IOG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C8 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.08Å | |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C4 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | O5 | sing | 1.36Å | 1.35Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C8 | C9 | sing | 1.54Å | 1.55Å | |
| C8 | H81 | sing | 1.10Å | 1.10Å | |
| C8 | H82 | sing | 1.10Å | 1.10Å | |
| C9 | C10 | sing | 1.54Å | 1.55Å | |
| C9 | H91 | sing | 1.10Å | 1.10Å | |
| C9 | H92 | sing | 1.10Å | 1.10Å | |
| C10 | N12 | sing | 1.44Å | 1.49Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.10Å | 1.10Å | |
| N12 | C13 | sing | 1.39Å | 1.35Å | |
| N12 | HN12 | sing | 1.02Å | 1.00Å | |
| C13 | C15 | sing | 1.53Å | 1.48Å | |
| C13 | O14 | doub | 1.23Å | 1.26Å | |
| C15 | C16 | sing | 1.48Å | 1.47Å | |
| C15 | H151 | sing | 1.11Å | 1.10Å | |
| C15 | H152 | sing | 1.11Å | 1.10Å | |
| C16 | C24 | sing | 1.42Å | 1.49Å | |
| C16 | C17 | doub | 1.38Å | 1.49Å | |
| C17 | N18 | sing | 1.37Å | 1.47Å | |
| C17 | C25 | sing | 1.44Å | 1.50Å | |
| N18 | C19 | sing | 1.38Å | 1.35Å | |
| N18 | HN18 | sing | 1.01Å | 1.00Å | |
| C19 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C24 | sing | 1.40Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.42Å | Aromatic |
| C20 | H20 | sing | 1.09Å | 1.08Å | |
| C21 | O31 | sing | 1.37Å | 1.35Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.09Å | 1.08Å | |
| C23 | C24 | doub | 1.41Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.09Å | 1.08Å | |
| C25 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.42Å | Aromatic |
| C26 | H26 | sing | 1.09Å | 1.08Å | |
| C27 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.08Å | |
| C28 | C29 | doub | 1.40Å | 1.38Å | Aromatic |
| C28 | H28 | sing | 1.09Å | 1.08Å | |
| C29 | C30 | sing | 1.39Å | 1.43Å | Aromatic |
| C29 | H29 | sing | 1.09Å | 1.08Å | |
| C30 | H30 | sing | 1.09Å | 1.08Å | |
| O31 | C32 | sing | 1.42Å | 1.44Å | |
| C32 | C33 | sing | 1.52Å | 1.53Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | N34 | sing | 1.46Å | 1.49Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.10Å | 1.10Å | |
| N34 | C35 | sing | 1.47Å | 1.49Å | |
| N34 | C39 | sing | 1.47Å | 1.47Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C35 | H351 | sing | 1.10Å | 1.10Å | |
| C35 | H352 | sing | 1.10Å | 1.10Å | |
| C36 | C37 | sing | 1.52Å | 1.53Å | |
| C36 | H361 | sing | 1.10Å | 1.10Å | |
| C36 | H362 | sing | 1.10Å | 1.10Å | |
| C37 | C38 | sing | 1.52Å | 1.54Å | |
| C37 | H371 | sing | 1.10Å | 1.10Å | |
