7I5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C17 | sing | 1.36Å | 1.34Å | |
| C17 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.44Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.45Å | Aromatic |
| C15 | C08 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C08 | sing | 1.40Å | 1.47Å | Aromatic |
| C14 | C09 | sing | 1.40Å | 1.47Å | Aromatic |
| O21 | C12 | sing | 1.36Å | 1.36Å | |
| C08 | C05 | sing | 1.47Å | 1.50Å | |
| C12 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.57Å | |
| C05 | C01 | doub | 1.36Å | 1.35Å | |
| C06 | C04 | sing | 1.56Å | 1.56Å | |
| C06 | O07 | sing | 1.48Å | 1.45Å | |
| C09 | C01 | sing | 1.47Å | 1.56Å | |
| C09 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C04 | C03 | sing | 1.55Å | 1.53Å | |
| C01 | C02 | sing | 1.53Å | 1.59Å | |
| C11 | C10 | sing | 1.38Å | 1.44Å | Aromatic |
| C03 | C02 | sing | 1.56Å | 1.51Å | |
| C03 | S32 | sing | 1.81Å | 1.83Å | |
| O07 | C02 | sing | 1.47Å | 1.51Å | |
| O34 | S32 | doub | 1.42Å | 1.43Å | |
| S32 | O33 | doub | 1.42Å | 1.44Å | |
| S32 | N22 | sing | 1.66Å | 1.69Å | |
| F36 | C35 | sing | 1.40Å | 1.37Å | |
| N22 | C24 | sing | 1.46Å | 1.45Å | |
| N22 | C23 | sing | 1.39Å | 1.53Å | |
| C24 | C35 | sing | 1.53Å | 1.51Å | |
| C35 | F38 | sing | 1.40Å | 1.38Å | |
| C35 | F37 | sing | 1.40Å | 1.33Å | |
| C23 | C29 | doub | 1.39Å | 1.44Å | Aromatic |
| C23 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| C29 | C28 | sing | 1.37Å | 1.47Å | Aromatic |
| C25 | C26 | doub | 1.37Å | 1.43Å | Aromatic |
| C28 | C27 | doub | 1.40Å | 1.48Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.41Å | Aromatic |
| C27 | C30 | sing | 1.47Å | 1.62Å | |
| C30 | C31 | doub | 1.35Å | 1.33Å | |
| C31 | C39 | sing | 1.42Å | 1.61Å | |
| C39 | O40 | doub | 1.22Å | 1.26Å | |
| C39 | O41 | sing | 1.35Å | 1.25Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | H24 | sing | 1.08Å | 1.08Å | |
| C31 | H25 | sing | 1.08Å | 1.08Å | |
| O41 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C17 | C16 | 119.3° | 119.9° |
| O20 | C17 | C18 | 121.1° | 119.9° |
| C17 | O20 | H20 | 109.5° | 114.0° |
| C16 | C17 | C18 | 119.5° | 120.2° |
| C17 | C16 | C15 | 122.8° | 120.1° |
| C17 | C16 | H17 | 118.6° | 119.9° |
| C17 | C18 | C19 | 118.1° | 120.1° |
| C17 | C18 | H18 | 120.9° | 120.0° |
| C16 | C15 | C08 | 120.1° | 119.9° |
