X1O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F08 | C04 | sing | 1.37Å | 1.36Å | |
| C31 | C35 | doub | 1.37Å | 1.39Å | Aromatic |
| C31 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C32 | sing | 1.37Å | 1.41Å | Aromatic |
| C04 | C05 | doub | 1.35Å | 1.40Å | Aromatic |
| C04 | C01 | sing | 1.37Å | 1.39Å | Aromatic |
| C05 | C02 | sing | 1.37Å | 1.41Å | Aromatic |
| C34 | C33 | doub | 1.40Å | 1.41Å | Aromatic |
| C52 | C51 | doub | 1.38Å | 1.38Å | Aromatic |
| C52 | N53 | sing | 1.33Å | 1.32Å | Aromatic |
| C32 | N16 | doub | 1.34Å | 1.37Å | Aromatic |
| C01 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | F10 | sing | 1.34Å | 1.33Å | |
| C02 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| O48 | C44 | doub | 1.24Å | 1.22Å | |
| C51 | C47 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C29 | sing | 1.37Å | 1.41Å | Aromatic |
| C30 | N27 | sing | 1.34Å | 1.36Å | Aromatic |
| C33 | N16 | sing | 1.34Å | 1.33Å | Aromatic |
| C33 | C36 | sing | 1.49Å | 1.39Å | |
| N16 | IR07 | sing | 2.16Å | 2.14Å | |
| C03 | C06 | sing | 1.39Å | 1.42Å | Aromatic |
| C03 | IR07 | sing | 2.02Å | 1.99Å | |
| C06 | C09 | sing | 1.49Å | 1.55Å | |
| N53 | C49 | doub | 1.33Å | 1.34Å | Aromatic |
| C46 | C47 | sing | 1.51Å | 1.50Å | |
| C46 | C45 | sing | 1.53Å | 1.51Å | |
| C36 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | N38 | sing | 1.35Å | 1.34Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.37Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C44 | N43 | sing | 1.34Å | 1.45Å | |
| C44 | C45 | sing | 1.52Å | 1.52Å | |
| N27 | IR07 | sing | 2.07Å | 2.01Å | |
| N27 | C23 | doub | 1.35Å | 1.37Å | Aromatic |
| C47 | C50 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C09 | N12 | sing | 1.35Å | 1.36Å | Aromatic |
| IR07 | N38 | sing | 2.18Å | 2.11Å | |
| IR07 | N12 | sing | 2.06Å | 2.01Å | |
| IR07 | C17 | sing | 2.03Å | 1.99Å | |
| N38 | C41 | doub | 1.34Å | 1.36Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| N43 | C42 | sing | 1.47Å | 1.46Å | |
| C40 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| N12 | C15 | doub | 1.35Å | 1.36Å | Aromatic |
| C49 | C50 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | C20 | sing | 1.49Å | 1.54Å | |
| C41 | C37 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C11 | doub | 1.37Å | 1.41Å | Aromatic |
| C37 | C42 | sing | 1.52Å | 1.50Å | |
| C15 | C11 | sing | 1.37Å | 1.40Å | Aromatic |
| C17 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| C19 | C22 | doub | 1.37Å | 1.38Å | Aromatic |
| C21 | F24 | sing | 1.34Å | 1.35Å | |