| C37 | H372 | sing | 1.10Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | H381 | sing | 1.10Å | 1.10Å | |
| C38 | H382 | sing | 1.10Å | 1.10Å | |
| C39 | H391 | sing | 1.10Å | 1.10Å | |
| C39 | H392 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C1 | C8 | 122.7° | 119.4° |
| C7 | C1 | C2 | 121.1° | 121.2° |
| C1 | C7 | C6 | 119.0° | 119.4° |
| C1 | C7 | H7 | 120.5° | 121.1° |
| C8 | C1 | C2 | 116.2° | 119.4° |
| C1 | C8 | C9 | 109.3° | 113.9° |
| C1 | C8 | H81 | 109.5° | 110.2° |
| C1 | C8 | H82 | 109.6° | 108.0° |
| C1 | C2 | C3 | 120.4° | 119.4° |
| C1 | C2 | H2 | 119.8° | 121.1° |
| C3 | C2 | H2 | 119.8° | 119.4° |
| C2 | C3 | C4 | 118.3° | 120.0° |
| C2 | C3 | H3 | 120.8° | 119.6° |
| C4 | C3 | H3 | 120.9° | 120.4° |
| C3 | C4 | C6 | 121.8° | 120.0° |
| C3 | C4 | O5 | 115.8° | 120.0° |
| C6 | C4 | O5 | 122.0° | 120.0° |
| C4 | C6 | C7 | 119.4° | 120.0° |
| C4 | C6 | H6 | 120.3° | 120.4° |
| C4 | O5 | HO5 | 109.5° | 110.3° |
| C7 | C6 | H6 | 120.3° | 119.6° |
| C6 | C7 | H7 | 120.5° | 119.5° |
| C9 | C8 | H81 | 109.6° | 110.2° |
| C9 | C8 | H82 | 109.6° | 108.8° |
| C8 | C9 | C10 | 109.2° | 114.4° |
| C8 | C9 | H91 | 109.6° | 109.5° |
| C8 | C9 | H92 | 109.6° | 107.8° |
| H81 | C8 | H82 | 109.3° | 105.4° |
| C10 | C9 | H91 | 109.6° | 109.2° |
| C10 | C9 | H92 | 109.7° | 109.1° |
| C9 | C10 | N12 | 108.4° | 111.3° |
| C9 | C10 | C11 | 108.4° | 110.6° |
| C9 | C10 | H10 | 112.7° | 110.1° |
| H91 | C9 | H92 | 109.3° | 106.5° |
| N12 | C10 | C11 | 114.4° | 109.7° |
| N12 | C10 | H10 | 106.5° | 106.7° |
| C10 | N12 | C13 | 116.9° | 122.6° |
| C10 | N12 | HN12 | 121.5° | 118.8° |
| C11 | C10 | H10 | 106.5° | 108.3° |
| C10 | C11 | H111 | 109.5° | 111.3° |
| C10 | C11 | H112 | 109.5° | 111.0° |
| C10 | C11 | H113 | 109.5° | 110.7° |
| H111 | C11 | H112 | 109.5° | 108.3° |
| H111 | C11 | H113 | 109.5° | 107.5° |
| H112 | C11 | H113 | 109.5° | 107.9° |
| C13 | N12 | HN12 | 121.5° | 118.7° |
| N12 | C13 | C15 | 120.1° | 112.5° |
| N12 | C13 | O14 | 120.8° | 125.0° |
| C15 | C13 | O14 | 119.1° | 122.6° |
| C13 | C15 | C16 | 113.1° | 114.2° |
| C13 | C15 | H151 | 108.3° | 107.5° |
| C13 | C15 | H152 | 107.4° | 107.3° |
| C16 | C15 | H151 | 108.3° | 110.9° |
| C16 | C15 | H152 | 107.4° | 111.1° |
| C15 | C16 | C24 | 119.9° | 126.0° |
| C15 | C16 | C17 | 137.3° | 126.3° |
| H151 | C15 | H152 | 112.4° | 105.3° |
| C24 | C16 | C17 | 102.7° | 107.7° |
| C16 | C24 | C19 | 110.2° | 107.1° |
| C16 | C24 | C23 | 129.9° | 134.2° |
| C16 | C17 | N18 | 106.9° | 107.9° |
| C16 | C17 | C25 | 127.8° | 130.5° |
| N18 | C17 | C25 | 125.1° | 121.6° |
