7ET
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | S01 | doub | 1.42Å | 1.46Å | |
| C25 | C24 | doub | 1.38Å | 1.35Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.33Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.35Å | Aromatic |
| S01 | O05 | doub | 1.42Å | 1.46Å | |
| S01 | O04 | sing | 1.52Å | 1.67Å | |
| S01 | C17 | sing | 1.81Å | 1.86Å | |
| C26 | C27 | doub | 1.38Å | 1.34Å | Aromatic |
| C23 | O04 | sing | 1.36Å | 1.37Å | |
| C23 | C28 | doub | 1.39Å | 1.34Å | Aromatic |
| C18 | C17 | sing | 1.55Å | 1.55Å | |
| C18 | C16 | sing | 1.56Å | 1.54Å | |
| C17 | C09 | sing | 1.56Å | 1.54Å | |
| C27 | C28 | sing | 1.38Å | 1.34Å | Aromatic |
| C27 | F01 | sing | 1.35Å | 1.32Å | |
| C16 | O01 | sing | 1.47Å | 1.40Å | |
| C16 | C07 | sing | 1.53Å | 1.53Å | |
| C09 | O01 | sing | 1.47Å | 1.41Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C05 | C06 | doub | 1.38Å | 1.34Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.35Å | Aromatic |
| C07 | C08 | doub | 1.36Å | 1.36Å | |
| C07 | C04 | sing | 1.47Å | 1.36Å | |
| C08 | C10 | sing | 1.47Å | 1.34Å | |
| C06 | C01 | sing | 1.39Å | 1.35Å | Aromatic |
| C04 | C03 | doub | 1.40Å | 1.35Å | Aromatic |
| C15 | C10 | doub | 1.40Å | 1.35Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.34Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.35Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.35Å | Aromatic |
| C01 | O03 | sing | 1.36Å | 1.36Å | |
| C01 | C02 | doub | 1.39Å | 1.34Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.34Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.35Å | Aromatic |
| C13 | O02 | sing | 1.36Å | 1.38Å | |
| C30 | C22 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C19 | O02 | sing | 1.43Å | 1.41Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C22 | N01 | sing | 1.47Å | 1.46Å | |
| C20 | N01 | sing | 1.47Å | 1.46Å | |
| C31 | C29 | sing | 1.53Å | 1.53Å | |
| N01 | C21 | sing | 1.47Å | 1.47Å | |
| C29 | C21 | sing | 1.53Å | 1.54Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| O03 | H23 | sing | 0.97Å | 0.95Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | S01 | O05 | 121.8° | 121.0° |
| O06 | S01 | O04 | 116.4° | 104.3° |
| O06 | S01 | C17 | 100.3° | 110.5° |
| C24 | C25 | C26 | 119.2° | 120.1° |
| C25 | C24 | C23 | 123.2° | 120.0° |
| C25 | C24 | H24 | 118.4° | 120.0° |
| C24 | C25 | H25 | 120.4° | 119.9° |
| C25 | C26 | C27 | 119.1° | 120.1° |
