IMA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | O1 | sing | 1.36Å | 1.38Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.41Å | 1.43Å | Aromatic |
| C14 | N18 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C17 | sing | 1.42Å | 1.41Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C19 | doub | 1.36Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| N18 | C19 | sing | 1.38Å | 1.36Å | Aromatic |
| N18 | C20 | sing | 1.47Å | 1.47Å | |
| C19 | C21 | sing | 1.47Å | 1.40Å | |
| C20 | C28 | sing | 1.51Å | 1.50Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | N22 | sing | 1.35Å | 1.32Å | |
| C21 | O27 | doub | 1.22Å | 1.23Å | |
| N22 | C23 | sing | 1.46Å | 1.45Å | |
| N22 | H22 | sing | 0.97Å | 1.02Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C24 | C42 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C33 | sing | 1.38Å | 1.42Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.42Å | Aromatic |
| C31 | C35 | doub | 1.39Å | 1.43Å | Aromatic |
| C31 | C36 | sing | 1.48Å | 1.48Å | |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | doub | 1.38Å | 1.41Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | N37 | sing | 1.38Å | 1.35Å | |
| C36 | N38 | doub | 1.30Å | 1.34Å | |
| N37 | H371 | sing | 0.97Å | 1.02Å | |
| N37 | H372 | sing | 0.97Å | 1.02Å | |
| N38 | H38 | sing | 0.97Å | 1.02Å | |
| C39 | C40 | sing | 1.38Å | 1.41Å | Aromatic |
| C39 | C43 | doub | 1.38Å | 1.41Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| C40 | C41 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | N44 | sing | 1.40Å | 1.45Å | |
| C41 | C42 | sing | 1.38Å | 1.41Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.10Å | |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| C43 | H43 | sing | 1.08Å | 1.10Å | |
| N44 | C45 | sing | 1.47Å | 1.46Å | |
| N44 | C49 | sing | 1.47Å | 1.47Å | |
| N44 | C53 | sing | 1.47Å | 1.47Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C45 | H452 | sing | 1.09Å | 1.11Å | |
| C45 | H453 | sing | 1.09Å | 1.12Å | |
| C49 | H491 | sing | 1.09Å | 1.11Å | |
| C49 | H492 | sing | 1.09Å | 1.11Å | |
| C49 | H493 | sing | 1.09Å | 1.12Å | |
| C53 | H531 | sing | 1.09Å | 1.11Å | |
| C53 | H532 | sing | 1.09Å | 1.11Å | |
| C53 | H533 | sing | 1.09Å | 1.12Å | |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | HC11 | sing | 1.09Å | 1.11Å | |
| C1 | HC12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C7 | HC7 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C16 | 121.8° | 120.3° |
| C12 | C11 | O1 | 116.7° | 119.8° |
| C11 | C12 | C13 | 119.3° | 120.6° |
| C11 | C12 | H12 | 121.1° | 119.7° |
| C16 | C11 | O1 | 121.4° | 119.8° |