| C17 | N18 | C19 | 109.0° | 110.2° |
| C17 | N18 | HN18 | 125.5° | 125.2° |
| C17 | C25 | C30 | 118.9° | 120.0° |
| C17 | C25 | C26 | 122.7° | 119.9° |
| C19 | N18 | HN18 | 125.5° | 124.6° |
| N18 | C19 | C20 | 127.8° | 130.2° |
| N18 | C19 | C24 | 110.9° | 107.1° |
| C20 | C19 | C24 | 121.3° | 122.7° |
| C19 | C20 | C21 | 118.5° | 117.3° |
| C19 | C20 | H20 | 120.8° | 121.2° |
| C19 | C24 | C23 | 119.7° | 118.7° |
| C21 | C20 | H20 | 120.8° | 121.5° |
| C20 | C21 | O31 | 120.4° | 119.2° |
| C20 | C21 | C22 | 119.5° | 121.5° |
| O31 | C21 | C22 | 118.1° | 119.3° |
| C21 | O31 | C32 | 123.7° | 116.8° |
| C21 | C22 | C23 | 120.1° | 120.5° |
| C21 | C22 | H22 | 119.9° | 120.3° |
| C23 | C22 | H22 | 119.9° | 119.1° |
| C22 | C23 | C24 | 119.4° | 119.2° |
| C22 | C23 | H23 | 120.3° | 119.9° |
| C24 | C23 | H23 | 120.3° | 120.9° |
| C30 | C25 | C26 | 118.4° | 120.1° |
| C25 | C30 | C29 | 120.9° | 119.9° |
| C25 | C30 | H30 | 119.6° | 121.0° |
| C25 | C26 | C27 | 120.2° | 119.9° |
| C25 | C26 | H26 | 119.9° | 120.9° |
| C27 | C26 | H26 | 119.9° | 119.1° |
| C26 | C27 | C28 | 120.8° | 120.0° |
| C26 | C27 | H27 | 119.6° | 120.0° |
| C28 | C27 | H27 | 119.6° | 120.0° |
| C27 | C28 | C29 | 119.1° | 120.0° |
| C27 | C28 | H28 | 120.4° | 120.0° |
| C29 | C28 | H28 | 120.4° | 120.0° |
| C28 | C29 | C30 | 120.5° | 120.0° |
| C28 | C29 | H29 | 119.8° | 120.0° |
| C30 | C29 | H29 | 119.8° | 120.0° |
| C29 | C30 | H30 | 119.5° | 119.1° |
| O31 | C32 | C33 | 116.3° | 109.4° |
| O31 | C32 | H321 | 107.2° | 108.0° |
| O31 | C32 | H322 | 105.7° | 108.8° |
| C33 | C32 | H321 | 107.2° | 110.0° |
| C33 | C32 | H322 | 105.7° | 111.5° |
| C32 | C33 | N34 | 111.6° | 109.6° |
| C32 | C33 | H331 | 108.8° | 111.2° |
| C32 | C33 | H332 | 108.3° | 110.4° |
| H321 | C32 | H322 | 115.0° | 109.0° |
| N34 | C33 | H331 | 108.8° | 108.3° |
| N34 | C33 | H332 | 108.3° | 108.2° |
| C33 | N34 | C35 | 102.7° | 110.5° |
| C33 | N34 | C39 | 108.0° | 110.5° |
| H331 | C33 | H332 | 111.1° | 109.1° |
| C35 | N34 | C39 | 110.5° | 111.2° |
| N34 | C35 | C36 | 110.3° | 111.1° |
| N34 | C35 | H351 | 109.2° | 110.7° |
| N34 | C35 | H352 | 109.0° | 109.6° |
| N34 | C39 | C38 | 113.7° | 111.2° |
| N34 | C39 | H391 | 108.1° | 109.6° |
| N34 | C39 | H392 | 107.1° | 110.7° |
| C36 | C35 | H351 | 109.2° | 109.7° |
| C36 | C35 | H352 | 109.1° | 108.3° |
| C35 | C36 | C37 | 110.8° | 111.3° |
| C35 | C36 | H361 | 109.0° | 109.8° |
| C35 | C36 | H362 | 108.7° | 109.5° |
| H351 | C35 | H352 | 110.1° | 107.3° |
| C37 | C36 | H361 | 109.0° | 109.8° |
| C37 | C36 | H362 | 108.7° | 109.5° |