| C16 | C15 | H3 | 120.0° | 120.0° |
| C15 | C16 | H17 | 118.6° | 120.0° |
| C18 | C19 | C08 | 121.9° | 119.9° |
| C19 | C18 | H18 | 120.9° | 119.9° |
| C18 | C19 | H19 | 119.1° | 120.1° |
| C14 | C13 | C12 | 117.9° | 120.1° |
| C13 | C14 | C09 | 123.2° | 119.9° |
| C14 | C13 | H2 | 121.0° | 119.9° |
| C13 | C14 | H16 | 118.4° | 120.0° |
| C13 | C12 | O21 | 119.1° | 119.9° |
| C13 | C12 | C11 | 119.6° | 120.2° |
| C12 | C13 | H2 | 121.0° | 120.0° |
| C15 | C08 | C19 | 117.7° | 119.8° |
| C15 | C08 | C05 | 126.0° | 120.1° |
| C08 | C15 | H3 | 120.0° | 120.1° |
| C19 | C08 | C05 | 116.3° | 120.1° |
| C08 | C19 | H19 | 119.1° | 120.0° |
| C14 | C09 | C01 | 114.9° | 120.1° |
| C14 | C09 | C10 | 116.5° | 119.8° |
| C09 | C14 | H16 | 118.4° | 120.1° |
| O21 | C12 | C11 | 121.3° | 119.9° |
| C12 | O21 | H21 | 109.5° | 114.0° |
| C08 | C05 | C06 | 119.1° | 127.1° |
| C08 | C05 | C01 | 133.1° | 127.0° |
| C12 | C11 | C10 | 121.3° | 120.1° |
| C12 | C11 | H15 | 119.4° | 119.9° |
| C06 | C05 | C01 | 103.7° | 105.9° |
| C05 | C06 | C04 | 114.0° | 105.8° |
| C05 | C06 | O07 | 98.8° | 100.0° |
| C05 | C06 | H14 | 114.6° | 115.6° |
| C05 | C01 | C09 | 130.0° | 127.0° |
| C05 | C01 | C02 | 105.5° | 106.0° |
| C04 | C06 | O07 | 95.4° | 101.5° |
| C06 | C04 | C03 | 104.9° | 101.9° |
| C06 | C04 | H11 | 110.6° | 110.9° |
| C06 | C04 | H12 | 110.6° | 110.9° |
| C04 | C06 | H14 | 114.7° | 116.0° |
| C06 | O07 | C02 | 96.9° | 96.4° |
| O07 | C06 | H14 | 116.9° | 115.9° |
| C01 | C09 | C10 | 128.6° | 120.1° |
| C09 | C01 | C02 | 123.0° | 127.1° |
| C09 | C10 | C11 | 121.4° | 119.9° |
| C09 | C10 | H1 | 119.3° | 120.1° |
| C04 | C03 | C02 | 100.5° | 102.0° |
| C04 | C03 | S32 | 114.1° | 110.9° |
| C04 | C03 | H10 | 110.5° | 111.0° |
| C03 | C04 | H11 | 110.6° | 111.0° |
| C03 | C04 | H12 | 110.6° | 110.9° |
| C01 | C02 | C03 | 106.1° | 105.1° |
| C01 | C02 | O07 | 101.8° | 100.7° |
| C01 | C02 | H9 | 115.1° | 115.6° |
| C11 | C10 | H1 | 119.3° | 120.0° |
| C10 | C11 | H15 | 119.3° | 120.0° |
| C02 | C03 | S32 | 113.6° | 110.9° |
| C03 | C02 | O07 | 98.4° | 101.8° |
| C03 | C02 | H9 | 116.6° | 115.6° |
| C02 | C03 | H10 | 110.9° | 111.0° |
| C03 | S32 | O34 | 103.4° | 110.5° |
| C03 | S32 | O33 | 102.9° | 110.6° |
| C03 | S32 | N22 | 118.1° | 104.4° |
| S32 | C03 | H10 | 107.1° | 110.8° |
| O07 | C02 | H9 | 116.6° | 115.9° |