| C11 | C16 | C15 | 119.6° | 119.7° |
| C11 | C16 | H16 | 120.8° | 120.1° |
| C11 | O1 | C1 | 119.5° | 106.8° |
| C13 | C12 | H12 | 119.7° | 119.7° |
| C12 | C13 | C14 | 119.0° | 120.1° |
| C12 | C13 | H13 | 119.7° | 120.0° |
| C14 | C13 | H13 | 121.3° | 120.0° |
| C13 | C14 | C15 | 121.9° | 119.6° |
| C13 | C14 | N18 | 131.6° | 133.1° |
| C15 | C14 | N18 | 106.5° | 107.3° |
| C14 | C15 | C16 | 118.3° | 119.7° |
| C14 | C15 | C17 | 109.1° | 107.0° |
| C14 | N18 | C19 | 108.8° | 108.8° |
| C14 | N18 | C20 | 124.7° | 125.6° |
| C16 | C15 | C17 | 132.5° | 133.3° |
| C15 | C16 | H16 | 119.6° | 120.2° |
| C15 | C17 | C19 | 104.9° | 107.8° |
| C15 | C17 | H17 | 127.4° | 126.1° |
| C19 | C17 | H17 | 127.8° | 126.1° |
| C17 | C19 | N18 | 110.7° | 109.1° |
| C17 | C19 | C21 | 123.4° | 125.5° |
| C19 | N18 | C20 | 126.0° | 125.6° |
| N18 | C19 | C21 | 125.9° | 125.4° |
| N18 | C20 | C28 | 114.5° | 109.5° |
| N18 | C20 | H201 | 110.4° | 109.5° |
| N18 | C20 | H202 | 110.4° | 109.5° |
| C19 | C21 | N22 | 117.6° | 120.0° |
| C19 | C21 | O27 | 121.0° | 120.0° |
| C28 | C20 | H201 | 110.4° | 109.5° |
| C28 | C20 | H202 | 110.3° | 109.4° |
| C20 | C28 | C32 | 114.5° | 120.0° |
| C20 | C28 | C33 | 124.3° | 119.9° |
| H201 | C20 | H202 | 99.9° | 109.4° |
| N22 | C21 | O27 | 121.5° | 120.0° |
| C21 | N22 | C23 | 113.2° | 120.0° |
| C21 | N22 | H22 | 119.6° | 119.9° |
| C23 | N22 | H22 | 127.3° | 120.1° |
| N22 | C23 | C24 | 116.4° | 109.4° |
| N22 | C23 | H231 | 109.7° | 109.5° |
| N22 | C23 | H232 | 109.7° | 109.5° |
| C24 | C23 | H231 | 109.7° | 109.5° |
| C24 | C23 | H232 | 109.7° | 109.5° |
| C23 | C24 | C42 | 117.8° | 120.0° |
| C23 | C24 | C43 | 121.5° | 120.0° |
| H231 | C23 | H232 | 100.5° | 109.5° |
| C42 | C24 | C43 | 120.6° | 120.0° |
| C24 | C42 | C41 | 119.6° | 120.0° |
| C24 | C42 | H42 | 120.0° | 120.1° |
| C24 | C43 | C39 | 119.4° | 120.0° |
| C24 | C43 | H43 | 119.9° | 120.0° |
| C32 | C28 | C33 | 121.1° | 120.2° |
| C28 | C32 | C31 | 119.2° | 119.8° |
| C28 | C32 | H32 | 119.7° | 120.1° |
| C28 | C33 | C34 | 120.2° | 120.3° |
| C28 | C33 | H33 | 120.1° | 119.9° |
| C32 | C31 | C35 | 119.7° | 119.7° |
| C32 | C31 | C36 | 116.3° | 120.1° |
| C31 | C32 | H32 | 121.1° | 120.0° |
| C35 | C31 | C36 | 124.0° | 120.2° |
| C31 | C35 | C34 | 120.9° | 119.9° |
| C31 | C35 | H35 | 120.2° | 120.1° |
| C31 | C36 | N37 | 115.3° | 120.0° |
| C31 | C36 | N38 | 121.1° | 120.0° |
| C34 | C33 | H33 | 119.7° | 119.9° |
| C33 | C34 | C35 | 118.9° | 120.1° |
| C33 | C34 | H34 | 120.7° | 119.9° |
| C35 | C34 | H34 | 120.4° | 120.0° |
| C34 | C35 | H35 | 118.9° | 120.0° |
| N37 | C36 | N38 | 123.6° | 120.0° |
| C36 | N37 | H371 | 110.1° | 120.0° |