| C26 | C25 | H25 | 120.4° | 120.0° |
| C25 | C26 | H26 | 120.5° | 119.9° |
| C24 | C23 | O04 | 121.3° | 120.0° |
| C24 | C23 | C28 | 116.2° | 120.0° |
| C23 | C24 | H24 | 118.4° | 120.0° |
| O05 | S01 | O04 | 115.6° | 104.3° |
| O05 | S01 | C17 | 101.5° | 110.5° |
| O04 | S01 | C17 | 92.6° | 104.4° |
| S01 | O04 | C23 | 112.9° | 114.0° |
| S01 | C17 | C18 | 117.3° | 111.0° |
| S01 | C17 | C09 | 115.8° | 110.9° |
| S01 | C17 | H11 | 105.9° | 110.8° |
| C26 | C27 | C28 | 121.0° | 120.0° |
| C26 | C27 | F01 | 119.6° | 120.0° |
| C27 | C26 | H26 | 120.4° | 120.0° |
| O04 | C23 | C28 | 122.5° | 120.0° |
| C23 | C28 | C27 | 121.4° | 119.9° |
| C23 | C28 | H27 | 119.3° | 120.1° |
| C17 | C18 | C16 | 100.3° | 101.9° |
| C18 | C17 | C09 | 99.1° | 102.0° |
| C18 | C17 | H11 | 109.2° | 110.8° |
| C17 | C18 | H12 | 111.7° | 110.9° |
| C17 | C18 | H13 | 111.7° | 110.9° |
| C18 | C16 | O01 | 98.8° | 101.0° |
| C18 | C16 | C07 | 109.3° | 105.4° |
| C18 | C16 | H10 | 113.9° | 116.2° |
| C16 | C18 | H12 | 111.7° | 110.9° |
| C16 | C18 | H13 | 111.7° | 111.0° |
| C17 | C09 | O01 | 105.2° | 101.1° |
| C17 | C09 | C08 | 101.6° | 105.2° |
| C17 | C09 | H5 | 114.2° | 116.2° |
| C09 | C17 | H11 | 109.4° | 111.0° |
| C28 | C27 | F01 | 119.5° | 120.0° |
| C27 | C28 | H27 | 119.3° | 120.1° |
| O01 | C16 | C07 | 103.0° | 100.5° |
| C16 | O01 | C09 | 96.4° | 96.9° |
| O01 | C16 | H10 | 116.4° | 115.9° |
| C16 | C07 | C08 | 104.0° | 106.0° |
| C16 | C07 | C04 | 123.0° | 127.0° |
| C07 | C16 | H10 | 113.9° | 115.5° |
| O01 | C09 | C08 | 102.9° | 100.7° |
| O01 | C09 | H5 | 116.6° | 116.0° |
| C09 | C08 | C07 | 104.1° | 106.0° |
| C09 | C08 | C10 | 119.4° | 127.0° |
| C08 | C09 | H5 | 114.6° | 115.5° |
| C06 | C05 | C04 | 121.9° | 119.9° |
| C05 | C06 | C01 | 121.4° | 120.1° |
| C06 | C05 | H3 | 119.1° | 120.1° |
| C05 | C06 | H4 | 119.3° | 120.0° |
| C05 | C04 | C07 | 121.6° | 120.1° |
| C05 | C04 | C03 | 115.8° | 119.7° |
| C04 | C05 | H3 | 119.0° | 120.0° |
| C08 | C07 | C04 | 132.9° | 127.0° |
| C07 | C08 | C10 | 136.3° | 127.0° |
| C07 | C04 | C03 | 122.6° | 120.2° |
| C08 | C10 | C15 | 120.7° | 120.1° |
| C08 | C10 | C11 | 123.3° | 120.1° |
| C06 | C01 | O03 | 121.4° | 119.9° |
| C06 | C01 | C02 | 117.4° | 120.3° |
| C01 | C06 | H4 | 119.3° | 119.9° |
| C04 | C03 | C02 | 122.7° | 120.0° |
| C04 | C03 | H2 | 118.7° | 120.0° |
| C10 | C15 | C14 | 121.6° | 119.9° |
| C15 | C10 | C11 | 116.0° | 119.8° |