| O34 | S32 | O33 | 113.2° | 121.0° |
| O34 | S32 | N22 | 112.3° | 104.2° |
| O33 | S32 | N22 | 106.8° | 104.3° |
| S32 | N22 | C24 | 117.8° | 120.0° |
| S32 | N22 | C23 | 120.0° | 120.0° |
| F36 | C35 | C24 | 110.2° | 109.5° |
| F36 | C35 | F38 | 103.6° | 109.5° |
| F36 | C35 | F37 | 105.2° | 109.4° |
| C24 | N22 | C23 | 120.7° | 120.0° |
| N22 | C24 | C35 | 114.0° | 109.5° |
| N22 | C24 | H4 | 108.3° | 109.5° |
| N22 | C24 | H5 | 108.3° | 109.5° |
| N22 | C23 | C29 | 125.3° | 119.9° |
| N22 | C23 | C25 | 115.4° | 120.0° |
| C24 | C35 | F38 | 117.7° | 109.5° |
| C24 | C35 | F37 | 114.6° | 109.5° |
| C35 | C24 | H4 | 108.3° | 109.5° |
| C35 | C24 | H5 | 108.3° | 109.5° |
| F38 | C35 | F37 | 104.2° | 109.5° |
| C29 | C23 | C25 | 119.1° | 120.1° |
| C23 | C29 | C28 | 119.3° | 120.1° |
| C23 | C29 | H23 | 120.4° | 119.9° |
| C23 | C25 | C26 | 121.7° | 120.1° |
| C23 | C25 | H22 | 119.1° | 119.9° |
| C29 | C28 | C27 | 120.5° | 119.8° |
| C29 | C28 | H7 | 119.8° | 120.1° |
| C28 | C29 | H23 | 120.4° | 119.9° |
| C25 | C26 | C27 | 121.9° | 119.9° |
| C25 | C26 | H6 | 119.0° | 120.1° |
| C26 | C25 | H22 | 119.2° | 120.0° |
| C28 | C27 | C26 | 117.5° | 119.8° |
| C28 | C27 | C30 | 125.2° | 120.0° |
| C27 | C28 | H7 | 119.8° | 120.1° |
| C26 | C27 | C30 | 117.3° | 120.1° |
| C27 | C26 | H6 | 119.1° | 120.0° |
| C27 | C30 | C31 | 127.7° | 120.0° |
| C27 | C30 | H24 | 116.1° | 120.0° |
| C30 | C31 | C39 | 127.1° | 120.0° |
| C31 | C30 | H24 | 116.1° | 120.0° |
| C30 | C31 | H25 | 116.4° | 120.0° |
| C31 | C39 | O40 | 117.8° | 120.0° |
| C31 | C39 | O41 | 116.8° | 120.0° |
| C39 | C31 | H25 | 116.5° | 120.0° |
| O40 | C39 | O41 | 125.4° | 120.0° |
| C39 | O41 | H26 | 109.5° | 114.0° |
| H4 | C24 | H5 | 109.5° | 109.4° |
| H11 | C04 | H12 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C17 | C16 | C18 | 176.5° | 179.4° |
| O20 | C17 | C16 | C15 | 178.1° | 180.0° |
| O20 | C17 | C18 | C19 | 177.8° | 179.7° |
| O20 | C17 | C16 | H17 | 1.9° | 0.0° |
| O20 | C17 | C18 | H18 | 2.2° | 0.5° |
| C17 | C16 | C15 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 1.3° | 0.8° |
| C17 | C16 | C15 | C08 | 0.7° | 0.0° |
| C17 | C16 | C15 | H3 | 179.3° | 179.7° |
| C16 | C17 | C18 | H18 | 178.7° | 180.0° |
| C16 | C17 | O20 | H20 | 180.0° | 90.0° |
| C18 | C17 | C16 | C15 | 1.5° | 0.6° |
| C17 | C18 | C19 | H18 | 180.0° | 179.2° |