| C36 | C37 | C38 | 106.6° | 110.4° |
| C36 | C37 | H371 | 110.4° | 110.1° |
| C36 | C37 | H372 | 111.0° | 109.5° |
| H361 | C36 | H362 | 110.5° | 106.9° |
| C38 | C37 | H371 | 110.4° | 110.1° |
| C38 | C37 | H372 | 111.0° | 109.5° |
| C37 | C38 | C39 | 107.9° | 111.3° |
| C37 | C38 | H381 | 110.0° | 109.4° |
| C37 | C38 | H382 | 110.3° | 109.7° |
| H371 | C37 | H372 | 107.3° | 107.1° |
| C39 | C38 | H381 | 110.0° | 109.6° |
| C39 | C38 | H382 | 110.3° | 109.8° |
| C38 | C39 | H391 | 108.1° | 108.4° |
| C38 | C39 | H392 | 107.1° | 109.6° |
| H381 | C38 | H382 | 108.3° | 106.9° |
| H391 | C39 | H392 | 112.9° | 107.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C1 | C8 | C2 | 179.7° | 180.0° |
| C7 | C1 | C2 | C3 | 0.4° | 0.0° |
| C7 | C1 | C2 | H2 | 179.6° | 180.0° |
| C1 | C7 | C6 | C4 | 3.2° | 0.0° |
| C1 | C7 | C6 | H7 | 180.0° | 180.0° |
| C1 | C7 | C6 | H6 | 176.8° | 179.9° |
| C7 | C1 | C8 | C9 | 101.8° | 90.0° |
| C7 | C1 | C8 | H81 | 18.2° | 145.6° |
| C7 | C1 | C8 | H82 | 138.1° | 31.0° |
| C8 | C1 | C2 | C3 | 179.9° | 180.0° |
| C8 | C1 | C2 | H2 | 0.1° | 0.0° |
| C8 | C1 | C7 | C6 | 179.2° | 180.0° |
| C8 | C1 | C7 | H7 | 0.8° | 0.0° |
| C1 | C8 | C9 | H81 | 120.0° | 124.5° |
| C1 | C8 | C9 | H82 | 120.1° | 120.5° |
| C1 | C8 | H81 | H82 | 120.1° | 116.3° |
| C1 | C8 | C9 | C10 | 171.8° | 177.0° |
| C1 | C8 | C9 | H91 | 51.8° | 60.1° |
| C1 | C8 | C9 | H92 | 68.1° | 55.4° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.7° | 0.0° |
| C1 | C2 | C3 | H3 | 178.3° | 180.0° |
| C2 | C1 | C7 | C6 | 1.1° | 0.0° |
| C2 | C1 | C7 | H7 | 178.9° | 180.0° |
| C2 | C1 | C8 | C9 | 77.9° | 90.0° |
| C2 | C1 | C8 | H81 | 162.1° | 34.4° |
| C2 | C1 | C8 | H82 | 42.2° | 149.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C6 | 4.0° | 0.0° |
| C2 | C3 | C4 | O5 | 176.8° | 179.9° |
| H2 | C2 | C3 | C4 | 178.3° | 180.0° |
| H2 | C2 | C3 | H3 | 1.7° | 0.0° |
| C3 | C4 | C6 | O5 | 172.4° | 179.9° |
| C3 | C4 | O5 | HO5 | 71.2° | 46.5° |
| C3 | C4 | C6 | C7 | 4.7° | 0.0° |
| C3 | C4 | C6 | H6 | 175.3° | 179.9° |
| H3 | C3 | C4 | C6 | 176.0° | 180.0° |
| H3 | C3 | C4 | O5 | 3.2° | 0.1° |
| C6 | C4 | O5 | HO5 | 116.0° | 133.4° |
| C4 | C6 | C7 | H6 | 180.0° | 179.9° |
| C4 | C6 | C7 | H7 | 176.8° | 180.0° |
| O5 | C4 | C6 | C7 | 177.2° | 179.9° |
| O5 | C4 | C6 | H6 | 2.9° | 0.0° |
| H6 | C6 | C7 | H7 | 3.1° | 0.1° |
| C9 | C8 | H81 | H82 | 120.1° | 117.2° |
| C8 | C9 | C10 | H91 | 120.0° | 123.1° |
| C8 | C9 | C10 | H92 | 120.1° | 120.8° |
| C8 | C9 | H91 | H92 | 120.1° | 116.3° |
| C8 | C9 | C10 | N12 | 49.7° | 60.8° |