| C10 | C15 | H9 | 119.2° | 120.1° |
| C15 | C14 | C13 | 122.8° | 120.1° |
| C15 | C14 | H8 | 118.6° | 119.9° |
| C14 | C15 | H9 | 119.2° | 120.0° |
| C10 | C11 | C12 | 122.0° | 119.9° |
| C10 | C11 | H6 | 119.0° | 120.1° |
| C14 | C13 | C12 | 115.2° | 120.2° |
| C14 | C13 | O02 | 125.7° | 119.9° |
| C13 | C14 | H8 | 118.6° | 119.9° |
| O03 | C01 | C02 | 121.2° | 119.9° |
| C01 | O03 | H23 | 109.5° | 114.0° |
| C01 | C02 | C03 | 120.8° | 120.1° |
| C01 | C02 | H1 | 119.6° | 120.0° |
| C11 | C12 | C13 | 122.4° | 120.1° |
| C12 | C11 | H6 | 119.0° | 120.1° |
| C11 | C12 | H7 | 118.8° | 119.9° |
| C03 | C02 | H1 | 119.6° | 120.0° |
| C02 | C03 | H2 | 118.7° | 120.1° |
| C12 | C13 | O02 | 119.1° | 119.9° |
| C13 | C12 | H7 | 118.8° | 119.9° |
| C13 | O02 | C19 | 119.1° | 117.0° |
| C22 | C30 | C31 | 110.3° | 109.3° |
| C30 | C22 | N01 | 115.8° | 109.5° |
| C30 | C22 | H21 | 107.9° | 109.5° |
| C30 | C22 | H22 | 107.9° | 109.5° |
| C22 | C30 | H30 | 109.3° | 109.5° |
| C22 | C30 | H31 | 109.3° | 109.5° |
| C30 | C31 | C29 | 105.6° | 109.1° |
| C31 | C30 | H30 | 109.3° | 109.5° |
| C31 | C30 | H31 | 109.3° | 109.5° |
| C30 | C31 | H32 | 110.4° | 109.5° |
| C30 | C31 | H33 | 110.5° | 109.5° |
| O02 | C19 | C20 | 109.0° | 109.5° |
| O02 | C19 | H14 | 109.6° | 109.5° |
| O02 | C19 | H15 | 109.6° | 109.5° |
| C19 | C20 | N01 | 112.4° | 109.5° |
| C20 | C19 | H14 | 109.6° | 109.4° |
| C20 | C19 | H15 | 109.6° | 109.5° |
| C19 | C20 | H16 | 108.7° | 109.5° |
| C19 | C20 | H17 | 108.7° | 109.5° |
| C22 | N01 | C20 | 115.5° | 111.0° |
| C22 | N01 | C21 | 118.3° | 111.2° |
| N01 | C22 | H21 | 107.9° | 109.5° |
| N01 | C22 | H22 | 107.9° | 109.4° |
| C20 | N01 | C21 | 114.3° | 111.0° |
| N01 | C20 | H16 | 108.7° | 109.5° |
| N01 | C20 | H17 | 108.7° | 109.5° |
| C31 | C29 | C21 | 110.8° | 109.3° |
| C31 | C29 | H28 | 109.2° | 109.5° |
| C31 | C29 | H29 | 109.1° | 109.5° |
| C29 | C31 | H32 | 110.4° | 109.5° |
| C29 | C31 | H33 | 110.4° | 109.5° |
| N01 | C21 | C29 | 116.9° | 109.5° |
| N01 | C21 | H19 | 107.6° | 109.4° |
| N01 | C21 | H20 | 107.6° | 109.5° |
| C29 | C21 | H19 | 107.6° | 109.5° |
| C29 | C21 | H20 | 107.6° | 109.5° |
| C21 | C29 | H28 | 109.1° | 109.5° |
| C21 | C29 | H29 | 109.1° | 109.5° |
| H12 | C18 | H13 | 109.4° | 110.9° |
| H14 | C19 | H15 | 109.5° | 109.4° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.4° | 109.5° |
| H28 | C29 | H29 | 109.4° | 109.5° |
| H30 | C30 | H31 | 109.4° | 109.5° |