| C17 | C18 | C19 | C08 | 0.3° | 0.5° |
| C18 | C17 | C16 | H17 | 178.5° | 179.4° |
| C17 | C18 | C19 | H19 | 179.8° | 179.9° |
| C18 | C17 | O20 | H20 | 3.5° | 89.4° |
| C16 | C15 | C08 | H3 | 180.0° | 179.6° |
| C16 | C15 | C08 | C19 | 0.3° | 0.4° |
| C16 | C15 | C08 | C05 | 179.9° | 179.7° |
| C18 | C19 | C08 | C15 | 0.5° | 0.1° |
| C18 | C19 | C08 | H19 | 180.0° | 179.6° |
| C18 | C19 | C08 | C05 | 179.8° | 180.0° |
| C14 | C13 | C12 | H2 | 180.0° | 179.7° |
| C13 | C14 | C09 | H16 | 180.0° | 179.7° |
| C14 | C13 | C12 | O21 | 178.7° | 180.0° |
| C14 | C13 | C12 | C11 | 0.8° | 0.3° |
| C13 | C14 | C09 | C01 | 178.2° | 180.0° |
| C13 | C14 | C09 | C10 | 1.2° | 0.0° |
| C12 | C13 | C14 | C09 | 0.6° | 0.3° |
| C13 | C12 | O21 | C11 | 179.5° | 179.7° |
| C13 | C12 | C11 | C10 | 1.6° | 0.1° |
| C13 | C12 | C11 | H15 | 178.4° | 180.0° |
| C12 | C13 | C14 | H16 | 179.4° | 180.0° |
| C13 | C12 | O21 | H21 | 180.0° | 90.0° |
| C15 | C08 | C19 | C05 | 179.6° | 179.9° |
| C15 | C08 | C05 | C06 | 12.0° | 115.0° |
| C15 | C08 | C05 | C01 | 165.1° | 66.3° |
| C08 | C15 | C16 | H17 | 179.3° | 180.0° |
| C15 | C08 | C19 | H19 | 179.4° | 179.5° |
| C19 | C08 | C05 | C06 | 167.6° | 64.9° |
| C19 | C08 | C05 | C01 | 14.5° | 113.8° |
| C19 | C08 | C15 | H3 | 179.6° | 180.0° |
| C08 | C19 | C18 | H18 | 179.7° | 179.7° |
| C14 | C09 | C01 | C05 | 23.7° | 115.3° |
| C14 | C09 | C01 | C10 | 176.5° | 180.0° |
| C14 | C09 | C01 | C02 | 140.1° | 65.0° |
| C14 | C09 | C10 | C11 | 2.0° | 0.2° |
| C14 | C09 | C10 | H1 | 178.0° | 180.0° |
| C09 | C14 | C13 | H2 | 179.4° | 180.0° |
| O21 | C12 | C11 | C10 | 177.9° | 179.8° |
| O21 | C12 | C13 | H2 | 1.3° | 0.3° |
| O21 | C12 | C11 | H15 | 2.1° | 0.3° |
| C08 | C05 | C06 | C01 | 160.1° | 179.0° |
| C08 | C05 | C06 | C04 | 148.9° | 107.5° |
| C08 | C05 | C06 | O07 | 111.1° | 147.5° |
| C08 | C05 | C01 | C09 | 57.2° | 0.3° |
| C08 | C05 | C01 | C02 | 136.9° | 179.9° |
| C05 | C08 | C15 | H3 | 0.0° | 0.1° |
| C08 | C05 | C06 | H14 | 13.8° | 22.3° |
| C05 | C08 | C19 | H19 | 0.2° | 0.4° |
| C12 | C11 | C10 | C09 | 2.3° | 0.2° |
| C12 | C11 | C10 | H15 | 180.0° | 179.9° |
| C12 | C11 | C10 | H1 | 177.7° | 180.0° |
| C11 | C12 | C13 | H2 | 179.2° | 180.0° |
| C11 | C12 | O21 | H21 | 0.5° | 90.3° |
| C05 | C06 | C04 | O07 | 102.1° | 104.0° |
| C05 | C06 | C04 | H14 | 135.0° | 129.6° |