| C8 | C9 | C10 | C11 | 174.4° | 176.9° |
| C8 | C9 | C10 | H10 | 68.0° | 57.3° |
| H81 | C8 | C9 | C10 | 68.2° | 58.6° |
| H81 | C8 | C9 | H91 | 171.8° | 64.4° |
| H81 | C8 | C9 | H92 | 51.9° | 179.8° |
| H82 | C8 | C9 | C10 | 51.7° | 56.5° |
| H82 | C8 | C9 | H91 | 68.3° | 179.4° |
| H82 | C8 | C9 | H92 | 171.9° | 65.1° |
| C10 | C9 | H91 | H92 | 120.2° | 117.7° |
| C9 | C10 | N12 | C11 | 121.1° | 122.8° |
| C9 | C10 | N12 | H10 | 121.6° | 120.1° |
| C9 | C10 | C11 | H10 | 121.6° | 120.8° |
| C9 | C10 | C11 | H111 | 143.6° | 57.1° |
| C9 | C10 | C11 | H112 | 96.4° | 177.8° |
| C9 | C10 | C11 | H113 | 23.6° | 62.4° |
| C9 | C10 | N12 | C13 | 123.1° | 150.1° |
| C9 | C10 | N12 | HN12 | 56.9° | 29.8° |
| H91 | C9 | C10 | N12 | 169.7° | 62.3° |
| H91 | C9 | C10 | C11 | 65.6° | 60.0° |
| H91 | C9 | C10 | H10 | 52.0° | 179.6° |
| H92 | C9 | C10 | N12 | 70.4° | 178.3° |
| H92 | C9 | C10 | C11 | 54.4° | 56.1° |
| H92 | C9 | C10 | H10 | 172.0° | 63.6° |
| N12 | C10 | C11 | H10 | 117.4° | 116.1° |
| N12 | C10 | C11 | H111 | 22.5° | 66.0° |
| N12 | C10 | C11 | H112 | 142.5° | 54.6° |
| N12 | C10 | C11 | H113 | 97.5° | 174.4° |
| C10 | N12 | C13 | HN12 | 180.0° | 179.9° |
| C10 | N12 | C13 | C15 | 178.1° | 179.8° |
| C10 | N12 | C13 | O14 | 1.7° | 0.1° |
| C10 | C11 | H111 | H112 | 120.0° | 122.2° |
| C10 | C11 | H111 | H113 | 120.0° | 121.4° |
| C10 | C11 | H112 | H113 | 120.0° | 121.5° |
| C11 | C10 | N12 | C13 | 115.8° | 87.2° |
| C11 | C10 | N12 | HN12 | 64.2° | 92.9° |
| H10 | C10 | C11 | H111 | 94.8° | 177.9° |
| H10 | C10 | C11 | H112 | 25.2° | 61.5° |
| H10 | C10 | C11 | H113 | 145.2° | 58.4° |
| H10 | C10 | N12 | C13 | 1.5° | 30.0° |
| H10 | C10 | N12 | HN12 | 178.5° | 150.0° |
| H111 | C11 | H112 | H113 | 120.0° | 116.1° |
| N12 | C13 | C15 | O14 | 179.7° | 179.8° |
| N12 | C13 | C15 | C16 | 0.1° | 153.6° |
| N12 | C13 | C15 | H151 | 119.9° | 30.0° |
| N12 | C13 | C15 | H152 | 118.5° | 82.8° |
| HN12 | N12 | C13 | C15 | 2.0° | 0.2° |
| HN12 | N12 | C13 | O14 | 178.3° | 180.0° |
| C13 | C15 | C16 | H151 | 120.0° | 121.7° |
| C13 | C15 | C16 | H152 | 118.4° | 121.5° |
| C13 | C15 | H151 | H152 | 118.5° | 114.2° |
| C13 | C15 | C16 | C24 | 88.1° | 90.0° |
| C13 | C15 | C16 | C17 | 87.0° | 90.1° |
| O14 | C13 | C15 | C16 | 179.8° | 26.6° |
| O14 | C13 | C15 | H151 | 59.8° | 150.2° |
| O14 | C13 | C15 | H152 | 61.8° | 97.0° |
| C16 | C15 | H151 | H152 | 118.5° | 120.2° |
| C15 | C16 | C24 | C17 | 176.6° | 179.9° |
| C15 | C16 | C17 | N18 | 178.5° | 179.9° |
| C15 | C16 | C17 | C25 | 3.8° | 0.0° |
| C15 | C16 | C24 | C19 | 177.2° | 179.9° |