| C36 | N37 | H372 | 115.3° | 120.0° |
| C36 | N38 | H38 | 112.2° | 120.0° |
| H371 | N37 | H372 | 110.1° | 120.0° |
| C40 | C39 | C43 | 121.2° | 120.0° |
| C40 | C39 | H39 | 119.6° | 120.0° |
| C39 | C40 | C41 | 118.5° | 119.9° |
| C39 | C40 | N44 | 123.2° | 120.0° |
| C43 | C39 | H39 | 119.3° | 120.0° |
| C39 | C43 | H43 | 120.7° | 120.0° |
| C41 | C40 | N44 | 118.4° | 120.0° |
| C40 | C41 | C42 | 120.8° | 120.0° |
| C40 | C41 | H41 | 119.6° | 119.9° |
| C40 | N44 | C45 | 107.3° | 109.5° |
| C40 | N44 | C49 | 111.5° | 109.5° |
| C40 | N44 | C53 | 120.5° | 109.5° |
| C42 | C41 | H41 | 119.6° | 120.0° |
| C41 | C42 | H42 | 120.4° | 120.0° |
| C45 | N44 | C49 | 109.4° | 109.4° |
| C45 | N44 | C53 | 105.2° | 109.5° |
| N44 | C45 | H451 | 113.0° | 109.5° |
| N44 | C45 | H452 | 107.3° | 109.5° |
| N44 | C45 | H453 | 113.0° | 109.5° |
| C49 | N44 | C53 | 102.6° | 109.4° |
| N44 | C49 | H491 | 111.5° | 109.5° |
| N44 | C49 | H492 | 111.5° | 109.4° |
| N44 | C49 | H493 | 111.5° | 109.5° |
| N44 | C53 | H531 | 108.2° | 109.4° |
| N44 | C53 | H532 | 120.4° | 109.5° |
| N44 | C53 | H533 | 108.3° | 109.5° |
| H451 | C45 | H452 | 113.0° | 109.4° |
| H451 | C45 | H453 | 97.5° | 109.4° |
| H452 | C45 | H453 | 113.0° | 109.5° |
| H491 | C49 | H492 | 111.5° | 109.5° |
| H491 | C49 | H493 | 98.9° | 109.5° |
| H492 | C49 | H493 | 111.5° | 109.5° |
| H531 | C53 | H532 | 108.3° | 109.5° |
| H531 | C53 | H533 | 101.7° | 109.5° |
| H532 | C53 | H533 | 108.3° | 109.5° |
| O1 | C1 | C2 | 103.0° | 109.4° |
| O1 | C1 | HC11 | 114.7° | 109.5° |
| O1 | C1 | HC12 | 114.6° | 109.5° |
| C2 | C1 | HC11 | 114.6° | 109.5° |
| C2 | C1 | HC12 | 114.7° | 109.4° |
| C1 | C2 | C3 | 118.2° | 120.0° |
| C1 | C2 | C7 | 120.6° | 120.0° |
| HC11 | C1 | HC12 | 95.8° | 109.5° |
| C3 | C2 | C7 | 121.2° | 120.0° |
| C2 | C3 | C4 | 119.1° | 120.0° |
| C2 | C3 | HC3 | 120.0° | 120.0° |
| C2 | C7 | C6 | 119.8° | 120.0° |
| C2 | C7 | HC7 | 120.7° | 120.0° |
| C4 | C3 | HC3 | 120.8° | 120.0° |
| C3 | C4 | C5 | 119.5° | 120.0° |
| C3 | C4 | HC4 | 120.2° | 120.0° |
| C5 | C4 | HC4 | 120.2° | 120.0° |
| C4 | C5 | C6 | 121.4° | 120.0° |
| C4 | C5 | HC5 | 119.5° | 120.0° |
| C6 | C5 | HC5 | 119.1° | 120.0° |
| C5 | C6 | C7 | 119.0° | 119.9° |
| C5 | C6 | HC6 | 120.7° | 120.0° |
| C7 | C6 | HC6 | 120.3° | 120.0° |
| C6 | C7 | HC7 | 119.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C16 | O1 | 179.2° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.1° | 0.1° |
| C11 | C12 | C13 | H13 | 179.0° | 180.0° |
| C12 | C11 | C16 | C15 | 0.3° | 0.0° |
| C12 | C11 | C16 | H16 | 179.7° | 180.0° |
| C12 | C11 | O1 | C1 | 177.0° | 0.0° |