| C05 | C06 | O07 | H14 | 123.4° | 125.0° |
| C06 | C05 | C01 | C09 | 146.9° | 178.7° |
| C05 | C06 | C04 | C03 | 65.8° | 69.4° |
| C06 | C05 | C01 | C02 | 19.1° | 1.1° |
| C05 | C06 | O07 | C02 | 55.5° | 51.7° |
| C05 | C06 | C04 | H11 | 53.4° | 172.4° |
| C05 | C06 | C04 | H12 | 174.9° | 48.7° |
| C01 | C05 | C06 | C04 | 51.0° | 71.5° |
| C01 | C05 | C06 | O07 | 49.0° | 33.5° |
| C05 | C01 | C09 | C02 | 163.8° | 179.7° |
| C05 | C01 | C09 | C10 | 152.8° | 64.7° |
| C05 | C01 | C02 | C03 | 87.7° | 73.3° |
| C05 | C01 | C02 | O07 | 14.8° | 32.1° |
| C05 | C01 | C02 | H9 | 141.8° | 157.9° |
| C01 | C05 | C06 | H14 | 174.0° | 158.7° |
| C04 | C06 | O07 | H14 | 121.3° | 126.5° |
| C06 | C04 | C03 | H11 | 119.2° | 118.2° |
| C06 | C04 | C03 | H12 | 119.3° | 118.1° |
| C06 | C04 | C03 | C02 | 1.6° | 0.0° |
| C06 | C04 | C03 | S32 | 120.4° | 118.2° |
| C04 | C06 | O07 | C02 | 59.8° | 56.8° |
| C06 | C04 | C03 | H10 | 118.9° | 118.2° |
| C06 | C04 | H11 | H12 | 122.1° | 123.7° |
| O07 | C06 | C04 | C03 | 36.3° | 34.6° |
| C06 | O07 | C02 | C01 | 44.5° | 51.2° |
| C06 | O07 | C02 | C03 | 64.0° | 56.9° |
| C06 | O07 | C02 | H9 | 170.5° | 176.8° |
| O07 | C06 | C04 | H11 | 155.6° | 83.6° |
| O07 | C06 | C04 | H12 | 83.0° | 152.7° |
| C01 | C09 | C10 | C11 | 178.5° | 179.8° |
| C09 | C01 | C02 | C03 | 79.5° | 106.5° |
| C09 | C01 | C02 | O07 | 178.0° | 148.1° |
| C01 | C09 | C10 | H1 | 1.5° | 0.0° |
| C09 | C01 | C02 | H9 | 51.0° | 22.3° |
| C01 | C09 | C14 | H16 | 1.9° | 0.3° |
| C10 | C09 | C01 | C02 | 43.4° | 115.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C09 | C10 | C11 | H15 | 177.7° | 179.7° |
| C10 | C09 | C14 | H16 | 178.8° | 179.7° |
| C04 | C03 | C02 | C01 | 67.4° | 69.7° |
| C04 | C03 | C02 | S32 | 122.3° | 118.1° |
| C04 | C03 | C02 | H10 | 116.9° | 118.2° |
| C04 | C03 | S32 | H10 | 122.6° | 123.7° |
| C04 | C03 | C02 | O07 | 37.5° | 35.0° |
| C04 | C03 | S32 | O34 | 24.6° | 174.0° |
| C04 | C03 | S32 | O33 | 142.6° | 49.2° |
| C04 | C03 | S32 | N22 | 100.1° | 62.5° |
| C04 | C03 | C02 | H9 | 162.9° | 161.5° |
| C03 | C04 | H11 | H12 | 122.2° | 123.7° |
| C03 | C04 | C06 | H14 | 159.2° | 161.0° |
| C01 | C02 | C03 | O07 | 104.9° | 104.6° |
| C01 | C02 | C03 | H9 | 129.6° | 128.8° |
| C01 | C02 | C03 | S32 | 170.2° | 172.2° |
| C01 | C02 | O07 | H9 | 126.1° | 125.5° |
| C01 | C02 | C03 | H10 | 49.5° | 48.6° |
