IY7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.47Å | 1.52Å | |
| C6 | C5 | doub | 1.38Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.48Å | |
| C5 | C9 | sing | 1.51Å | 1.50Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O23 | sing | 1.36Å | 1.36Å | |
| C15 | O20 | sing | 1.36Å | 1.42Å | |
| C17 | O19 | sing | 1.35Å | 1.27Å | |
| C17 | O18 | doub | 1.22Å | 1.25Å | |
| C30 | C32 | sing | 1.51Å | 1.51Å | |
| C30 | N29 | sing | 1.35Å | 1.37Å | |
| C30 | O31 | doub | 1.21Å | 1.24Å | |
| C26 | C25 | sing | 1.51Å | 1.53Å | |
| C26 | O28 | sing | 1.34Å | 1.28Å | |
| C26 | O27 | doub | 1.21Å | 1.25Å | |
| C7 | C8 | sing | 1.54Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | O20 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.54Å | 1.55Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C8 | N29 | sing | 1.47Å | 1.43Å | |
| C22 | C24 | sing | 1.53Å | 1.52Å | |
| C22 | O23 | sing | 1.43Å | 1.45Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.50Å | |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C34 | C35 | sing | 1.53Å | 1.51Å | |
| C35 | N36 | sing | 1.47Å | 1.47Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| O19 | H19 | sing | 0.97Å | 0.95Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| N29 | H29 | sing | 0.97Å | 1.00Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| O28 | H28 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| N36 | H361 | sing | 1.01Å | 1.00Å | |
| N36 | H362 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 119.4° | 119.9° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C3 | C2 | H2 | 120.3° | 120.1° |
| C2 | C3 | H3 | 120.1° | 120.0° |
| C2 | C1 | C6 | 120.3° | 120.2° |
| C1 | C2 | H2 | 120.3° | 120.0° |
| C2 | C1 | H1 | 119.9° | 119.9° |
| C3 | C4 | C5 | 120.5° | 120.2° |
| C4 | C3 | H3 | 120.1° | 120.0° |
| C3 | C4 | H4 | 119.7° | 120.0° |
| C1 | C6 | C5 | 120.6° | 119.9° |
| C1 | C6 | C7 | 127.5° | 130.4° |
| C6 | C1 | H1 | 119.8° | 119.9° |
| C4 | C5 | C6 | 119.4° | 119.8° |
| C4 | C5 | C9 | 128.1° | 130.4° |
| C5 | C4 | H4 | 119.7° | 119.8° |
| C13 | C12 | C11 | 120.8° | 120.3° |
| C12 | C13 | C14 | 118.9° | 120.4° |
| C13 | C12 | H12 | 119.6° | 119.8° |
| C12 | C13 | H13 | 120.6° | 119.8° |
| C12 | C11 | C16 | 119.2° | 120.0° |
| C12 | C11 | C10 | 125.3° | 120.0° |
| C11 | C12 | H12 | 119.6° | 119.8° |
| C13 | C14 | C15 | 120.6° | 119.9° |
| C13 | C14 | O23 | 117.3° | 119.4° |