| C16 | C11 | C12 | C13 | 1.6° | 0.0° |
| C16 | C11 | C12 | H12 | 178.3° | 180.0° |
| C11 | C16 | C15 | C14 | 1.6° | 0.0° |
| C11 | C16 | C15 | H16 | 180.0° | 180.0° |
| C11 | C16 | C15 | C17 | 178.5° | 180.0° |
| C16 | C11 | O1 | C1 | 3.8° | 180.0° |
| O1 | C11 | C12 | C13 | 177.6° | 180.0° |
| O1 | C11 | C12 | H12 | 2.5° | 0.0° |
| O1 | C11 | C16 | C15 | 178.9° | 180.0° |
| O1 | C11 | C16 | H16 | 1.1° | 0.0° |
| C11 | O1 | C1 | C2 | 172.8° | 180.0° |
| C11 | O1 | C1 | HC11 | 62.0° | 60.0° |
| C11 | O1 | C1 | HC12 | 47.5° | 60.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.8° | 0.1° |
| C12 | C13 | C14 | N18 | 179.6° | 179.7° |
| H12 | C12 | C13 | C14 | 178.9° | 180.0° |
| H12 | C12 | C13 | H13 | 1.1° | 0.1° |
| C13 | C14 | C15 | N18 | 179.0° | 179.7° |
| C13 | C14 | C15 | C16 | 2.2° | 0.1° |
| C13 | C14 | C15 | C17 | 177.9° | 180.0° |
| C13 | C14 | N18 | C19 | 177.9° | 180.0° |
| C13 | C14 | N18 | C20 | 9.3° | 0.0° |
| H13 | C13 | C14 | C15 | 179.2° | 180.0° |
| H13 | C13 | C14 | N18 | 0.4° | 0.4° |
| C14 | C15 | C16 | C17 | 179.9° | 180.0° |
| C14 | C15 | C16 | H16 | 178.4° | 180.0° |
| C14 | C15 | C17 | C19 | 0.8° | 0.0° |
| C14 | C15 | C17 | H17 | 179.2° | 180.0° |
| C15 | C14 | N18 | C19 | 1.0° | 0.4° |
| C15 | C14 | N18 | C20 | 171.8° | 179.6° |
| N18 | C14 | C15 | C16 | 178.8° | 179.7° |
| N18 | C14 | C15 | C17 | 1.1° | 0.3° |
| C14 | N18 | C19 | C17 | 0.6° | 0.4° |
| C14 | N18 | C19 | C20 | 172.7° | 180.0° |
| C14 | N18 | C19 | C21 | 179.3° | 179.9° |
| C14 | N18 | C20 | C28 | 84.4° | 85.2° |
| C14 | N18 | C20 | H201 | 150.3° | 154.7° |
| C14 | N18 | C20 | H202 | 40.8° | 34.8° |
| C16 | C15 | C17 | C19 | 179.1° | 180.0° |
| C16 | C15 | C17 | H17 | 0.9° | 0.1° |
| C17 | C15 | C16 | H16 | 1.5° | 0.0° |
| C15 | C17 | C19 | H17 | 180.0° | 179.9° |
| C15 | C17 | C19 | N18 | 0.1° | 0.2° |
| C15 | C17 | C19 | C21 | 179.9° | 180.0° |
| C17 | C19 | N18 | C21 | 179.9° | 179.7° |
| C17 | C19 | N18 | C20 | 172.1° | 179.6° |
| C17 | C19 | C21 | N22 | 28.5° | 0.8° |
| C17 | C19 | C21 | O27 | 150.3° | 179.1° |
| H17 | C17 | C19 | N18 | 179.8° | 179.7° |
| H17 | C17 | C19 | C21 | 0.1° | 0.0° |
| C19 | N18 | C20 | C28 | 104.0° | 94.8° |
| C19 | N18 | C20 | H201 | 21.3° | 25.3° |
| C19 | N18 | C20 | H202 | 130.8° | 145.2° |
| N18 | C19 | C21 | N22 | 151.6° | 178.9° |
| N18 | C19 | C21 | O27 | 29.6° | 1.2° |
| C20 | N18 | C19 | C21 | 8.0° | 0.1° |
| N18 | C20 | C28 | H201 | 125.3° | 120.1° |
| N18 | C20 | C28 | H202 | 125.3° | 120.0° |
| N18 | C20 | H201 | H202 | 116.2° | 120.0° |
| N18 | C20 | C28 | C32 | 145.2° | 92.0° |
| N18 | C20 | C28 | C33 | 37.4° | 88.2° |
| C19 | C21 | N22 | O27 | 178.8° | 180.0° |