| C02 | C03 | S32 | H10 | 122.9° | 123.7° |
| C03 | C02 | O07 | H9 | 125.5° | 126.4° |
| C02 | C03 | S32 | O34 | 139.1° | 73.4° |
| C02 | C03 | S32 | O33 | 102.9° | 63.4° |
| C02 | C03 | S32 | N22 | 14.3° | 175.0° |
| C02 | C03 | C04 | H11 | 117.6° | 118.1° |
| C02 | C03 | C04 | H12 | 120.9° | 118.2° |
| S32 | C03 | C02 | O07 | 84.9° | 83.2° |
| C03 | S32 | O34 | O33 | 110.6° | 131.6° |
| C03 | S32 | O34 | N22 | 128.3° | 111.7° |
| C03 | S32 | O33 | N22 | 125.0° | 111.7° |
| C03 | S32 | N22 | C24 | 105.4° | 96.4° |
| C03 | S32 | N22 | C23 | 88.3° | 83.6° |
| S32 | C03 | C02 | H9 | 40.6° | 43.4° |
| S32 | C03 | C04 | H11 | 120.4° | 0.0° |
| S32 | C03 | C04 | H12 | 1.1° | 123.7° |
| O07 | C02 | C03 | H10 | 154.4° | 153.2° |
| C02 | O07 | C06 | H14 | 178.9° | 176.7° |
| O34 | S32 | O33 | N22 | 124.1° | 116.7° |
| O34 | S32 | N22 | C24 | 14.8° | 147.6° |
| O34 | S32 | N22 | C23 | 151.5° | 32.5° |
| O34 | S32 | C03 | H10 | 98.0° | 50.3° |
| O33 | S32 | N22 | C24 | 139.4° | 19.7° |
| O33 | S32 | N22 | C23 | 26.9° | 160.3° |
| O33 | S32 | C03 | H10 | 20.0° | 172.9° |
| S32 | N22 | C24 | C23 | 166.2° | 180.0° |
| S32 | N22 | C24 | C35 | 125.2° | 95.0° |
| S32 | N22 | C23 | C29 | 87.9° | 60.8° |
| S32 | N22 | C23 | C25 | 86.7° | 120.0° |
| S32 | N22 | C24 | H4 | 114.2° | 25.0° |
| S32 | N22 | C24 | H5 | 4.5° | 144.9° |
| N22 | S32 | C03 | H10 | 137.2° | 61.3° |
| F36 | C35 | C24 | N22 | 68.4° | 180.0° |
| F36 | C35 | C24 | F38 | 118.5° | 120.0° |
| F36 | C35 | C24 | F37 | 118.4° | 120.0° |
| F36 | C35 | F38 | F37 | 109.9° | 120.0° |
| F36 | C35 | C24 | H4 | 170.9° | 60.0° |
| F36 | C35 | C24 | H5 | 52.3° | 60.0° |
| N22 | C24 | C35 | H4 | 120.7° | 120.0° |
| N22 | C24 | C35 | H5 | 120.7° | 120.1° |
| N22 | C24 | C35 | F38 | 173.1° | 60.0° |
| N22 | C24 | C35 | F37 | 50.0° | 60.0° |
| C24 | N22 | C23 | C29 | 106.2° | 119.2° |
| C24 | N22 | C23 | C25 | 79.1° | 59.9° |
| N22 | C24 | H4 | H5 | 117.9° | 120.0° |
| C23 | N22 | C24 | C35 | 68.7° | 85.0° |
| N22 | C23 | C29 | C25 | 174.5° | 179.2° |
| N22 | C23 | C29 | C28 | 177.9° | 180.0° |
| N22 | C23 | C25 | C26 | 178.4° | 179.7° |
| C23 | N22 | C24 | H4 | 52.0° | 155.0° |
| C23 | N22 | C24 | H5 | 170.7° | 35.0° |
| N22 | C23 | C25 | H22 | 1.6° | 0.3° |
| N22 | C23 | C29 | H23 | 2.1° | 0.8° |
| C24 | C35 | F38 | F37 | 128.1° | 120.0° |