| H32 | C31 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | S01 | O05 | O04 | 151.4° | 116.7° |
| O06 | S01 | O05 | C17 | 110.0° | 131.5° |
| O06 | S01 | O04 | C17 | 102.9° | 116.1° |
| O06 | S01 | O04 | C23 | 113.6° | 41.5° |
| O06 | S01 | C17 | C18 | 32.1° | 174.7° |
| O06 | S01 | C17 | C09 | 148.6° | 72.6° |
| O06 | S01 | C17 | H11 | 90.0° | 51.1° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C25 | C24 | C23 | H24 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.6° | 0.0° |
| C25 | C24 | C23 | O04 | 180.0° | 180.0° |
| C25 | C24 | C23 | C28 | 0.1° | 0.3° |
| C24 | C25 | C26 | H26 | 179.5° | 180.0° |
| C26 | C25 | C24 | C23 | 0.3° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.6° | 0.4° |
| C25 | C26 | C27 | F01 | 179.7° | 180.0° |
| C26 | C25 | C24 | H24 | 179.7° | 180.0° |
| C24 | C23 | O04 | S01 | 97.5° | 88.6° |
| C24 | C23 | O04 | C28 | 179.9° | 179.7° |
| C24 | C23 | C28 | C27 | 0.1° | 0.7° |
| C23 | C24 | C25 | H25 | 179.7° | 179.9° |
| C24 | C23 | C28 | H27 | 179.8° | 179.7° |
| O05 | S01 | O04 | C17 | 104.1° | 116.1° |
| O05 | S01 | O04 | C23 | 39.4° | 169.4° |
| O05 | S01 | C17 | C18 | 157.8° | 48.6° |
| O05 | S01 | C17 | C09 | 85.7° | 64.1° |
| O05 | S01 | C17 | H11 | 35.7° | 172.2° |
| S01 | O04 | C23 | C28 | 82.6° | 91.0° |
| O04 | S01 | C17 | C18 | 85.3° | 63.1° |
| O04 | S01 | C17 | C09 | 31.2° | 175.8° |
| O04 | S01 | C17 | H11 | 152.6° | 60.5° |
| C17 | S01 | O04 | C23 | 143.5° | 74.5° |
| S01 | C17 | C18 | C09 | 125.3° | 118.2° |
| S01 | C17 | C18 | H11 | 120.4° | 123.6° |
| S01 | C17 | C18 | C16 | 138.9° | 118.3° |
| S01 | C17 | C09 | H11 | 119.5° | 123.6° |
| S01 | C17 | C09 | O01 | 103.0° | 83.4° |
| S01 | C17 | C09 | C08 | 150.0° | 172.2° |
| S01 | C17 | C09 | H5 | 26.1° | 43.0° |
| S01 | C17 | C18 | H12 | 20.4° | 123.6° |
| S01 | C17 | C18 | H13 | 102.6° | 0.1° |
| C26 | C27 | C28 | C23 | 0.4° | 0.7° |
| C26 | C27 | C28 | F01 | 179.7° | 179.6° |
| C27 | C26 | C25 | H25 | 179.5° | 179.9° |
| C26 | C27 | C28 | H27 | 179.6° | 179.7° |
| O04 | C23 | C28 | C27 | 180.0° | 179.7° |
| O04 | C23 | C24 | H24 | 0.0° | 0.1° |
| O04 | C23 | C28 | H27 | 0.0° | 0.0° |
| C23 | C28 | C27 | H27 | 180.0° | 179.6° |
| C23 | C28 | C27 | F01 | 179.9° | 179.7° |
| C28 | C23 | C24 | H24 | 179.9° | 179.7° |
| C17 | C18 | C16 | H12 | 118.5° | 118.1° |
| C17 | C18 | C16 | H13 | 118.5° | 118.2° |
| C18 | C17 | C09 | H11 | 114.1° | 118.1° |