| C14 | C13 | H13 | 120.5° | 119.8° |
| C11 | C16 | C15 | 119.7° | 119.7° |
| C11 | C16 | C17 | 121.2° | 120.2° |
| C16 | C11 | C10 | 115.6° | 120.0° |
| C15 | C16 | C17 | 119.1° | 120.1° |
| C16 | C15 | C14 | 120.8° | 119.7° |
| C16 | C15 | O20 | 117.1° | 119.5° |
| C16 | C17 | O19 | 121.6° | 120.0° |
| C16 | C17 | O18 | 118.6° | 120.0° |
| C5 | C6 | C7 | 112.0° | 109.7° |
| C6 | C5 | C9 | 112.3° | 109.8° |
| C6 | C7 | C8 | 99.5° | 105.2° |
| C6 | C7 | H71C | 111.9° | 110.3° |
| C6 | C7 | H72C | 111.9° | 110.3° |
| C5 | C9 | C8 | 98.5° | 105.2° |
| C5 | C9 | C10 | 118.4° | 110.3° |
| C5 | C9 | H9 | 108.0° | 110.3° |
| C11 | C10 | C9 | 112.6° | 109.5° |
| C11 | C10 | H101 | 108.7° | 109.4° |
| C11 | C10 | H102 | 108.7° | 109.4° |
| C15 | C14 | O23 | 122.0° | 120.8° |
| C14 | C15 | O20 | 122.0° | 120.8° |
| C14 | O23 | C22 | 114.8° | 116.7° |
| C15 | O20 | C21 | 111.2° | 116.8° |
| O19 | C17 | O18 | 119.8° | 120.0° |
| C17 | O19 | H19 | 109.5° | 116.9° |
| C32 | C30 | N29 | 107.5° | 120.0° |
| C32 | C30 | O31 | 125.8° | 120.0° |
| C30 | C32 | C33 | 109.0° | 109.5° |
| C30 | C32 | H321 | 109.6° | 109.4° |
| C30 | C32 | H322 | 109.6° | 109.5° |
| N29 | C30 | O31 | 126.6° | 120.0° |
| C30 | N29 | C8 | 121.0° | 120.0° |
| C30 | N29 | H29 | 119.5° | 120.1° |
| C25 | C26 | O28 | 118.7° | 120.0° |
| C25 | C26 | O27 | 115.1° | 120.0° |
| C26 | C25 | C24 | 106.1° | 109.5° |
| C26 | C25 | H251 | 110.3° | 109.5° |
| C26 | C25 | H252 | 110.3° | 109.4° |
| O28 | C26 | O27 | 126.2° | 119.9° |
| C26 | O28 | H28 | 109.5° | 117.1° |
| C7 | C8 | C9 | 108.5° | 102.4° |
| C7 | C8 | N29 | 112.0° | 110.9° |
| C8 | C7 | H71C | 111.9° | 110.3° |
| C8 | C7 | H72C | 111.9° | 110.3° |
| C7 | C8 | H8 | 106.9° | 110.8° |
| C22 | C21 | O20 | 108.0° | 108.3° |
| C21 | C22 | C24 | 106.9° | 109.7° |
| C21 | C22 | O23 | 109.9° | 108.3° |
| C22 | C21 | H211 | 109.8° | 109.7° |
| C22 | C21 | H212 | 109.8° | 109.7° |
| C21 | C22 | H22 | 109.8° | 109.7° |
| O20 | C21 | H211 | 109.9° | 109.7° |
| O20 | C21 | H212 | 109.8° | 109.7° |
| C8 | C9 | C10 | 115.9° | 110.3° |
| C9 | C8 | N29 | 114.3° | 110.8° |
| C8 | C9 | H9 | 107.5° | 110.4° |
| C9 | C8 | H8 | 106.7° | 110.8° |
| C10 | C9 | H9 | 107.7° | 110.3° |
| C9 | C10 | H101 | 108.7° | 109.5° |
| C9 | C10 | H102 | 108.7° | 109.5° |
| C8 | N29 | H29 | 119.5° | 120.0° |
| N29 | C8 | H8 | 108.1° | 110.9° |
| C24 | C22 | O23 | 109.2° | 109.7° |
| C22 | C24 | C25 | 113.5° | 109.5° |
