7OR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C39 | doub | 1.38Å | 1.41Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.51Å | 1.55Å | |
| C34 | C35 | doub | 1.38Å | 1.42Å | Aromatic |
| O20 | C12 | sing | 1.36Å | 1.37Å | |
| C33 | O21 | sing | 1.43Å | 1.44Å | |
| C36 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| O44 | C45 | sing | 1.43Å | 1.44Å | |
| O44 | C27 | sing | 1.36Å | 1.40Å | |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| O21 | C17 | sing | 1.36Å | 1.40Å | |
| C27 | C28 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | C09 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | C09 | sing | 1.40Å | 1.41Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C09 | C01 | sing | 1.47Å | 1.44Å | |
| C28 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| O30 | S22 | doub | 1.42Å | 1.42Å | |
| C08 | C05 | sing | 1.47Å | 1.44Å | |
| C08 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.55Å | 1.65Å | |
| C04 | S22 | sing | 1.81Å | 1.79Å | |
| C04 | C06 | sing | 1.56Å | 1.50Å | |
| C01 | C05 | doub | 1.36Å | 1.56Å | |
| C01 | C02 | sing | 1.53Å | 1.42Å | |
| C24 | C29 | sing | 1.39Å | 1.42Å | Aromatic |
| C24 | N23 | sing | 1.40Å | 1.46Å | |
| C03 | C02 | sing | 1.56Å | 1.46Å | |
| C05 | C06 | sing | 1.53Å | 1.44Å | |
| S22 | N23 | sing | 1.66Å | 1.76Å | |
| S22 | O31 | doub | 1.42Å | 1.41Å | |
| C06 | O07 | sing | 1.47Å | 1.41Å | |
| C02 | O07 | sing | 1.47Å | 1.42Å | |
| N23 | C32 | sing | 1.46Å | 1.47Å | |
| C32 | C40 | sing | 1.53Å | 1.59Å | |
| F43 | C40 | sing | 1.40Å | 1.36Å | |
| F41 | C40 | sing | 1.40Å | 1.31Å | |
| C40 | F42 | sing | 1.40Å | 1.32Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.08Å | 1.08Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| O20 | H18 | sing | 0.97Å | 0.95Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.08Å | 1.08Å | |
| C36 | H26 | sing | 1.08Å | 1.08Å | |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C38 | H28 | sing | 1.08Å | 1.08Å | |
| C39 | H29 | sing | 1.08Å | 1.08Å | |
| C45 | H30 | sing | 1.09Å | 1.10Å | |
| C45 | H31 | sing | 1.09Å | 1.10Å | |
| C45 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | C38 | C37 | 120.6° | 120.0° |
| C38 | C39 | C34 | 123.1° | 120.0° |
| C39 | C38 | H28 | 119.7° | 120.0° |
| C38 | C39 | H29 | 118.4° | 120.0° |
| C38 | C37 | C36 | 118.1° | 120.0° |
| C38 | C37 | H27 | 121.0° | 120.0° |
