24 | 178.3° | 179.4° |
| C19 | C18 | C28 | N15 | 179.1° | 180.0° |
| C18 | C19 | C20 | H20 | 1.9° | 0.2° |
| C19 | C18 | C28 | H28 | 0.8° | 0.3° |
| C18 | C19 | C23 | H23 | 1.7° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.8° |
| C19 | C20 | C21 | F22 | 179.0° | 179.7° |
| C20 | C19 | C23 | C24 | 1.4° | 0.7° |
| C20 | C19 | C18 | C28 | 17.0° | 179.5° |
| C19 | C20 | C21 | C26 | 0.1° | 0.2° |
| C20 | C19 | C23 | H23 | 178.5° | 180.0° |
| C20 | C21 | F22 | C26 | 179.1° | 179.9° |
| C21 | C20 | C19 | C23 | 1.2° | 0.1° |
| C20 | C21 | C26 | C24 | 0.7° | 0.0° |
| C20 | C21 | C26 | F27 | 179.9° | 179.9° |
| F22 | C21 | C26 | C24 | 179.8° | 180.0° |
| F22 | C21 | C26 | F27 | 0.7° | 0.1° |
| F22 | C21 | C20 | H20 | 1.0° | 0.1° |
| C19 | C23 | C24 | H23 | 180.0° | 179.3° |
| C19 | C23 | C24 | F25 | 179.6° | 179.6° |
| C19 | C23 | C24 | C26 | 0.6° | 0.9° |
| C23 | C19 | C18 | C28 | 166.2° | 0.6° |
| C23 | C19 | C20 | H20 | 178.8° | 179.7° |
| C23 | C24 | F25 | C26 | 179.8° | 179.5° |
| C23 | C24 | C26 | F27 | 179.9° | 179.5° |
| C23 | C24 | C26 | C21 | 0.4° | 0.6° |
| F25 | C24 | C26 | F27 | 0.1° | 0.0° |
| F25 | C24 | C26 | C21 | 179.3° | 180.0° |
| F25 | C24 | C23 | H23 | 0.4° | 0.3° |
| C24 | C26 | F27 | C21 | 179.4° | 179.9° |
| C26 | C24 | C23 | H23 | 179.4° | 179.8° |
| C18 | C28 | N15 | H28 | 180.0° | 179.8° |
| O29 | C13 | C12 | O30 | 174.6° | 177.5° |
| O29 | C13 | C14 | C34 | 172.8° | 176.9° |
| O29 | C13 | C12 | H12 | 49.5° | 57.5° |
| O29 | C13 | C14 | H14 | 55.8° | 56.9° |
| C12 | O30 | C31 | C32 | 175.7° | 178.9° |
| C12 | O30 | C31 | C34 | 63.2° | 61.1° |
| O30 | C12 | C13 | H13 | 63.0° | 62.3° |
| C12 | O30 | C31 | H31 | 56.8° | 58.9° |
| O30 | C31 | C32 | C34 | 118.9° | 120.0° |
| O30 | C31 | C32 | H31 | 119.5° | 119.9° |
| O30 | C31 | C32 | O33 | 62.5° | 65.1° |
| O30 | C31 | C34 | H31 | 120.6° | 119.9° |
| O30 | C31 | C34 | O35 | 61.7° | 62.3° |
| O30 | C31 | C34 | C14 | 57.5° | 57.6° |
| C31 | O30 | C12 | H12 | 60.9° | 58.9° |
| O30 | C31 | C32 | H32A | 177.5° | 174.9° |
| O30 | C31 | C32 | H32B | 57.6° | 54.9° |
| O30 | C31 | C34 | H34 | 176.6° | 177.5° |
| C31 | C32 | O33 | H32A | 120.1° | 120.0° |
| C31 | C32 | O33 | H32B | 120.1° | 120.0° |
| C32 | C31 | C34 | H31 | 121.7° | 120.1° |
| C32 | C31 | C34 | O35 | 56.0° | 57.7° |
| C32 | C31 | C34 | C14 | 175.3° | 177.6° |
| C31 | C32 | H32A | H32B | 119.7° | 120.0° |
| C31 | C32 | O33 | H33 | 180.0° | 180.0° |
| C32 | C31 | C34 | H34 | 65.6° | 62.5° |
| O33 | C32 | C31 | C34 | 178.6° | 174.9° |
| O33 | C32 | C31 | H31 | 57.1° | 54.8° |
| O33 | C32 | H32A | H32B | 119.7° | 120.0° |
| C31 | C34 | O35 | C14 | 119.4° | 119.7° |
| C31 | C34 | O35 | H34 | 120.9° | 120.1° |
| C31 | C34 | C14 | H34 | 119.1° | 119.9° |
| C31 | C34 | C14 | H14 | 61.2° | 62.9° |
| C34 | C31 | C32 | H32A | 58.6° | 55.0° |
| C34 | C31 | C32 | H32B | 61.3° | 65.1° |
| C31 | C34 | O35 | H35 | 180.0° | 60.0° |
| O35 | C34 | C14 | H34 | 120.6° | 120.2° |
| O35 | C34 | C14 | H14 | 178.5° | 177.2° |
| O35 | C34 | C31 | H31 | 177.7° | 177.8° |
| O36 | C5 | C6 | H6 | 176.3° | 158.5° |
| C34 | C14 | N15 | C28 | 61.4° | 84.6° |
| C34 | C14 | C13 | H13 | 65.2° | 63.0° |
| C14 | C34 | C31 | H31 | 63.1° | 62.3° |
| C14 | C34 | O35 | H35 | 60.6° | 179.8° |
| C28 | N15 | C14 | H14 | 177.9° | 155.1° |
| C26 | C21 | C20 | H20 | 179.9° | 180.0° |
| H4A | C4 | H4B | H4C | 120.0° | 120.0° |
| H8A | C8 | H8B | H8C | 120.0° | 120.0° |
| H13 | C13 | C12 | H12 | 171.9° | 177.7° |
| H13 | C13 | C14 | H14 | 177.8° | 177.1° |
| H13 | C13 | O29 | H29 | 58.6° | 59.8° |
| H1A | C1 | H1B | H1C | 120.0° | 119.9° |
| H1A | C1 | C2 | H2A | 59.5° | 180.0° |
| H1A | C1 | C2 | H2B | 59.5° | 60.0° |
| H1B | C1 | C2 | H2A | 60.5° | 60.1° |
| H1B | C1 | C2 | H2B | 179.5° | 179.9° |
| H1C | C1 | C2 | H2A | 179.5° | 60.1° |
| H1C | C1 | C2 | H2B | 60.5° | 60.0° |
| H9A | C9 | H9B | H9C | 120.0° | 120.0° |
| H14 | C14 | C34 | H34 | 58.0° | 57.0° |
| H31 | C31 | C32 | H32A | 63.0° | 65.2° |
| H31 | C31 | C32 | H32B | 177.2° | 174.8° |
| H31 | C31 | C34 | H34 | 56.0° | 57.6° |
| H32A | C32 | O33 | H33 | 59.9° | 60.1° |
| H32B | C32 | O33 | H33 | 59.9° | 60.0° |
| H34 | C34 | O35 | H35 | 59.1° | 60.1° |