| C24 | C22 | H22 | 110.0° | 109.7° |
| C22 | C24 | H241 | 108.5° | 109.5° |
| C22 | C24 | H242 | 108.4° | 109.5° |
| O23 | C22 | H22 | 111.0° | 109.7° |
| C32 | C33 | C34 | 110.8° | 109.5° |
| C33 | C32 | H321 | 109.6° | 109.5° |
| C33 | C32 | H322 | 109.5° | 109.5° |
| C32 | C33 | H331 | 109.1° | 109.5° |
| C32 | C33 | H332 | 109.1° | 109.5° |
| C24 | C25 | H251 | 110.3° | 109.5° |
| C24 | C25 | H252 | 110.3° | 109.5° |
| C25 | C24 | H241 | 108.5° | 109.5° |
| C25 | C24 | H242 | 108.5° | 109.5° |
| C33 | C34 | C35 | 106.6° | 109.5° |
| C34 | C33 | H331 | 109.1° | 109.5° |
| C34 | C33 | H332 | 109.1° | 109.4° |
| C33 | C34 | H341 | 110.2° | 109.5° |
| C33 | C34 | H342 | 110.2° | 109.4° |
| C34 | C35 | N36 | 107.4° | 109.5° |
| C35 | C34 | H341 | 110.2° | 109.5° |
| C35 | C34 | H342 | 110.2° | 109.5° |
| C34 | C35 | H351 | 110.0° | 109.5° |
| C34 | C35 | H352 | 110.0° | 109.5° |
| N36 | C35 | H351 | 109.9° | 109.5° |
| N36 | C35 | H352 | 110.0° | 109.5° |
| C35 | N36 | H361 | 109.5° | 111.0° |
| C35 | N36 | H362 | 109.5° | 111.0° |
| H71C | C7 | H72C | 109.5° | 110.3° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.7° |
| H241 | C24 | H242 | 109.4° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.4° |
| H361 | N36 | H362 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2 | 180.0° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 1.0° | 0.0° |
| C2 | C3 | C4 | C5 | 1.3° | 0.0° |
| C3 | C2 | C1 | H1 | 179.0° | 180.0° |
| C2 | C3 | C4 | H4 | 178.7° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 1.1° | 0.0° |
| C2 | C1 | C6 | C7 | 179.2° | 180.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.2° | 0.1° |
| C3 | C4 | C5 | C9 | 176.7° | 180.0° |
| C4 | C3 | C2 | H2 | 179.8° | 179.7° |
| C1 | C6 | C5 | C4 | 0.0° | 0.1° |
| C1 | C6 | C5 | C7 | 179.7° | 179.9° |
| C1 | C6 | C5 | C9 | 176.2° | 180.0° |
| C1 | C6 | C7 | C8 | 159.1° | 162.8° |
| C6 | C1 | C2 | H2 | 179.0° | 179.7° |
| C1 | C6 | C7 | H71C | 82.6° | 78.3° |
| C1 | C6 | C7 | H72C | 40.7° | 43.8° |
| C4 | C5 | C6 | C9 | 176.2° | 180.0° |
| C4 | C5 | C6 | C7 | 179.8° | 180.0° |
| C4 | C5 | C9 | C8 | 160.8° | 162.9° |
| C4 | C5 | C9 | C10 | 73.5° | 78.2° |
| C5 | C4 | C3 | H3 | 178.8° | 179.9° |
| C4 | C5 | C9 | H9 | 49.2° | 43.9° |
| C13 | C12 | C11 | H12 | 180.0° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.8° | 0.1° |
| C13 | C12 | C11 | C10 | 179.7° | 180.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.2° |