| C15 | C16 | C24 | C23 | 2.4° | 0.2° |
| H151 | C15 | C16 | C24 | 31.9° | 148.3° |
| H151 | C15 | C16 | C17 | 153.0° | 31.6° |
| H152 | C15 | C16 | C24 | 153.5° | 31.5° |
| H152 | C15 | C16 | C17 | 31.4° | 148.3° |
| C24 | C16 | C17 | N18 | 5.8° | 0.0° |
| C24 | C16 | C17 | C25 | 179.5° | 179.9° |
| C16 | C24 | C19 | N18 | 4.2° | 0.1° |
| C16 | C24 | C19 | C20 | 175.4° | 180.0° |
| C16 | C24 | C19 | C23 | 175.4° | 179.9° |
| C16 | C24 | C23 | C22 | 168.0° | 180.0° |
| C16 | C24 | C23 | H23 | 11.9° | 0.2° |
| C16 | C17 | N18 | C25 | 174.9° | 179.9° |
| C16 | C17 | N18 | C19 | 3.7° | 0.1° |
| C16 | C17 | N18 | HN18 | 176.2° | 180.0° |
| C17 | C16 | C24 | C19 | 6.2° | 0.0° |
| C17 | C16 | C24 | C23 | 179.0° | 180.0° |
| C16 | C17 | C25 | C30 | 148.3° | 90.0° |
| C16 | C17 | C25 | C26 | 31.8° | 90.0° |
| C17 | N18 | C19 | HN18 | 180.0° | 179.9° |
| C17 | N18 | C19 | C20 | 179.4° | 180.0° |
| C17 | N18 | C19 | C24 | 0.2° | 0.1° |
| N18 | C17 | C25 | C30 | 25.6° | 89.9° |
| N18 | C17 | C25 | C26 | 154.3° | 90.1° |
| C25 | C17 | N18 | C19 | 178.7° | 180.0° |
| C25 | C17 | N18 | HN18 | 1.3° | 0.1° |
| C17 | C25 | C30 | C26 | 179.9° | 180.0° |
| C17 | C25 | C26 | C27 | 179.0° | 180.0° |
| C17 | C25 | C26 | H26 | 1.0° | 0.1° |
| C17 | C25 | C30 | C29 | 178.8° | 180.0° |
| C17 | C25 | C30 | H30 | 1.3° | 0.0° |
| N18 | C19 | C20 | C24 | 179.6° | 179.9° |
| N18 | C19 | C20 | C21 | 169.3° | 180.0° |
| N18 | C19 | C20 | H20 | 10.7° | 0.1° |
| N18 | C19 | C24 | C23 | 179.6° | 180.0° |
| HN18 | N18 | C19 | C20 | 0.6° | 0.1° |
| HN18 | N18 | C19 | C24 | 179.8° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | O31 | 177.7° | 179.9° |
| C19 | C20 | C21 | C22 | 14.2° | 0.0° |
| C20 | C19 | C24 | C23 | 0.0° | 0.1° |
| C24 | C19 | C20 | C21 | 10.3° | 0.0° |
| C24 | C19 | C20 | H20 | 169.7° | 180.0° |
| C19 | C24 | C23 | C22 | 6.4° | 0.1° |
| C19 | C24 | C23 | H23 | 173.6° | 179.9° |
| C20 | C21 | O31 | C22 | 163.7° | 179.9° |
| C20 | C21 | C22 | C23 | 8.1° | 0.0° |
| C20 | C21 | C22 | H22 | 172.0° | 180.0° |
| C20 | C21 | O31 | C32 | 67.7° | 29.9° |
| H20 | C20 | C21 | O31 | 2.3° | 0.0° |
| H20 | C20 | C21 | C22 | 165.8° | 179.9° |
| O31 | C21 | C22 | C23 | 171.9° | 179.9° |
| O31 | C21 | C22 | H22 | 8.1° | 0.1° |
| C21 | O31 | C32 | C33 | 68.4° | 150.3° |
| C21 | O31 | C32 | H321 | 51.6° | 89.9° |
| C21 | O31 | C32 | H322 | 174.7° | 28.3° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 2.3° | 0.0° |
| C21 | C22 | C23 | H23 | 177.7° | 179.9° |
| C22 | C21 | O31 | C32 | 128.6° | 150.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| H22 | C22 | C23 | C24 | 177.7° | 180.0° |