| C37 | C38 | H28 | 119.7° | 120.0° |
| C39 | C34 | C33 | 122.9° | 120.0° |
| C39 | C34 | C35 | 115.1° | 120.0° |
| C34 | C39 | H29 | 118.5° | 120.0° |
| C37 | C36 | C35 | 120.7° | 120.0° |
| C37 | C36 | H26 | 119.7° | 120.1° |
| C36 | C37 | H27 | 121.0° | 120.0° |
| C33 | C34 | C35 | 122.0° | 120.0° |
| C34 | C33 | O21 | 115.4° | 109.5° |
| C34 | C33 | H23 | 107.9° | 109.4° |
| C34 | C33 | H24 | 108.0° | 109.4° |
| C34 | C35 | C36 | 122.5° | 120.0° |
| C34 | C35 | H25 | 118.8° | 120.0° |
| O20 | C12 | C11 | 117.7° | 119.9° |
| O20 | C12 | C13 | 122.8° | 119.9° |
| C12 | O20 | H18 | 109.5° | 114.0° |
| C33 | O21 | C17 | 123.1° | 117.0° |
| O21 | C33 | H23 | 108.0° | 109.5° |
| O21 | C33 | H24 | 107.9° | 109.5° |
| C36 | C35 | H25 | 118.8° | 120.0° |
| C35 | C36 | H26 | 119.6° | 119.9° |
| C45 | O44 | C27 | 121.5° | 117.0° |
| O44 | C45 | H30 | 109.5° | 109.5° |
| O44 | C45 | H31 | 109.5° | 109.4° |
| O44 | C45 | H32 | 109.4° | 109.5° |
| O44 | C27 | C26 | 119.8° | 120.0° |
| O44 | C27 | C28 | 124.5° | 120.0° |
| C11 | C12 | C13 | 119.4° | 120.2° |
| C12 | C11 | C10 | 119.7° | 120.1° |
| C12 | C11 | H13 | 120.1° | 120.0° |
| C12 | C13 | C14 | 119.8° | 120.1° |
| C12 | C13 | H2 | 120.1° | 119.9° |
| C11 | C10 | C09 | 122.6° | 119.9° |
| C11 | C10 | H1 | 118.7° | 120.1° |
| C10 | C11 | H13 | 120.1° | 119.9° |
| C19 | C18 | C17 | 121.9° | 120.2° |
| C18 | C19 | C08 | 120.8° | 119.8° |
| C19 | C18 | H16 | 119.1° | 119.9° |
| C18 | C19 | H17 | 119.6° | 120.1° |
| C18 | C17 | O21 | 124.5° | 119.9° |
| C18 | C17 | C16 | 116.3° | 120.2° |
| C17 | C18 | H16 | 119.1° | 119.9° |
| C13 | C14 | C09 | 121.0° | 119.9° |
| C14 | C13 | H2 | 120.1° | 120.0° |
| C13 | C14 | H14 | 119.5° | 120.0° |
| C27 | C26 | C25 | 122.5° | 120.0° |
| C26 | C27 | C28 | 115.7° | 120.0° |
| C27 | C26 | H4 | 118.7° | 120.0° |
| C26 | C25 | C24 | 123.1° | 120.0° |
| C25 | C26 | H4 | 118.7° | 120.0° |
| C26 | C25 | H19 | 118.5° | 120.0° |
| O21 | C17 | C16 | 119.2° | 119.9° |
| C27 | C28 | C29 | 121.2° | 120.0° |
| C27 | C28 | H5 | 119.4° | 120.0° |
| C10 | C09 | C14 | 117.3° | 119.8° |
| C10 | C09 | C01 | 118.8° | 120.1° |
| C09 | C10 | H1 | 118.7° | 120.1° |
| C19 | C08 | C05 | 124.4° | 120.1° |
| C19 | C08 | C15 | 118.1° | 119.8° |
| C08 | C19 | H17 | 119.6° | 120.0° |
| C17 | C16 | C15 | 121.8° | 120.1° |
| C17 | C16 | H15 | 119.1° | 119.9° |