| C17 | C18 | C16 | O01 | 47.1° | 34.8° |
| C17 | C18 | C16 | C07 | 60.1° | 69.5° |
| C18 | C17 | C09 | O01 | 23.4° | 34.8° |
| C18 | C17 | C09 | C08 | 83.6° | 69.6° |
| C18 | C17 | C09 | H5 | 152.4° | 161.3° |
| C17 | C18 | C16 | H10 | 171.2° | 161.2° |
| C17 | C18 | H12 | H13 | 124.3° | 123.7° |
| C16 | C18 | C17 | C09 | 13.6° | 0.1° |
| C18 | C16 | O01 | C07 | 112.3° | 108.2° |
| C18 | C16 | O01 | H10 | 122.3° | 126.5° |
| C18 | C16 | C07 | H10 | 128.7° | 129.7° |
| C18 | C16 | O01 | C09 | 62.2° | 57.4° |
| C18 | C16 | C07 | C08 | 73.7° | 72.3° |
| C18 | C16 | C07 | C04 | 108.4° | 107.6° |
| C16 | C18 | C17 | H11 | 100.7° | 118.1° |
| C16 | C18 | H12 | H13 | 124.3° | 123.8° |
| C17 | C09 | O01 | C16 | 54.5° | 57.3° |
| C17 | C09 | O01 | C08 | 106.0° | 108.0° |
| C17 | C09 | O01 | H5 | 127.7° | 126.6° |
| C17 | C09 | C08 | H5 | 123.7° | 129.6° |
| C17 | C09 | C08 | C07 | 75.0° | 72.5° |
| C17 | C09 | C08 | C10 | 101.3° | 107.5° |
| C09 | C17 | C18 | H12 | 104.9° | 118.2° |
| C09 | C17 | C18 | H13 | 132.1° | 118.2° |
| C28 | C27 | C26 | H26 | 179.4° | 179.7° |
| F01 | C27 | C26 | H26 | 0.2° | 0.1° |
| F01 | C27 | C28 | H27 | 0.1° | 0.1° |
| O01 | C16 | C07 | H10 | 127.0° | 125.6° |
| C16 | O01 | C09 | C08 | 51.5° | 50.7° |
| O01 | C16 | C07 | C08 | 30.6° | 32.4° |
| O01 | C16 | C07 | C04 | 147.3° | 147.8° |
| C16 | O01 | C09 | H5 | 177.8° | 176.0° |
| O01 | C16 | C18 | H12 | 71.4° | 152.9° |
| O01 | C16 | C18 | H13 | 165.6° | 83.4° |
| C07 | C16 | O01 | C09 | 50.0° | 50.8° |
| C16 | C07 | C08 | C09 | 1.9° | 0.2° |
| C16 | C07 | C04 | C05 | 36.4° | 64.7° |
| C16 | C07 | C08 | C04 | 177.6° | 179.8° |
| C16 | C07 | C08 | C10 | 177.2° | 179.8° |
| C16 | C07 | C04 | C03 | 143.4° | 115.2° |
| C07 | C16 | C18 | H12 | 178.6° | 48.6° |
| C07 | C16 | C18 | H13 | 58.4° | 172.3° |
| O01 | C09 | C08 | H5 | 127.6° | 125.7° |
| O01 | C09 | C08 | C07 | 33.7° | 32.2° |
| O01 | C09 | C08 | C10 | 150.0° | 147.8° |
| C09 | O01 | C16 | H10 | 175.4° | 176.1° |
| O01 | C09 | C17 | H11 | 137.5° | 152.9° |
| C09 | C08 | C07 | C10 | 175.3° | 180.0° |
| C09 | C08 | C07 | C04 | 179.5° | 180.0° |
| C09 | C08 | C10 | C15 | 127.0° | 64.7° |
| C09 | C08 | C10 | C11 | 50.2° | 115.0° |
| C08 | C09 | C17 | H11 | 30.5° | 48.5° |
| C06 | C05 | C04 | H3 | 180.0° | 179.5° |
| C06 | C05 | C04 | C07 | 179.9° | 179.8° |
| C05 | C06 | C01 | H4 | 180.0° | 179.5° |
| C06 | C05 | C04 | C03 | 0.1° | 0.3° |