| C12 | C13 | C14 | O23 | 178.2° | 179.6° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C11 | C16 | C10 | 179.5° | 179.9° |
| C12 | C11 | C16 | C15 | 0.6° | 0.1° |
| C12 | C11 | C16 | C17 | 179.9° | 180.0° |
| C12 | C11 | C10 | C9 | 18.9° | 98.1° |
| C11 | C12 | C13 | H13 | 179.8° | 180.0° |
| C12 | C11 | C10 | H101 | 101.6° | 141.8° |
| C12 | C11 | C10 | H102 | 139.4° | 21.9° |
| C13 | C14 | C15 | C16 | 0.7° | 0.2° |
| C13 | C14 | C15 | O23 | 178.6° | 179.8° |
| C13 | C14 | C15 | O20 | 178.1° | 179.6° |
| C13 | C14 | O23 | C22 | 170.4° | 162.9° |
| C14 | C13 | C12 | H12 | 179.8° | 179.7° |
| C11 | C16 | C15 | C17 | 179.5° | 179.9° |
| C11 | C16 | C15 | C14 | 0.1° | 0.0° |
| C11 | C16 | C15 | O20 | 177.7° | 179.8° |
| C11 | C16 | C17 | O19 | 129.9° | 84.5° |
| C11 | C16 | C17 | O18 | 51.9° | 95.5° |
| C16 | C11 | C10 | C9 | 161.6° | 81.8° |
| C16 | C11 | C12 | H12 | 179.2° | 179.8° |
| C16 | C11 | C10 | H101 | 77.9° | 38.3° |
| C16 | C11 | C10 | H102 | 41.1° | 158.2° |
| C15 | C16 | C11 | C10 | 179.8° | 180.0° |
| C16 | C15 | C14 | O20 | 177.4° | 179.8° |
| C16 | C15 | C14 | O23 | 177.9° | 179.6° |
| C15 | C16 | C17 | O19 | 49.5° | 95.4° |
| C15 | C16 | C17 | O18 | 128.6° | 84.6° |
| C16 | C15 | O20 | C21 | 155.2° | 162.7° |
| C17 | C16 | C11 | C10 | 0.4° | 0.0° |
| C17 | C16 | C15 | C14 | 179.4° | 179.9° |
| C17 | C16 | C15 | O20 | 1.8° | 0.3° |
| C16 | C17 | O19 | O18 | 178.1° | 180.0° |
| C16 | C17 | O19 | H19 | 178.1° | 174.9° |
| C5 | C6 | C7 | C8 | 20.7° | 17.1° |
| C6 | C5 | C9 | C8 | 15.0° | 17.2° |
| C6 | C5 | C9 | C10 | 110.6° | 101.7° |
| C5 | C6 | C1 | H1 | 178.9° | 180.0° |
| C6 | C5 | C4 | H4 | 178.8° | 180.0° |
| C5 | C6 | C7 | H71C | 97.7° | 101.8° |
| C5 | C6 | C7 | H72C | 139.0° | 136.1° |
| C6 | C5 | C9 | H9 | 126.6° | 136.2° |
| C7 | C6 | C5 | C9 | 3.5° | 0.0° |
| C6 | C7 | C8 | H71C | 118.3° | 118.9° |
| C6 | C7 | C8 | H72C | 118.4° | 119.0° |
| C6 | C7 | C8 | C9 | 30.1° | 26.3° |
| C6 | C7 | C8 | N29 | 157.1° | 144.6° |
| C7 | C6 | C1 | H1 | 0.8° | 0.0° |
| C6 | C7 | H71C | H72C | 124.7° | 122.1° |
| C6 | C7 | C8 | H8 | 84.6° | 91.9° |
| C5 | C9 | C10 | C11 | 76.4° | 64.6° |
| C5 | C9 | C8 | C7 | 28.0° | 26.3° |
| C5 | C9 | C8 | C10 | 127.4° | 118.9° |
| C5 | C9 | C8 | H9 | 112.0° | 119.0° |
| C5 | C9 | C10 | H9 | 122.9° | 122.1° |
| C5 | C9 | C8 | N29 | 153.7° | 144.6° |
| C9 | C5 | C4 | H4 | 3.3° | 0.1° |