| C14 | C09 | C01 | 123.8° | 120.1° |
| C09 | C14 | H14 | 119.5° | 120.1° |
| C25 | C24 | C29 | 113.9° | 119.9° |
| C25 | C24 | N23 | 124.5° | 120.1° |
| C24 | C25 | H19 | 118.4° | 120.0° |
| C09 | C01 | C05 | 126.3° | 127.0° |
| C09 | C01 | C02 | 133.0° | 127.0° |
| C28 | C29 | C24 | 123.5° | 120.0° |
| C29 | C28 | H5 | 119.4° | 120.0° |
| C28 | C29 | H20 | 118.2° | 120.1° |
| O30 | S22 | C04 | 105.9° | 110.5° |
| O30 | S22 | N23 | 108.7° | 104.2° |
| O30 | S22 | O31 | 116.8° | 121.1° |
| C05 | C08 | C15 | 117.3° | 120.1° |
| C08 | C05 | C01 | 126.5° | 127.1° |
| C08 | C05 | C06 | 117.5° | 127.0° |
| C08 | C15 | C16 | 121.0° | 119.9° |
| C08 | C15 | H3 | 119.5° | 120.1° |
| C16 | C15 | H3 | 119.5° | 120.0° |
| C15 | C16 | H15 | 119.1° | 120.0° |
| C03 | C04 | S22 | 116.2° | 111.0° |
| C03 | C04 | C06 | 98.5° | 101.9° |
| C04 | C03 | C02 | 96.9° | 102.0° |
| C04 | C03 | H8 | 112.5° | 110.9° |
| C04 | C03 | H9 | 112.5° | 110.9° |
| C03 | C04 | H10 | 111.5° | 111.0° |
| S22 | C04 | C06 | 106.9° | 110.9° |
| C04 | S22 | N23 | 104.8° | 104.4° |
| C04 | S22 | O31 | 109.5° | 110.6° |
| S22 | C04 | H10 | 109.7° | 110.8° |
| C04 | C06 | C05 | 133.3° | 105.1° |
| C04 | C06 | O07 | 100.8° | 101.1° |
| C06 | C04 | H10 | 113.7° | 110.9° |
| C04 | C06 | H12 | 109.1° | 115.6° |
| C05 | C01 | C02 | 99.2° | 106.0° |
| C01 | C05 | C06 | 99.1° | 106.0° |
| C01 | C02 | C03 | 131.7° | 105.1° |
| C01 | C02 | O07 | 99.8° | 100.7° |
| C01 | C02 | H7 | 109.1° | 115.6° |
| C29 | C24 | N23 | 121.5° | 120.0° |
| C24 | C29 | H20 | 118.3° | 120.0° |
| C24 | N23 | S22 | 123.3° | 120.0° |
| C24 | N23 | C32 | 116.7° | 120.0° |
| C03 | C02 | O07 | 95.4° | 101.1° |
| C03 | C02 | H7 | 108.5° | 116.2° |
| C02 | C03 | H8 | 112.5° | 111.0° |
| C02 | C03 | H9 | 112.5° | 110.9° |
| C05 | C06 | O07 | 88.8° | 100.7° |
| C05 | C06 | H12 | 110.0° | 115.7° |
| N23 | S22 | O31 | 110.3° | 104.3° |
| S22 | N23 | C32 | 119.9° | 120.0° |
| C06 | O07 | C02 | 95.1° | 97.0° |
| O07 | C06 | H12 | 110.3° | 116.6° |
| O07 | C02 | H7 | 109.2° | 116.0° |
| N23 | C32 | C40 | 115.2° | 109.5° |
| N23 | C32 | H21 | 108.0° | 109.5° |
| N23 | C32 | H22 | 108.0° | 109.5° |
| C32 | C40 | F43 | 111.0° | 109.5° |
| C32 | C40 | F41 | 113.9° | 109.5° |
| C32 | C40 | F42 | 112.2° | 109.5° |
| C40 | C32 | H21 | 108.0° | 109.5° |
| C40 | C32 | H22 | 108.0° | 109.5° |