| C05 | C06 | C01 | O03 | 179.9° | 179.8° |
| C05 | C06 | C01 | C02 | 0.1° | 0.5° |
| C05 | C04 | C07 | C08 | 146.3° | 115.1° |
| C05 | C04 | C07 | C03 | 179.9° | 180.0° |
| C04 | C05 | C06 | C01 | 0.1° | 0.5° |
| C05 | C04 | C03 | C02 | 0.0° | 0.0° |
| C05 | C04 | C03 | H2 | 179.9° | 180.0° |
| C04 | C05 | C06 | H4 | 179.9° | 180.0° |
| C08 | C07 | C04 | C03 | 33.8° | 65.0° |
| C07 | C08 | C10 | C15 | 47.8° | 115.3° |
| C07 | C08 | C10 | C11 | 135.0° | 65.0° |
| C07 | C08 | C09 | H5 | 161.3° | 157.9° |
| C08 | C07 | C16 | H10 | 157.6° | 158.0° |
| C04 | C07 | C08 | C10 | 5.2° | 0.0° |
| C07 | C04 | C03 | C02 | 179.9° | 180.0° |
| C07 | C04 | C03 | H2 | 0.2° | 0.0° |
| C07 | C04 | C05 | H3 | 0.1° | 0.3° |
| C04 | C07 | C16 | H10 | 20.3° | 22.2° |
| C08 | C10 | C15 | C11 | 177.4° | 179.7° |
| C08 | C10 | C15 | C14 | 178.9° | 179.7° |
| C08 | C10 | C11 | C12 | 178.8° | 180.0° |
| C10 | C08 | C09 | H5 | 22.4° | 22.1° |
| C08 | C10 | C11 | H6 | 1.2° | 0.1° |
| C08 | C10 | C15 | H9 | 1.2° | 0.0° |
| C06 | C01 | O03 | C02 | 179.9° | 179.8° |
| C06 | C01 | C02 | C03 | 0.0° | 0.2° |
| C06 | C01 | C02 | H1 | 179.9° | 179.8° |
| C01 | C06 | C05 | H3 | 179.9° | 180.0° |
| C06 | C01 | O03 | H23 | 180.0° | 90.2° |
| C04 | C03 | C02 | C01 | 0.1° | 0.0° |
| C04 | C03 | C02 | H2 | 180.0° | 180.0° |
| C04 | C03 | C02 | H1 | 179.9° | 179.9° |
| C03 | C04 | C05 | H3 | 180.0° | 179.7° |
| C10 | C15 | C14 | H9 | 180.0° | 179.8° |
| C10 | C15 | C14 | C13 | 0.8° | 0.6° |
| C15 | C10 | C11 | C12 | 1.5° | 0.3° |
| C15 | C10 | C11 | H6 | 178.5° | 179.8° |
| C10 | C15 | C14 | H8 | 179.2° | 179.7° |
| C14 | C15 | C10 | C11 | 1.5° | 0.6° |
| C15 | C14 | C13 | H8 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 0.1° | 0.3° |
| C15 | C14 | C13 | O02 | 179.9° | 179.7° |
| C10 | C11 | C12 | H6 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.9° | 0.0° |
| C10 | C11 | C12 | H7 | 179.1° | 180.0° |
| C11 | C10 | C15 | H9 | 178.6° | 179.7° |
| C14 | C13 | C12 | C11 | 0.1° | 0.0° |
| C14 | C13 | C12 | O02 | 180.0° | 179.9° |
| C14 | C13 | O02 | C19 | 5.4° | 0.1° |
| C14 | C13 | C12 | H7 | 179.9° | 180.0° |
| C13 | C14 | C15 | H9 | 179.2° | 179.7° |
| O03 | C01 | C02 | C03 | 180.0° | 180.0° |
| O03 | C01 | C02 | H1 | 0.0° | 0.0° |
| O03 | C01 | C06 | H4 | 0.1° | 0.2° |
| C01 | C02 | C03 | H1 | 180.0° | 180.0° |
| C01 | C02 | C03 | H2 | 179.9° | 180.0° |
| C02 | C01 | C06 | H4 | 179.9° | 180.0° |
| C02 | C01 | O03 | H23 | 0.0° | 90.0° |