| C19 | C21 | N22 | C23 | 173.9° | 174.5° |
| C19 | C21 | N22 | H22 | 6.0° | 5.4° |
| C28 | C20 | H201 | H202 | 116.2° | 119.9° |
| C20 | C28 | C32 | C33 | 177.5° | 179.8° |
| C20 | C28 | C32 | C31 | 174.8° | 179.7° |
| C20 | C28 | C32 | H32 | 5.2° | 0.2° |
| C20 | C28 | C33 | C34 | 175.7° | 180.0° |
| C20 | C28 | C33 | H33 | 4.3° | 0.0° |
| H201 | C20 | C28 | C32 | 89.5° | 147.9° |
| H201 | C20 | C28 | C33 | 87.9° | 31.9° |
| H202 | C20 | C28 | C32 | 19.9° | 28.0° |
| H202 | C20 | C28 | C33 | 162.6° | 151.8° |
| C21 | N22 | C23 | H22 | 180.0° | 179.9° |
| C21 | N22 | C23 | C24 | 89.8° | 180.0° |
| C21 | N22 | C23 | H231 | 35.5° | 60.0° |
| C21 | N22 | C23 | H232 | 144.9° | 60.0° |
| O27 | C21 | N22 | C23 | 4.8° | 5.4° |
| O27 | C21 | N22 | H22 | 175.2° | 174.6° |
| N22 | C23 | C24 | H231 | 125.3° | 119.9° |
| N22 | C23 | C24 | H232 | 125.3° | 120.0° |
| N22 | C23 | H231 | H232 | 115.5° | 120.0° |
| N22 | C23 | C24 | C42 | 100.4° | 90.0° |
| N22 | C23 | C24 | C43 | 82.8° | 90.0° |
| H22 | N22 | C23 | C24 | 90.2° | 0.1° |
| H22 | N22 | C23 | H231 | 144.5° | 120.0° |
| H22 | N22 | C23 | H232 | 35.0° | 120.0° |
| C24 | C23 | H231 | H232 | 115.5° | 120.0° |
| C23 | C24 | C42 | C43 | 176.8° | 180.0° |
| C23 | C24 | C43 | C39 | 173.5° | 179.9° |
| C23 | C24 | C42 | C41 | 173.2° | 179.9° |
| C23 | C24 | C42 | H42 | 6.9° | 0.0° |
| C23 | C24 | C43 | H43 | 6.6° | 0.0° |
| H231 | C23 | C24 | C42 | 134.3° | 30.0° |
| H231 | C23 | C24 | C43 | 42.4° | 150.0° |
| H232 | C23 | C24 | C42 | 24.8° | 150.0° |
| H232 | C23 | C24 | C43 | 151.9° | 30.0° |
| C42 | C24 | C43 | C39 | 3.2° | 0.0° |
| C24 | C42 | C41 | C40 | 1.2° | 0.4° |
| C24 | C42 | C41 | H42 | 180.0° | 179.8° |
| C24 | C42 | C41 | H41 | 178.8° | 180.0° |
| C42 | C24 | C43 | H43 | 176.8° | 180.0° |
| C24 | C43 | C39 | C40 | 0.4° | 0.0° |
| C24 | C43 | C39 | H43 | 180.0° | 179.9° |
| C24 | C43 | C39 | H39 | 179.6° | 180.0° |
| C43 | C24 | C42 | C41 | 3.6° | 0.2° |
| C43 | C24 | C42 | H42 | 176.4° | 180.0° |
| C28 | C32 | C31 | H32 | 180.0° | 179.5° |
| C28 | C32 | C31 | C35 | 1.9° | 0.5° |
| C28 | C32 | C31 | C36 | 178.3° | 179.7° |
| C32 | C28 | C33 | C34 | 1.6° | 0.3° |
| C32 | C28 | C33 | H33 | 178.4° | 179.7° |
| C33 | C28 | C32 | C31 | 2.7° | 0.5° |
| C33 | C28 | C32 | H32 | 177.2° | 180.0° |
| C28 | C33 | C34 | H33 | 180.0° | 180.0° |
| C28 | C33 | C34 | C35 | 0.5° | 0.0° |
| C28 | C33 | C34 | H34 | 179.5° | 180.0° |
| C32 | C31 | C35 | C36 | 179.8° | 179.8° |
| C32 | C31 | C35 | C34 | 0.1° | 0.2° |
| C32 | C31 | C35 | H35 | 179.9° | 179.7° |
| C32 | C31 | C36 | N37 | 24.9° | 179.8° |
| C32 | C31 | C36 | N38 | 154.9° | 0.2° |
| C35 | C31 | C32 | H32 | 178.1° | 180.0° |