| F43 | C40 | F41 | 108.5° | 109.5° |
| F43 | C40 | F42 | 103.8° | 109.5° |
| F41 | C40 | F42 | 106.8° | 109.5° |
| H8 | C03 | H9 | 109.5° | 110.9° |
| H21 | C32 | H22 | 109.5° | 109.5° |
| H23 | C33 | H24 | 109.5° | 109.5° |
| H30 | C45 | H31 | 109.5° | 109.5° |
| H30 | C45 | H32 | 109.5° | 109.5° |
| H31 | C45 | H32 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C39 | C38 | C37 | H28 | 180.0° | 179.3° |
| C38 | C39 | C34 | H29 | 180.0° | 179.4° |
| C39 | C38 | C37 | C36 | 0.3° | 0.4° |
| C38 | C39 | C34 | C33 | 180.0° | 179.6° |
| C38 | C39 | C34 | C35 | 0.3° | 0.6° |
| C39 | C38 | C37 | H27 | 179.7° | 179.7° |
| C37 | C38 | C39 | C34 | 0.3° | 0.6° |
| C38 | C37 | C36 | H27 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 0.2° | 0.0° |
| C38 | C37 | C36 | H26 | 179.8° | 180.0° |
| C37 | C38 | C39 | H29 | 179.6° | 180.0° |
| C39 | C34 | C33 | C35 | 179.7° | 179.8° |
| C39 | C34 | C33 | O21 | 150.3° | 90.2° |
| C39 | C34 | C35 | C36 | 0.2° | 0.2° |
| C39 | C34 | C33 | H23 | 88.9° | 149.8° |
| C39 | C34 | C33 | H24 | 29.4° | 29.7° |
| C39 | C34 | C35 | H25 | 179.9° | 179.7° |
| C34 | C39 | C38 | H28 | 179.6° | 180.0° |
| C37 | C36 | C35 | C34 | 0.1° | 0.0° |
| C37 | C36 | C35 | H26 | 180.0° | 180.0° |
| C37 | C36 | C35 | H25 | 179.9° | 180.0° |
| C36 | C37 | C38 | H28 | 179.7° | 179.7° |
| C34 | C33 | O21 | H23 | 120.9° | 120.0° |
| C34 | C33 | O21 | H24 | 120.9° | 119.9° |
| C33 | C34 | C35 | C36 | 179.9° | 180.0° |
| C34 | C33 | O21 | C17 | 176.5° | 180.0° |
| C34 | C33 | H23 | H24 | 117.3° | 120.0° |
| C33 | C34 | C35 | H25 | 0.1° | 0.0° |
| C33 | C34 | C39 | H29 | 0.0° | 0.3° |
| C35 | C34 | C33 | O21 | 29.5° | 90.0° |
| C34 | C35 | C36 | H25 | 180.0° | 180.0° |
| C35 | C34 | C33 | H23 | 91.4° | 30.0° |
| C35 | C34 | C33 | H24 | 150.3° | 150.1° |
| C34 | C35 | C36 | H26 | 179.9° | 180.0° |
| C35 | C34 | C39 | H29 | 179.7° | 179.9° |
| O20 | C12 | C11 | C13 | 179.4° | 180.0° |
| O20 | C12 | C11 | C10 | 178.8° | 180.0° |
| O20 | C12 | C13 | C14 | 178.7° | 179.7° |
| O20 | C12 | C13 | H2 | 1.3° | 0.3° |
| O20 | C12 | C11 | H13 | 1.3° | 0.1° |
| C33 | O21 | C17 | C18 | 2.9° | 0.0° |
| C33 | O21 | C17 | C16 | 178.1° | 180.0° |
| O21 | C33 | H23 | H24 | 117.3° | 120.1° |
| C35 | C36 | C37 | H27 | 179.8° | 180.0° |
| C45 | O44 | C27 | C26 | 175.8° | 180.0° |
| C45 | O44 | C27 | C28 | 4.3° | 0.2° |