| C11 | C12 | C13 | H7 | 180.0° | 180.0° |
| C11 | C12 | C13 | O02 | 179.9° | 180.0° |
| C12 | C13 | O02 | C19 | 174.6° | 180.0° |
| C13 | C12 | C11 | H6 | 179.1° | 179.9° |
| C12 | C13 | C14 | H8 | 179.9° | 180.0° |
| C13 | O02 | C19 | C20 | 173.3° | 180.0° |
| O02 | C13 | C12 | H7 | 0.1° | 0.0° |
| O02 | C13 | C14 | H8 | 0.1° | 0.0° |
| C13 | O02 | C19 | H14 | 66.8° | 60.0° |
| C13 | O02 | C19 | H15 | 53.4° | 60.0° |
| C22 | C30 | C31 | H30 | 120.1° | 119.9° |
| C22 | C30 | C31 | H31 | 120.1° | 119.9° |
| C30 | C22 | N01 | H21 | 121.0° | 120.0° |
| C30 | C22 | N01 | H22 | 121.0° | 120.0° |
| C30 | C22 | N01 | C20 | 112.2° | 174.1° |
| C22 | C30 | C31 | C29 | 64.6° | 57.6° |
| C30 | C22 | N01 | C21 | 28.5° | 61.7° |
| C30 | C22 | H21 | H22 | 117.1° | 120.0° |
| C22 | C30 | H30 | H31 | 119.7° | 120.1° |
| C22 | C30 | C31 | H32 | 54.8° | 62.3° |
| C22 | C30 | C31 | H33 | 176.1° | 177.6° |
| C31 | C30 | C22 | N01 | 48.6° | 59.2° |
| C30 | C31 | C29 | H32 | 119.4° | 119.9° |
| C30 | C31 | C29 | H33 | 119.4° | 119.9° |
| C30 | C31 | C29 | C21 | 62.3° | 57.7° |
| C31 | C30 | C22 | H21 | 169.5° | 179.2° |
| C31 | C30 | C22 | H22 | 72.4° | 60.8° |
| C30 | C31 | C29 | H28 | 177.5° | 177.6° |
| C30 | C31 | C29 | H29 | 57.9° | 62.4° |
| C31 | C30 | H30 | H31 | 119.6° | 120.1° |
| C30 | C31 | H32 | H33 | 121.8° | 120.2° |
| O02 | C19 | C20 | H14 | 119.9° | 120.0° |
| O02 | C19 | C20 | H15 | 119.9° | 120.0° |
| O02 | C19 | C20 | N01 | 142.2° | 65.0° |
| O02 | C19 | H14 | H15 | 120.3° | 120.1° |
| O02 | C19 | C20 | H16 | 97.4° | 175.0° |
| O02 | C19 | C20 | H17 | 21.7° | 55.0° |
| C19 | C20 | N01 | C22 | 49.5° | 65.8° |
| C19 | C20 | N01 | H16 | 120.4° | 120.0° |
| C19 | C20 | N01 | H17 | 120.5° | 120.0° |
| C19 | C20 | N01 | C21 | 168.2° | 170.0° |
| C20 | C19 | H14 | H15 | 120.2° | 119.9° |
| C19 | C20 | H16 | H17 | 118.6° | 120.0° |
| C22 | N01 | C20 | C21 | 142.3° | 124.2° |
| C22 | N01 | C21 | C29 | 26.5° | 61.7° |
| C22 | N01 | C20 | H16 | 70.9° | 54.2° |
| C22 | N01 | C20 | H17 | 170.0° | 174.2° |
| C22 | N01 | C21 | H19 | 147.5° | 58.3° |
| C22 | N01 | C21 | H20 | 94.6° | 178.3° |
| N01 | C22 | H21 | H22 | 117.1° | 119.9° |
| N01 | C22 | C30 | H30 | 168.7° | 60.8° |
| N01 | C22 | C30 | H31 | 71.6° | 179.1° |
| C20 | N01 | C21 | C29 | 114.7° | 174.2° |
| N01 | C20 | C19 | H14 | 22.2° | 55.0° |
| N01 | C20 | C19 | H15 | 97.9° | 175.0° |
| N01 | C20 | H16 | H17 | 118.6° | 120.0° |