| C35 | C24 | H4 | H5 | 117.9° | 120.0° |
| F38 | C35 | C24 | H4 | 52.4° | 180.0° |
| F38 | C35 | C24 | H5 | 66.2° | 60.0° |
| F37 | C35 | C24 | H4 | 70.6° | 60.0° |
| F37 | C35 | C24 | H5 | 170.7° | 180.0° |
| C23 | C29 | C28 | H23 | 180.0° | 179.2° |
| C29 | C23 | C25 | C26 | 3.4° | 0.5° |
| C23 | C29 | C28 | C27 | 1.2° | 0.5° |
| C23 | C29 | C28 | H7 | 178.8° | 179.4° |
| C29 | C23 | C25 | H22 | 176.7° | 179.4° |
| C25 | C23 | C29 | C28 | 3.4° | 0.8° |
| C23 | C25 | C26 | H22 | 180.0° | 180.0° |
| C23 | C25 | C26 | C27 | 0.9° | 0.0° |
| C23 | C25 | C26 | H6 | 179.1° | 179.7° |
| C25 | C23 | C29 | H23 | 176.6° | 180.0° |
| C29 | C28 | C27 | H7 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 1.2° | 0.0° |
| C29 | C28 | C27 | C30 | 178.3° | 180.0° |
| C25 | C26 | C27 | C28 | 1.3° | 0.3° |
| C25 | C26 | C27 | H6 | 180.0° | 179.7° |
| C25 | C26 | C27 | C30 | 178.7° | 179.7° |
| C28 | C27 | C26 | C30 | 177.4° | 180.0° |
| C28 | C27 | C30 | C31 | 15.4° | 0.0° |
| C28 | C27 | C26 | H6 | 178.7° | 180.0° |
| C27 | C28 | C29 | H23 | 178.8° | 179.7° |
| C28 | C27 | C30 | H24 | 164.7° | 180.0° |
| C26 | C27 | C30 | C31 | 161.8° | 180.0° |
| C26 | C27 | C28 | H7 | 178.9° | 180.0° |
| C27 | C26 | C25 | H22 | 179.1° | 180.0° |
| C26 | C27 | C30 | H24 | 18.2° | 0.0° |
| C27 | C30 | C31 | H24 | 180.0° | 179.9° |
| C27 | C30 | C31 | C39 | 178.1° | 180.0° |
| C30 | C27 | C26 | H6 | 1.3° | 0.0° |
| C30 | C27 | C28 | H7 | 1.7° | 0.0° |
| C27 | C30 | C31 | H25 | 1.9° | 0.1° |
| C30 | C31 | C39 | H25 | 180.0° | 179.9° |
| C30 | C31 | C39 | O40 | 167.8° | 0.0° |
| C30 | C31 | C39 | O41 | 13.3° | 179.9° |
| C31 | C39 | O40 | O41 | 178.8° | 180.0° |
| C39 | C31 | C30 | H24 | 1.8° | 0.1° |
| C31 | C39 | O41 | H26 | 178.8° | 180.0° |
| O40 | C39 | C31 | H25 | 12.2° | 180.0° |
| O40 | C39 | O41 | H26 | 0.0° | 0.0° |
| O41 | C39 | C31 | H25 | 166.7° | 0.0° |
| H1 | C10 | C11 | H15 | 2.3° | 0.1° |
| H2 | C13 | C14 | H16 | 0.6° | 0.3° |
| H3 | C15 | C16 | H17 | 0.7° | 0.3° |
| H6 | C26 | C25 | H22 | 0.9° | 0.3° |
| H7 | C28 | C29 | H23 | 1.2° | 0.2° |
| H9 | C02 | C03 | H10 | 80.2° | 80.2° |
| H10 | C03 | C04 | H11 | 0.4° | 123.7° |
| H10 | C03 | C04 | H12 | 121.9° | 0.1° |
| H11 | C04 | C06 | H14 | 81.5° | 42.8° |
| H12 | C04 | C06 | H14 | 39.9° | 80.9° |
| H18 | C18 | C19 | H19 | 0.3° | 0.8° |
| H24 | C30 | C31 | H25 | 178.1° | 180.0° |