| C5 | C9 | C10 | H101 | 163.1° | 175.5° |
| C5 | C9 | C10 | H102 | 44.1° | 55.5° |
| C5 | C9 | C8 | H8 | 86.9° | 91.9° |
| C11 | C10 | C9 | C8 | 166.9° | 179.7° |
| C11 | C10 | C9 | H101 | 120.5° | 120.0° |
| C11 | C10 | C9 | H102 | 120.5° | 120.0° |
| C10 | C11 | C12 | H12 | 0.3° | 0.3° |
| C11 | C10 | C9 | H9 | 46.5° | 57.5° |
| C11 | C10 | H101 | H102 | 118.6° | 119.9° |
| C14 | C15 | O20 | C21 | 22.4° | 17.5° |
| C15 | C14 | O23 | C22 | 10.9° | 17.3° |
| C15 | C14 | C13 | H13 | 179.5° | 179.8° |
| O23 | C14 | C15 | O20 | 0.5° | 0.6° |
| C14 | O23 | C22 | C21 | 42.3° | 46.1° |
| C14 | O23 | C22 | C24 | 159.2° | 165.9° |
| O23 | C14 | C13 | H13 | 1.8° | 0.4° |
| C14 | O23 | C22 | H22 | 79.4° | 73.6° |
| C15 | O20 | C21 | C22 | 52.5° | 46.3° |
| C15 | O20 | C21 | H211 | 172.3° | 166.0° |
| C15 | O20 | C21 | H212 | 67.3° | 73.4° |
| O18 | C17 | O19 | H19 | 0.0° | 5.1° |
| C32 | C30 | N29 | O31 | 179.0° | 180.0° |
| C32 | C30 | N29 | C8 | 172.5° | 180.0° |
| C30 | C32 | C33 | H321 | 120.0° | 120.0° |
| C30 | C32 | C33 | H322 | 119.9° | 120.0° |
| C30 | C32 | C33 | C34 | 179.1° | 180.0° |
| C30 | C32 | H321 | H322 | 120.2° | 120.0° |
| C32 | C30 | N29 | H29 | 7.4° | 0.1° |
| C30 | C32 | C33 | H331 | 58.9° | 60.0° |
| C30 | C32 | C33 | H332 | 60.8° | 60.0° |
| C30 | N29 | C8 | C7 | 145.2° | 90.0° |
| C30 | N29 | C8 | C9 | 91.0° | 157.0° |
| C30 | N29 | C8 | H29 | 180.0° | 180.0° |
| N29 | C30 | C32 | C33 | 178.2° | 180.0° |
| N29 | C30 | C32 | H321 | 61.8° | 60.0° |
| N29 | C30 | C32 | H322 | 58.4° | 60.0° |
| C30 | N29 | C8 | H8 | 27.7° | 33.5° |
| O31 | C30 | N29 | C8 | 8.5° | 0.0° |
| O31 | C30 | C32 | C33 | 0.8° | 0.0° |
| O31 | C30 | C32 | H321 | 119.2° | 120.0° |
| O31 | C30 | C32 | H322 | 120.7° | 120.0° |
| O31 | C30 | N29 | H29 | 171.6° | 180.0° |
| C25 | C26 | O28 | O27 | 177.1° | 180.0° |
| C26 | C25 | C24 | C22 | 66.6° | 180.0° |
| C26 | C25 | C24 | H251 | 119.5° | 120.0° |
| C26 | C25 | C24 | H252 | 119.5° | 119.9° |
| C26 | C25 | H251 | H252 | 121.6° | 120.0° |
| C25 | C26 | O28 | H28 | 177.1° | 180.0° |
| C26 | C25 | C24 | H241 | 172.8° | 60.0° |
| C26 | C25 | C24 | H242 | 54.0° | 60.0° |
| O28 | C26 | C25 | C24 | 133.2° | 180.0° |
| O28 | C26 | C25 | H251 | 107.4° | 60.0° |
| O28 | C26 | C25 | H252 | 13.7° | 60.0° |
| O27 | C26 | C25 | C24 | 49.4° | 0.0° |
| O27 | C26 | C25 | H251 | 70.0° | 120.0° |
| O27 | C26 | C25 | H252 | 168.9° | 120.0° |