| C20 | N01 | C21 | H19 | 6.4° | 65.8° |
| C20 | N01 | C21 | H20 | 124.2° | 54.1° |
| C20 | N01 | C22 | H21 | 8.7° | 54.1° |
| C20 | N01 | C22 | H22 | 126.8° | 65.9° |
| C31 | C29 | C21 | N01 | 44.3° | 59.2° |
| C31 | C29 | C21 | H28 | 120.2° | 119.9° |
| C31 | C29 | C21 | H29 | 120.2° | 120.0° |
| C31 | C29 | C21 | H19 | 165.4° | 60.8° |
| C31 | C29 | C21 | H20 | 76.8° | 179.2° |
| C31 | C29 | H28 | H29 | 119.4° | 120.1° |
| C29 | C31 | C30 | H30 | 175.3° | 62.3° |
| C29 | C31 | C30 | H31 | 55.6° | 177.6° |
| C29 | C31 | H32 | H33 | 121.8° | 120.2° |
| N01 | C21 | C29 | H19 | 121.1° | 120.0° |
| N01 | C21 | C29 | H20 | 121.1° | 120.0° |
| C21 | N01 | C20 | H16 | 71.4° | 70.0° |
| C21 | N01 | C20 | H17 | 47.7° | 50.0° |
| N01 | C21 | H19 | H20 | 116.7° | 119.9° |
| C21 | N01 | C22 | H21 | 149.5° | 178.3° |
| C21 | N01 | C22 | H22 | 92.4° | 58.3° |
| N01 | C21 | C29 | H28 | 164.5° | 179.1° |
| N01 | C21 | C29 | H29 | 75.9° | 60.8° |
| C29 | C21 | H19 | H20 | 116.6° | 120.0° |
| C21 | C29 | H28 | H29 | 119.4° | 120.1° |
| C21 | C29 | C31 | H32 | 57.1° | 62.2° |
| C21 | C29 | C31 | H33 | 178.3° | 177.6° |
| H1 | C02 | C03 | H2 | 0.1° | 0.0° |
| H3 | C05 | C06 | H4 | 0.1° | 0.5° |
| H5 | C09 | C17 | H11 | 93.4° | 80.6° |
| H6 | C11 | C12 | H7 | 0.9° | 0.1° |
| H8 | C14 | C15 | H9 | 0.8° | 0.0° |
| H10 | C16 | C18 | H12 | 52.7° | 80.7° |
| H10 | C16 | C18 | H13 | 70.3° | 43.0° |
| H11 | C17 | C18 | H12 | 140.8° | 0.0° |
| H11 | C17 | C18 | H13 | 17.8° | 123.6° |
| H14 | C19 | C20 | H16 | 142.7° | 65.0° |
| H14 | C19 | C20 | H17 | 98.2° | 175.0° |
| H15 | C19 | C20 | H16 | 22.5° | 55.0° |
| H15 | C19 | C20 | H17 | 141.6° | 65.0° |
| H19 | C21 | C29 | H28 | 74.4° | 59.1° |
| H19 | C21 | C29 | H29 | 45.2° | 179.2° |
| H20 | C21 | C29 | H28 | 43.5° | 60.9° |
| H20 | C21 | C29 | H29 | 163.0° | 59.2° |
| H21 | C22 | C30 | H30 | 70.4° | 59.2° |
| H21 | C22 | C30 | H31 | 49.4° | 60.9° |
| H22 | C22 | C30 | H30 | 47.7° | 179.3° |
| H22 | C22 | C30 | H31 | 167.5° | 59.2° |
| H24 | C24 | C25 | H25 | 0.3° | 0.0° |
| H25 | C25 | C26 | H26 | 0.5° | 0.0° |
| H28 | C29 | C31 | H32 | 63.1° | 57.7° |
| H28 | C29 | C31 | H33 | 58.1° | 62.4° |
| H29 | C29 | C31 | H32 | 177.3° | 177.7° |
| H29 | C29 | C31 | H33 | 61.4° | 57.6° |
| H30 | C30 | C31 | H32 | 65.3° | 177.8° |
| H30 | C30 | C31 | H33 | 55.9° | 57.6° |
| H31 | C30 | C31 | H32 | 175.0° | 57.7° |
| H31 | C30 | C31 | H33 | 63.8° | 62.5° |