| O44 | C45 | H30 | H31 | 120.0° | 120.0° |
| O44 | C45 | H30 | H32 | 120.0° | 120.1° |
| O44 | C45 | H31 | H32 | 120.0° | 120.0° |
| O44 | C27 | C26 | C28 | 179.9° | 179.7° |
| O44 | C27 | C26 | C25 | 179.6° | 180.0° |
| O44 | C27 | C28 | C29 | 180.0° | 179.7° |
| O44 | C27 | C26 | H4 | 0.5° | 0.2° |
| O44 | C27 | C28 | H5 | 0.0° | 0.3° |
| C27 | O44 | C45 | H30 | 180.0° | 180.0° |
| C27 | O44 | C45 | H31 | 60.0° | 60.0° |
| C27 | O44 | C45 | H32 | 60.0° | 59.9° |
| C12 | C11 | C10 | H13 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.7° | 0.3° |
| C12 | C11 | C10 | C09 | 1.5° | 0.1° |
| C12 | C11 | C10 | H1 | 178.5° | 179.7° |
| C11 | C12 | C13 | H2 | 179.3° | 179.8° |
| C11 | C12 | O20 | H18 | 180.0° | 90.0° |
| C13 | C12 | C11 | C10 | 0.7° | 0.1° |
| C12 | C13 | C14 | H2 | 180.0° | 179.5° |
| C12 | C13 | C14 | C09 | 1.6° | 0.6° |
| C13 | C12 | C11 | H13 | 179.3° | 180.0° |
| C12 | C13 | C14 | H14 | 178.5° | 180.0° |
| C13 | C12 | O20 | H18 | 0.6° | 90.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | C14 | 2.2° | 0.3° |
| C11 | C10 | C09 | C01 | 178.4° | 179.6° |
| C19 | C18 | C17 | H16 | 180.0° | 179.6° |
| C19 | C18 | C17 | O21 | 179.9° | 179.7° |
| C18 | C19 | C08 | H17 | 180.0° | 179.8° |
| C19 | C18 | C17 | C16 | 0.8° | 0.4° |
| C18 | C19 | C08 | C05 | 178.3° | 179.9° |
| C18 | C19 | C08 | C15 | 2.3° | 0.0° |
| C18 | C17 | O21 | C16 | 179.0° | 179.9° |
| C17 | C18 | C19 | C08 | 0.9° | 0.3° |
| C18 | C17 | C16 | C15 | 1.1° | 0.1° |
| C18 | C17 | C16 | H15 | 179.0° | 180.0° |
| C17 | C18 | C19 | H17 | 179.1° | 179.9° |
| C13 | C14 | C09 | C10 | 2.3° | 0.6° |
| C13 | C14 | C09 | H14 | 180.0° | 179.4° |
| C13 | C14 | C09 | C01 | 178.2° | 179.4° |
| C27 | C26 | C25 | H4 | 180.0° | 179.8° |
| C27 | C26 | C25 | C24 | 0.3° | 0.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.5° |
| C26 | C27 | C28 | H5 | 179.9° | 180.0° |
| C27 | C26 | C25 | H19 | 179.7° | 180.0° |
| C25 | C26 | C27 | C28 | 0.3° | 0.2° |
| C26 | C25 | C24 | H19 | 180.0° | 180.0° |
| C26 | C25 | C24 | C29 | 0.2° | 0.0° |
| C26 | C25 | C24 | N23 | 179.1° | 179.7° |
| O21 | C17 | C16 | C15 | 179.8° | 180.0° |
| O21 | C17 | C16 | H15 | 0.2° | 0.0° |
| O21 | C17 | C18 | H16 | 0.1° | 0.0° |
| C17 | O21 | C33 | H23 | 62.6° | 60.0° |
| C17 | O21 | C33 | H24 | 55.7° | 60.1° |
| C27 | C28 | C29 | H5 | 180.0° | 179.5° |
| C27 | C28 | C29 | C24 | 0.6° | 0.6° |