| O27 | C26 | O28 | H28 | 0.0° | 0.0° |
| C7 | C8 | C9 | N29 | 125.7° | 118.3° |
| C7 | C8 | C9 | H8 | 114.9° | 118.2° |
| C7 | C8 | C9 | C10 | 99.4° | 92.6° |
| C7 | C8 | N29 | H8 | 117.5° | 123.5° |
| C8 | C7 | H71C | H72C | 124.7° | 122.1° |
| C7 | C8 | C9 | H9 | 140.0° | 145.3° |
| C7 | C8 | N29 | H29 | 34.8° | 90.0° |
| C22 | C21 | O20 | H211 | 119.8° | 119.7° |
| C22 | C21 | O20 | H212 | 119.7° | 119.7° |
| C21 | C22 | C24 | O23 | 118.8° | 118.8° |
| C21 | C22 | C24 | H22 | 119.2° | 120.6° |
| C21 | C22 | O23 | H22 | 121.7° | 119.7° |
| C21 | C22 | C24 | C25 | 166.1° | 175.0° |
| C22 | C21 | H211 | H212 | 120.7° | 120.6° |
| C21 | C22 | C24 | H241 | 45.4° | 65.0° |
| C21 | C22 | C24 | H242 | 73.3° | 55.0° |
| O20 | C21 | C22 | C24 | 177.2° | 179.3° |
| O20 | C21 | C22 | O23 | 64.4° | 59.6° |
| O20 | C21 | H211 | H212 | 120.7° | 120.6° |
| O20 | C21 | C22 | H22 | 57.9° | 60.1° |
| C8 | C9 | C10 | H9 | 120.4° | 122.2° |
| C9 | C8 | N29 | H8 | 118.6° | 123.5° |
| C9 | C8 | C7 | H71C | 88.3° | 92.6° |
| C9 | C8 | C7 | H72C | 148.5° | 145.2° |
| C8 | C9 | C10 | H101 | 46.4° | 59.7° |
| C8 | C9 | C10 | H102 | 72.6° | 60.3° |
| C9 | C8 | N29 | H29 | 89.0° | 23.0° |
| C10 | C9 | C8 | N29 | 26.2° | 25.7° |
| C9 | C10 | H101 | H102 | 118.5° | 120.1° |
| C10 | C9 | C8 | H8 | 145.7° | 149.2° |
| N29 | C8 | C7 | H71C | 38.8° | 25.6° |
| N29 | C8 | C7 | H72C | 84.5° | 96.5° |
| N29 | C8 | C9 | H9 | 94.3° | 96.5° |
| C24 | C22 | O23 | H22 | 121.4° | 120.6° |
| C22 | C24 | C25 | H241 | 120.6° | 120.0° |
| C22 | C24 | C25 | H242 | 120.6° | 120.0° |
| C22 | C24 | C25 | H251 | 173.9° | 60.0° |
| C22 | C24 | C25 | H252 | 52.9° | 60.0° |
| C24 | C22 | C21 | H211 | 57.4° | 60.9° |
| C24 | C22 | C21 | H212 | 63.1° | 59.6° |
| C22 | C24 | H241 | H242 | 118.1° | 120.0° |
| O23 | C22 | C24 | C25 | 47.2° | 66.2° |
| O23 | C22 | C21 | H211 | 175.8° | 179.4° |
| O23 | C22 | C21 | H212 | 55.3° | 60.1° |
| O23 | C22 | C24 | H241 | 73.4° | 53.8° |
| O23 | C22 | C24 | H242 | 167.8° | 173.8° |
| C32 | C33 | C34 | H331 | 120.2° | 120.0° |
| C32 | C33 | C34 | H332 | 120.2° | 120.0° |
| C32 | C33 | C34 | C35 | 166.8° | 180.0° |
| C33 | C32 | H321 | H322 | 120.2° | 120.0° |
| C32 | C33 | H331 | H332 | 119.4° | 120.0° |
| C32 | C33 | C34 | H341 | 47.2° | 60.0° |
| C32 | C33 | C34 | H342 | 73.7° | 60.0° |
| C24 | C25 | H251 | H252 | 121.5° | 120.0° |
| C25 | C24 | C22 | H22 | 74.8° | 54.4° |
| C25 | C24 | H241 | H242 | 118.2° | 120.0° |