| H22 | C22 | C23 | H23 | 2.3° | 0.1° |
| C30 | C25 | C26 | C27 | 0.9° | 0.1° |
| C30 | C25 | C26 | H26 | 179.1° | 179.9° |
| C25 | C30 | C29 | C28 | 1.5° | 0.1° |
| C25 | C30 | C29 | H30 | 180.0° | 180.0° |
| C25 | C30 | C29 | H29 | 178.5° | 179.9° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 3.1° | 0.1° |
| C25 | C26 | C27 | H27 | 177.0° | 179.9° |
| C26 | C25 | C30 | C29 | 1.3° | 0.1° |
| C26 | C25 | C30 | H30 | 178.6° | 180.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 2.9° | 0.1° |
| C26 | C27 | C28 | H28 | 177.1° | 180.0° |
| H26 | C26 | C27 | C28 | 176.9° | 180.0° |
| H26 | C26 | C27 | H27 | 3.1° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.7° | 0.1° |
| C27 | C28 | C29 | H29 | 179.3° | 180.0° |
| H27 | C27 | C28 | C29 | 177.1° | 179.9° |
| H27 | C27 | C28 | H28 | 2.9° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.8° |
| C28 | C29 | C30 | H30 | 178.5° | 180.0° |
| H28 | C28 | C29 | C30 | 179.3° | 180.0° |
| H28 | C28 | C29 | H29 | 0.6° | 0.2° |
| H29 | C29 | C30 | H30 | 1.5° | 0.1° |
| O31 | C32 | C33 | H321 | 120.0° | 118.5° |
| O31 | C32 | C33 | H322 | 116.8° | 120.4° |
| O31 | C32 | H321 | H322 | 117.2° | 118.1° |
| O31 | C32 | C33 | N34 | 93.3° | 178.5° |
| O31 | C32 | C33 | H331 | 26.7° | 61.8° |
| O31 | C32 | C33 | H332 | 147.6° | 59.4° |
| C33 | C32 | H321 | H322 | 117.2° | 122.6° |
| C32 | C33 | N34 | H331 | 120.0° | 121.5° |
| C32 | C33 | N34 | H332 | 119.1° | 120.4° |
| C32 | C33 | H331 | H332 | 119.1° | 122.0° |
| C32 | C33 | N34 | C35 | 175.3° | 61.5° |
| C32 | C33 | N34 | C39 | 58.5° | 175.0° |
| H321 | C32 | C33 | N34 | 146.8° | 60.0° |
| H321 | C32 | C33 | H331 | 93.2° | 179.7° |
| H321 | C32 | C33 | H332 | 27.7° | 59.1° |
| H322 | C32 | C33 | N34 | 23.6° | 61.1° |
| H322 | C32 | C33 | H331 | 143.6° | 58.6° |
| H322 | C32 | C33 | H332 | 95.5° | 179.8° |
| N34 | C33 | H331 | H332 | 119.1° | 117.5° |
| C33 | N34 | C35 | C39 | 115.0° | 123.1° |
| C33 | N34 | C35 | C36 | 169.7° | 178.0° |
| C33 | N34 | C35 | H351 | 49.7° | 59.8° |
| C33 | N34 | C35 | H352 | 70.6° | 58.3° |
| C33 | N34 | C39 | C38 | 168.4° | 178.0° |
| C33 | N34 | C39 | H391 | 71.6° | 58.3° |
| C33 | N34 | C39 | H392 | 50.2° | 59.9° |
| H331 | C33 | N34 | C35 | 55.2° | 60.0° |
| H331 | C33 | N34 | C39 | 61.5° | 63.5° |
| H332 | C33 | N34 | C35 | 65.7° | 178.1° |
| H332 | C33 | N34 | C39 | 177.6° | 54.6° |
| N34 | C35 | C36 | H351 | 120.0° | 122.8° |
| N34 | C35 | C36 | H352 | 119.7° | 120.4° |
| N34 | C35 | H351 | H352 | 119.6° | 119.5° |
| N34 | C35 | C36 | C37 | 59.4° | 55.8° |