| C28 | C27 | C26 | H4 | 179.7° | 179.9° |
| C27 | C28 | C29 | H20 | 179.4° | 179.5° |
| C10 | C09 | C14 | C01 | 175.9° | 180.0° |
| C10 | C09 | C01 | C05 | 146.3° | 64.9° |
| C10 | C09 | C01 | C02 | 16.3° | 114.7° |
| C09 | C10 | C11 | H13 | 178.5° | 180.0° |
| C10 | C09 | C14 | H14 | 177.8° | 180.0° |
| C19 | C08 | C05 | C15 | 176.0° | 179.9° |
| C19 | C08 | C15 | C16 | 2.1° | 0.3° |
| C19 | C08 | C05 | C01 | 40.3° | 115.0° |
| C19 | C08 | C05 | C06 | 87.0° | 65.1° |
| C19 | C08 | C15 | H3 | 177.9° | 180.0° |
| C08 | C19 | C18 | H16 | 179.1° | 180.0° |
| C17 | C16 | C15 | C08 | 0.4° | 0.2° |
| C17 | C16 | C15 | H15 | 180.0° | 179.9° |
| C17 | C16 | C15 | H3 | 179.6° | 180.0° |
| C16 | C17 | C18 | H16 | 179.2° | 180.0° |
| C14 | C09 | C01 | C05 | 37.8° | 115.1° |
| C14 | C09 | C01 | C02 | 159.6° | 65.3° |
| C14 | C09 | C10 | H1 | 177.8° | 180.0° |
| C09 | C14 | C13 | H2 | 178.4° | 180.0° |
| C25 | C24 | C29 | C28 | 0.6° | 0.3° |
| C25 | C24 | C29 | N23 | 178.9° | 179.7° |
| C25 | C24 | N23 | S22 | 44.9° | 60.7° |
| C25 | C24 | N23 | C32 | 137.8° | 119.2° |
| C24 | C25 | C26 | H4 | 179.7° | 179.8° |
| C25 | C24 | C29 | H20 | 179.4° | 179.8° |
| C09 | C01 | C05 | C08 | 10.7° | 0.3° |
| C09 | C01 | C05 | C02 | 167.2° | 179.7° |
| C09 | C01 | C02 | C03 | 81.5° | 107.7° |
| C09 | C01 | C05 | C06 | 145.1° | 179.7° |
| C09 | C01 | C02 | O07 | 172.2° | 147.6° |
| C01 | C09 | C10 | H1 | 1.7° | 0.0° |
| C09 | C01 | C02 | H7 | 57.8° | 21.8° |
| C01 | C09 | C14 | H14 | 1.8° | 0.0° |
| C28 | C29 | C24 | H20 | 180.0° | 180.0° |
| C28 | C29 | C24 | N23 | 179.6° | 180.0° |
| O30 | S22 | C04 | C03 | 99.8° | 50.1° |
| O30 | S22 | C04 | N23 | 114.9° | 111.6° |
| O30 | S22 | C04 | O31 | 126.8° | 136.8° |
| O30 | S22 | C04 | C06 | 151.5° | 62.5° |
| O30 | S22 | N23 | C24 | 46.4° | 20.1° |
| O30 | S22 | N23 | O31 | 129.3° | 127.9° |
| O30 | S22 | N23 | C32 | 136.4° | 159.8° |
| O30 | S22 | C04 | H10 | 27.9° | 173.8° |
| C05 | C08 | C15 | C16 | 178.4° | 179.7° |
| C08 | C05 | C06 | C04 | 92.4° | 107.5° |
| C08 | C05 | C01 | C06 | 134.4° | 180.0° |
| C08 | C05 | C01 | C02 | 156.5° | 180.0° |
| C08 | C05 | C06 | O07 | 163.9° | 147.9° |
| C05 | C08 | C15 | H3 | 1.6° | 0.1° |
| C08 | C05 | C06 | H12 | 52.7° | 21.3° |
| C05 | C08 | C19 | H17 | 1.7° | 0.3° |
| C08 | C15 | C16 | H3 | 180.0° | 179.7° |
| C15 | C08 | C05 | C01 | 143.7° | 64.9° |