| C31 | C35 | C34 | C33 | 1.3° | 0.0° |
| C31 | C35 | C34 | H35 | 180.0° | 180.0° |
| C31 | C35 | C34 | H34 | 178.7° | 180.0° |
| C35 | C31 | C36 | N37 | 155.0° | 0.0° |
| C35 | C31 | C36 | N38 | 25.2° | 180.0° |
| C36 | C31 | C32 | H32 | 1.7° | 0.2° |
| C36 | C31 | C35 | C34 | 179.7° | 180.0° |
| C36 | C31 | C35 | H35 | 0.3° | 0.0° |
| C31 | C36 | N37 | N38 | 179.8° | 180.0° |
| C31 | C36 | N37 | H371 | 54.7° | 0.0° |
| C31 | C36 | N37 | H372 | 180.0° | 180.0° |
| C31 | C36 | N38 | H38 | 98.5° | 180.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | H35 | 178.7° | 180.0° |
| H33 | C33 | C34 | C35 | 179.6° | 180.0° |
| H33 | C33 | C34 | H34 | 0.4° | 0.0° |
| H34 | C34 | C35 | H35 | 1.3° | 0.0° |
| C36 | N37 | H371 | H372 | 128.2° | 179.9° |
| N37 | C36 | N38 | H38 | 81.3° | 0.0° |
| N38 | C36 | N37 | H371 | 125.1° | 180.0° |
| N38 | C36 | N37 | H372 | 0.2° | 0.0° |
| C40 | C39 | C43 | H39 | 180.0° | 179.9° |
| C39 | C40 | C41 | N44 | 179.4° | 179.7° |
| C39 | C40 | C41 | C42 | 1.5° | 0.5° |
| C39 | C40 | C41 | H41 | 178.5° | 179.9° |
| C40 | C39 | C43 | H43 | 179.6° | 179.9° |
| C39 | C40 | N44 | C45 | 107.0° | 60.0° |
| C39 | C40 | N44 | C49 | 133.3° | 60.0° |
| C39 | C40 | N44 | C53 | 13.1° | 179.9° |
| C43 | C39 | C40 | C41 | 1.9° | 0.3° |
| C43 | C39 | C40 | N44 | 177.5° | 180.0° |
| H39 | C39 | C40 | C41 | 178.1° | 179.7° |
| H39 | C39 | C40 | N44 | 2.5° | 0.1° |
| H39 | C39 | C43 | H43 | 0.4° | 0.0° |
| C40 | C41 | C42 | H41 | 180.0° | 179.5° |
| C40 | C41 | C42 | H42 | 178.8° | 179.7° |
| C41 | C40 | N44 | C45 | 72.4° | 120.3° |
| C41 | C40 | N44 | C49 | 47.3° | 119.7° |
| C41 | C40 | N44 | C53 | 167.5° | 0.3° |
| N44 | C40 | C41 | C42 | 177.9° | 179.8° |
| N44 | C40 | C41 | H41 | 2.0° | 0.3° |
| C40 | N44 | C45 | C49 | 121.0° | 120.0° |
| C40 | N44 | C45 | C53 | 129.4° | 120.0° |
| C40 | N44 | C49 | C53 | 130.2° | 120.0° |
| C40 | N44 | C45 | H451 | 54.7° | 60.0° |
| C40 | N44 | C45 | H452 | 180.0° | 60.0° |
| C40 | N44 | C45 | H453 | 54.7° | 180.0° |
| C40 | N44 | C49 | H491 | 54.7° | 180.0° |
| C40 | N44 | C49 | H492 | 180.0° | 60.0° |
| C40 | N44 | C49 | H493 | 54.7° | 60.0° |
| C40 | N44 | C53 | H531 | 54.7° | 60.0° |
| C40 | N44 | C53 | H532 | 180.0° | 60.0° |
| C40 | N44 | C53 | H533 | 54.7° | 180.0° |
| H41 | C41 | C42 | H42 | 1.3° | 0.2° |
| C45 | N44 | C49 | C53 | 111.3° | 120.0° |
| N44 | C45 | H451 | H452 | 122.1° | 120.0° |
| N44 | C45 | H451 | H453 | 118.9° | 120.0° |
| N44 | C45 | H452 | H453 | 125.2° | 120.1° |
| C45 | N44 | C49 | H491 | 63.8° | 60.0° |
| C45 | N44 | C49 | H492 | 61.5° | 180.0° |
| C45 | N44 | C49 | H493 | 173.2° | 60.1° |