| N34 | C35 | C36 | H361 | 179.4° | 177.5° |
| N34 | C35 | C36 | H362 | 60.0° | 65.4° |
| C35 | N34 | C39 | C38 | 56.8° | 58.9° |
| C35 | N34 | C39 | H391 | 176.8° | 178.7° |
| C35 | N34 | C39 | H392 | 61.4° | 63.2° |
| C39 | N34 | C35 | C36 | 54.7° | 58.9° |
| C39 | N34 | C35 | H351 | 65.3° | 63.3° |
| C39 | N34 | C35 | H352 | 174.4° | 178.6° |
| N34 | C39 | C38 | C37 | 59.8° | 55.8° |
| N34 | C39 | C38 | H391 | 120.0° | 120.5° |
| N34 | C39 | C38 | H392 | 118.1° | 122.8° |
| N34 | C39 | C38 | H381 | 179.7° | 65.4° |
| N34 | C39 | C38 | H382 | 60.8° | 177.4° |
| N34 | C39 | H391 | H392 | 118.2° | 120.3° |
| C36 | C35 | H351 | H352 | 119.7° | 117.5° |
| C35 | C36 | C37 | H361 | 120.0° | 121.7° |
| C35 | C36 | C37 | H362 | 119.4° | 121.2° |
| C35 | C36 | H361 | H362 | 119.5° | 118.7° |
| C35 | C36 | C37 | C38 | 61.7° | 52.3° |
| C35 | C36 | C37 | H371 | 58.4° | 174.1° |
| C35 | C36 | C37 | H372 | 177.3° | 68.3° |
| H351 | C35 | C36 | C37 | 60.6° | 67.0° |
| H351 | C35 | C36 | H361 | 59.4° | 54.8° |
| H351 | C35 | C36 | H362 | 180.0° | 171.8° |
| H352 | C35 | C36 | C37 | 179.0° | 176.2° |
| H352 | C35 | C36 | H361 | 61.0° | 62.0° |
| H352 | C35 | C36 | H362 | 59.6° | 55.0° |
| C37 | C36 | H361 | H362 | 119.5° | 118.6° |
| C36 | C37 | C38 | H371 | 120.0° | 121.8° |
| C36 | C37 | C38 | H372 | 121.1° | 120.7° |
| C36 | C37 | H371 | H372 | 121.1° | 119.0° |
| C36 | C37 | C38 | C39 | 59.8° | 52.3° |
| C36 | C37 | C38 | H381 | 179.8° | 69.0° |
| C36 | C37 | C38 | H382 | 60.8° | 174.0° |
| H361 | C36 | C37 | C38 | 178.3° | 174.0° |
| H361 | C36 | C37 | H371 | 61.6° | 64.2° |
| H361 | C36 | C37 | H372 | 57.3° | 53.4° |
| H362 | C36 | C37 | C38 | 57.8° | 68.9° |
| H362 | C36 | C37 | H371 | 177.8° | 52.9° |
| H362 | C36 | C37 | H372 | 63.3° | 170.4° |
| C38 | C37 | H371 | H372 | 121.2° | 119.0° |
| C37 | C38 | C39 | H381 | 120.0° | 121.2° |
| C37 | C38 | C39 | H382 | 120.6° | 121.7° |
| C37 | C38 | H381 | H382 | 120.6° | 118.7° |
| C37 | C38 | C39 | H391 | 179.7° | 176.2° |
| C37 | C38 | C39 | H392 | 58.4° | 67.0° |
| H371 | C37 | C38 | C39 | 60.2° | 174.1° |
| H371 | C37 | C38 | H381 | 59.8° | 52.8° |
| H371 | C37 | C38 | H382 | 179.2° | 64.2° |
| H372 | C37 | C38 | C39 | 179.1° | 68.4° |
| H372 | C37 | C38 | H381 | 59.1° | 170.3° |
| H372 | C37 | C38 | H382 | 60.3° | 53.3° |
| C39 | C38 | H381 | H382 | 120.6° | 118.9° |
| C38 | C39 | H391 | H392 | 118.3° | 118.3° |
| H381 | C38 | C39 | H391 | 60.3° | 55.1° |
| H381 | C38 | C39 | H392 | 61.6° | 171.8° |
| H382 | C38 | C39 | H391 | 59.1° | 62.1° |
| H382 | C38 | C39 | H392 | 179.0° | 54.7° |