| C15 | C08 | C05 | C06 | 89.0° | 115.0° |
| C08 | C15 | C16 | H15 | 179.6° | 179.7° |
| C15 | C08 | C19 | H17 | 177.6° | 179.8° |
| C03 | C04 | S22 | C06 | 108.7° | 112.5° |
| C03 | C04 | S22 | H10 | 127.6° | 123.8° |
| C03 | C04 | C06 | H10 | 118.0° | 118.2° |
| C04 | C03 | C02 | C01 | 56.1° | 69.7° |
| C04 | C03 | C02 | H8 | 117.9° | 118.2° |
| C04 | C03 | C02 | H9 | 117.9° | 118.1° |
| C03 | C04 | C06 | C05 | 73.2° | 69.6° |
| C03 | C04 | S22 | N23 | 145.3° | 61.5° |
| C03 | C04 | S22 | O31 | 27.0° | 173.1° |
| C03 | C04 | C06 | O07 | 25.5° | 34.8° |
| C04 | C03 | C02 | O07 | 52.1° | 34.7° |
| C04 | C03 | C02 | H7 | 164.3° | 161.1° |
| C04 | C03 | H8 | H9 | 125.9° | 123.7° |
| C03 | C04 | C06 | H12 | 141.5° | 161.6° |
| S22 | C04 | C06 | H10 | 121.2° | 123.6° |
| C04 | S22 | N23 | C24 | 66.5° | 95.9° |
| S22 | C04 | C03 | C02 | 129.8° | 118.1° |
| S22 | C04 | C06 | C05 | 166.0° | 172.2° |
| C04 | S22 | N23 | O31 | 117.8° | 116.1° |
| S22 | C04 | C06 | O07 | 95.3° | 83.4° |
| C04 | S22 | N23 | C32 | 110.7° | 84.1° |
| S22 | C04 | C03 | H8 | 11.9° | 123.7° |
| S22 | C04 | C03 | H9 | 112.3° | 0.0° |
| S22 | C04 | C06 | H12 | 20.7° | 43.4° |
| C04 | C06 | C05 | C01 | 47.3° | 72.5° |
| C06 | C04 | C03 | C02 | 16.2° | 0.0° |
| C04 | C06 | C05 | O07 | 103.7° | 104.7° |
| C04 | C06 | C05 | H12 | 145.1° | 128.7° |
| C06 | C04 | S22 | N23 | 36.6° | 174.0° |
| C06 | C04 | S22 | O31 | 81.7° | 74.4° |
| C04 | C06 | O07 | H12 | 115.2° | 126.1° |
| C04 | C06 | O07 | C02 | 60.7° | 57.3° |
| C06 | C04 | C03 | H8 | 101.7° | 118.2° |
| C06 | C04 | C03 | H9 | 134.1° | 118.1° |
| C05 | C01 | C02 | C03 | 84.4° | 72.6° |
| C01 | C05 | C06 | O07 | 56.4° | 32.2° |
| C05 | C01 | C02 | O07 | 21.9° | 32.1° |
| C05 | C01 | C02 | H7 | 136.3° | 157.9° |
| C01 | C05 | C06 | H12 | 167.6° | 158.8° |
| C01 | C02 | C03 | O07 | 108.2° | 104.4° |
| C01 | C02 | C03 | H7 | 139.5° | 129.2° |
| C02 | C01 | C05 | C06 | 22.1° | 0.0° |
| C01 | C02 | O07 | C06 | 61.2° | 50.5° |
| C01 | C02 | O07 | H7 | 114.3° | 125.5° |
| C01 | C02 | C03 | H8 | 174.0° | 48.5° |
| C01 | C02 | C03 | H9 | 61.8° | 172.2° |
| C29 | C24 | N23 | S22 | 133.9° | 119.5° |
| C29 | C24 | N23 | C32 | 43.4° | 60.5° |
| C24 | C29 | C28 | H5 | 179.4° | 180.0° |
| C29 | C24 | C25 | H19 | 179.8° | 180.0° |
| C24 | N23 | S22 | C32 | 177.2° | 180.0° |
| C24 | N23 | S22 | O31 | 175.7° | 148.0° |