| C33 | C34 | C35 | H341 | 119.5° | 120.0° |
| C33 | C34 | C35 | H342 | 119.5° | 120.0° |
| C33 | C34 | C35 | N36 | 175.6° | 180.0° |
| C34 | C33 | C32 | H321 | 61.0° | 60.0° |
| C34 | C33 | C32 | H322 | 59.1° | 60.0° |
| C34 | C33 | H331 | H332 | 119.4° | 120.0° |
| C33 | C34 | H341 | H342 | 121.3° | 119.9° |
| C33 | C34 | C35 | H351 | 64.7° | 60.0° |
| C33 | C34 | C35 | H352 | 55.9° | 60.0° |
| C34 | C35 | N36 | H351 | 119.7° | 120.0° |
| C34 | C35 | N36 | H352 | 119.7° | 120.1° |
| C35 | C34 | C33 | H331 | 73.0° | 60.0° |
| C35 | C34 | C33 | H332 | 46.6° | 60.0° |
| C35 | C34 | H341 | H342 | 121.3° | 120.1° |
| C34 | C35 | H351 | H352 | 120.9° | 120.0° |
| C34 | C35 | N36 | H361 | 180.0° | 180.0° |
| C34 | C35 | N36 | H362 | 60.0° | 56.1° |
| N36 | C35 | C34 | H341 | 56.1° | 60.0° |
| N36 | C35 | C34 | H342 | 64.8° | 60.0° |
| N36 | C35 | H351 | H352 | 120.9° | 120.0° |
| C35 | N36 | H361 | H362 | 120.0° | 123.9° |
| H2 | C2 | C3 | H3 | 0.2° | 0.4° |
| H2 | C2 | C1 | H1 | 1.0° | 0.3° |
| H3 | C3 | C4 | H4 | 1.2° | 0.0° |
| H12 | C12 | C13 | H13 | 0.2° | 0.3° |
| H71C | C7 | C8 | H8 | 157.0° | 149.2° |
| H72C | C7 | C8 | H8 | 33.8° | 27.0° |
| H9 | C9 | C10 | H101 | 74.0° | 62.4° |
| H9 | C9 | C10 | H102 | 167.0° | 177.6° |
| H9 | C9 | C8 | H8 | 25.1° | 27.1° |
| H321 | C32 | C33 | H331 | 178.8° | 180.0° |
| H321 | C32 | C33 | H332 | 59.2° | 60.0° |
| H322 | C32 | C33 | H331 | 61.0° | 60.0° |
| H322 | C32 | C33 | H332 | 179.3° | 179.9° |
| H29 | N29 | C8 | H8 | 152.4° | 146.5° |
| H251 | C25 | C24 | H241 | 53.3° | 60.0° |
| H251 | C25 | C24 | H242 | 65.5° | 180.0° |
| H252 | C25 | C24 | H241 | 67.7° | 180.0° |
| H252 | C25 | C24 | H242 | 173.5° | 60.0° |
| H211 | C21 | C22 | H22 | 61.8° | 59.6° |
| H212 | C21 | C22 | H22 | 177.7° | 179.8° |
| H22 | C22 | C24 | H241 | 164.6° | 174.4° |
| H22 | C22 | C24 | H242 | 45.8° | 65.6° |
| H331 | C33 | C34 | H341 | 167.4° | 180.0° |
| H331 | C33 | C34 | H342 | 46.5° | 60.0° |
| H332 | C33 | C34 | H341 | 72.9° | 60.0° |
| H332 | C33 | C34 | H342 | 166.2° | 180.0° |
| H341 | C34 | C35 | H351 | 175.7° | NaN° |
| H341 | C34 | C35 | H352 | 63.6° | 60.0° |
| H342 | C34 | C35 | H351 | 54.8° | 60.0° |
| H342 | C34 | C35 | H352 | 175.5° | 179.9° |
| H351 | C35 | N36 | H361 | 60.3° | 60.0° |
| H351 | C35 | N36 | H362 | 179.7° | 176.1° |
| H352 | C35 | N36 | H361 | 60.3° | 60.0° |
| H352 | C35 | N36 | H362 | 59.7° | 64.0° |