| C45 | N44 | C53 | H531 | 175.9° | 60.0° |
| C45 | N44 | C53 | H532 | 58.8° | 180.0° |
| C45 | N44 | C53 | H533 | 66.4° | 59.9° |
| C49 | N44 | C45 | H451 | 175.8° | 60.0° |
| C49 | N44 | C45 | H452 | 58.9° | 180.0° |
| C49 | N44 | C45 | H453 | 66.3° | 60.0° |
| N44 | C49 | H491 | H492 | 125.2° | 119.9° |
| N44 | C49 | H491 | H493 | 117.4° | 120.0° |
| N44 | C49 | H492 | H493 | 125.3° | 120.0° |
| C49 | N44 | C53 | H531 | 69.7° | 180.0° |
| C49 | N44 | C53 | H532 | 55.5° | 60.1° |
| C49 | N44 | C53 | H533 | 179.2° | 60.0° |
| C53 | N44 | C45 | H451 | 74.7° | 179.9° |
| C53 | N44 | C45 | H452 | 50.6° | 60.1° |
| C53 | N44 | C45 | H453 | 175.8° | 60.0° |
| C53 | N44 | C49 | H491 | 175.1° | 60.0° |
| C53 | N44 | C49 | H492 | 49.8° | 60.0° |
| C53 | N44 | C49 | H493 | 75.5° | 180.0° |
| N44 | C53 | H531 | H532 | 132.1° | 119.9° |
| N44 | C53 | H531 | H533 | 113.9° | 120.0° |
| N44 | C53 | H532 | H533 | 125.3° | 120.1° |
| H451 | C45 | H452 | H453 | 109.5° | 119.9° |
| H491 | C49 | H492 | H493 | 109.5° | 120.1° |
| H531 | C53 | H532 | H533 | 109.5° | 120.0° |
| O1 | C1 | C2 | HC11 | 125.3° | 120.0° |
| O1 | C1 | C2 | HC12 | 125.3° | 119.9° |
| O1 | C1 | HC11 | HC12 | 120.5° | 120.0° |
| O1 | C1 | C2 | C3 | 166.1° | 90.0° |
| O1 | C1 | C2 | C7 | 12.6° | 90.2° |
| C2 | C1 | HC11 | HC12 | 120.5° | 120.0° |
| C1 | C2 | C3 | C7 | 178.8° | 179.7° |
| C1 | C2 | C3 | C4 | 177.0° | 180.0° |
| C1 | C2 | C3 | HC3 | 3.1° | 0.0° |
| C1 | C2 | C7 | C6 | 176.8° | 179.8° |
| C1 | C2 | C7 | HC7 | 3.2° | 0.2° |
| HC11 | C1 | C2 | C3 | 40.9° | 30.0° |
| HC11 | C1 | C2 | C7 | 137.9° | 149.8° |
| HC12 | C1 | C2 | C3 | 68.6° | 150.0° |
| HC12 | C1 | C2 | C7 | 112.6° | 29.7° |
| C2 | C3 | C4 | HC3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | HC4 | 179.6° | 179.9° |
| C3 | C2 | C7 | C6 | 1.9° | 0.5° |
| C3 | C2 | C7 | HC7 | 178.1° | 179.9° |
| C7 | C2 | C3 | C4 | 1.8° | 0.3° |
| C7 | C2 | C3 | HC3 | 178.2° | 179.7° |
| C2 | C7 | C6 | C5 | 0.6° | 0.4° |
| C2 | C7 | C6 | HC7 | 180.0° | 179.6° |
| C2 | C7 | C6 | HC6 | 179.5° | 179.8° |
| C3 | C4 | C5 | HC4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.0° | 0.0° |
| C3 | C4 | C5 | HC5 | 179.0° | 179.9° |
| HC3 | C3 | C4 | C5 | 179.7° | 180.0° |
| HC3 | C3 | C4 | HC4 | 0.4° | 0.1° |
| C4 | C5 | C6 | HC5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.9° | 0.2° |
| C4 | C5 | C6 | HC6 | 179.1° | 180.0° |
| HC4 | C4 | C5 | C6 | 179.0° | 179.9° |
| HC4 | C4 | C5 | HC5 | 1.0° | 0.0° |
| C5 | C6 | C7 | HC6 | 180.0° | 179.8° |
| C5 | C6 | C7 | HC7 | 179.4° | 180.0° |
| HC5 | C5 | C6 | C7 | 179.1° | 179.9° |
| HC5 | C5 | C6 | HC6 | 0.9° | 0.1° |
| HC6 | C6 | C7 | HC7 | 0.5° | 0.2° |