| C24 | N23 | C32 | C40 | 86.6° | 82.1° |
| N23 | C24 | C25 | H19 | 0.9° | 0.3° |
| N23 | C24 | C29 | H20 | 0.5° | 0.0° |
| C24 | N23 | C32 | H21 | 152.5° | 157.9° |
| C24 | N23 | C32 | H22 | 34.2° | 37.9° |
| C03 | C02 | O07 | C06 | 72.7° | 57.3° |
| C03 | C02 | O07 | H7 | 111.7° | 126.6° |
| C02 | C03 | H8 | H9 | 125.9° | 123.7° |
| C02 | C03 | C04 | H10 | 103.5° | 118.2° |
| C05 | C06 | O07 | H12 | 110.9° | 126.0° |
| C05 | C06 | O07 | C02 | 73.3° | 50.6° |
| C05 | C06 | C04 | H10 | 44.8° | 48.6° |
| S22 | N23 | C32 | C40 | 96.0° | 97.8° |
| N23 | S22 | C04 | H10 | 87.0° | 62.3° |
| S22 | N23 | C32 | H21 | 24.8° | 22.2° |
| S22 | N23 | C32 | H22 | 143.2° | 142.2° |
| O31 | S22 | N23 | C32 | 7.1° | 31.9° |
| O31 | S22 | C04 | H10 | 154.7° | 49.3° |
| C06 | O07 | C02 | H7 | 175.5° | 176.1° |
| O07 | C06 | C04 | H10 | 143.5° | 153.0° |
| O07 | C02 | C03 | H8 | 65.8° | 152.9° |
| O07 | C02 | C03 | H9 | 169.9° | 83.4° |
| C02 | O07 | C06 | H12 | 175.9° | 176.5° |
| N23 | C32 | C40 | H21 | 120.8° | 120.0° |
| N23 | C32 | C40 | H22 | 120.8° | 120.0° |
| N23 | C32 | C40 | F43 | 43.4° | 175.9° |
| N23 | C32 | C40 | F41 | 79.5° | 55.8° |
| N23 | C32 | C40 | F42 | 159.0° | 64.2° |
| N23 | C32 | H21 | H22 | 117.4° | 120.0° |
| C32 | C40 | F43 | F41 | 126.0° | 120.0° |
| C32 | C40 | F43 | F42 | 120.7° | 120.0° |
| C32 | C40 | F41 | F42 | 124.4° | 120.0° |
| C40 | C32 | H21 | H22 | 117.4° | 120.0° |
| F43 | C40 | F41 | F42 | 111.3° | 120.0° |
| F43 | C40 | C32 | H21 | 77.5° | 64.1° |
| F43 | C40 | C32 | H22 | 164.2° | 55.9° |
| F41 | C40 | C32 | H21 | 159.6° | 175.9° |
| F41 | C40 | C32 | H22 | 41.3° | 64.1° |
| F42 | C40 | C32 | H21 | 38.1° | 55.8° |
| F42 | C40 | C32 | H22 | 80.2° | 175.9° |
| H1 | C10 | C11 | H13 | 1.5° | 0.3° |
| H2 | C13 | C14 | H14 | 1.6° | 0.5° |
| H3 | C15 | C16 | H15 | 0.4° | 0.0° |
| H4 | C26 | C25 | H19 | 0.3° | 0.2° |
| H5 | C28 | C29 | H20 | 0.6° | 0.0° |
| H7 | C02 | C03 | H8 | 46.4° | 80.7° |
| H7 | C02 | C03 | H9 | 77.8° | 43.0° |
| H8 | C03 | C04 | H10 | 138.7° | 0.0° |
| H9 | C03 | C04 | H10 | 14.4° | 123.7° |
| H10 | C04 | C06 | H12 | 100.5° | 80.2° |
| H16 | C18 | C19 | H17 | 0.9° | 0.3° |
| H25 | C35 | C36 | H26 | 0.1° | 0.0° |
| H26 | C36 | C37 | H27 | 0.2° | 0.0° |
| H27 | C37 | C38 | H28 | 0.3° | 0.3° |
| H28 | C38 | C39 | H29 | 0.4° | 0.7° |
| H30 | C45 | H31 | H32 | 120.0° | 120.1° |