| C21 | C18 | doub | 1.37Å | 1.43Å | Aromatic |
| C22 | C18 | sing | 1.35Å | 1.41Å | Aromatic |
| C22 | F25 | sing | 1.37Å | 1.45Å | |
| C01 | H1 | sing | 0.94Å | 1.08Å | |
| C05 | H2 | sing | 0.94Å | 1.08Å | |
| C11 | H3 | sing | 0.94Å | 1.08Å | |
| C13 | H4 | sing | 0.94Å | 1.08Å | |
| C14 | H5 | sing | 0.94Å | 1.08Å | |
| C15 | H6 | sing | 0.94Å | 1.08Å | |
| C18 | H7 | sing | 0.94Å | 1.08Å | |
| C19 | H8 | sing | 0.94Å | 1.08Å | |
| C26 | H9 | sing | 0.94Å | 1.08Å | |
| C28 | H10 | sing | 0.94Å | 1.08Å | |
| C29 | H11 | sing | 0.94Å | 1.08Å | |
| C30 | H12 | sing | 0.94Å | 1.08Å | |
| C31 | H13 | sing | 0.94Å | 1.08Å | |
| C32 | H14 | sing | 0.94Å | 1.08Å | |
| C34 | H15 | sing | 0.94Å | 1.08Å | |
| C35 | H16 | sing | 0.94Å | 1.08Å | |
| C39 | H17 | sing | 0.94Å | 1.08Å | |
| C40 | H18 | sing | 0.94Å | 1.08Å | |
| C41 | H19 | sing | 0.94Å | 1.08Å | |
| C42 | H20 | sing | 0.98Å | 1.10Å | |
| C42 | H21 | sing | 0.98Å | 1.10Å | |
| C45 | H22 | sing | 0.97Å | 1.10Å | |
| C45 | H23 | sing | 0.97Å | 1.10Å | |
| C46 | H24 | sing | 0.98Å | 1.10Å | |
| C46 | H25 | sing | 0.98Å | 1.10Å | |
| C49 | H26 | sing | 0.94Å | 1.08Å | |
| C50 | H27 | sing | 0.94Å | 1.08Å | |
| C51 | H28 | sing | 0.94Å | 1.08Å | |
| C52 | H29 | sing | 0.94Å | 1.08Å | |
| N43 | H30 | sing | 0.89Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F08 | C04 | C05 | 122.7° | 119.3° |
| F08 | C04 | C01 | 119.4° | 120.5° |
| C35 | C31 | C34 | 111.5° | 119.4° |
| C31 | C35 | C32 | 121.5° | 118.4° |
| C35 | C31 | H13 | 124.3° | 120.4° |
| C31 | C35 | H16 | 119.3° | 120.9° |
| C31 | C34 | C33 | 121.6° | 119.4° |
| C34 | C31 | H13 | 124.2° | 120.2° |
| C31 | C34 | H15 | 119.2° | 119.7° |
| C35 | C32 | N16 | 128.8° | 123.7° |
| C35 | C32 | H14 | 115.6° | 118.1° |
| C32 | C35 | H16 | 119.3° | 120.7° |
| C05 | C04 | C01 | 117.9° | 120.3° |
| C04 | C05 | C02 | 120.6° | 120.2° |
| C04 | C05 | H2 | 119.7° | 119.9° |
| C04 | C01 | C03 | 120.6° | 120.9° |
| C04 | C01 | H1 | 119.7° | 117.7° |
| C05 | C02 | F10 | 117.6° | 115.4° |
| C05 | C02 | C06 | 123.3° | 121.4° |
| C02 | C05 | H2 | 119.7° | 119.9° |
| C34 | C33 | N16 | 130.1° | 121.2° |
| C34 | C33 | C36 | 122.0° | 124.0° |
| C33 | C34 | H15 | 119.2° | 120.9° |
| C51 | C52 | N53 | 118.9° | 123.7° |
| C52 | C51 | C47 | 118.1° | 119.7° |
| C52 | C51 | H28 | 120.9° | 120.2° |
| C51 | C52 | H29 | 120.5° | 118.4° |
| C52 | N53 | C49 | 122.8° | 116.6° |
| N53 | C52 | H29 | 120.6° | 118.0° |
| C32 | N16 | C33 | 106.4° | 117.9° |
| C32 | N16 | IR07 | 125.6° | 124.7° |
| N16 | C32 | H14 | 115.6° | 118.2° |
| C01 | C03 | C06 | 123.6° | 119.5° |
| C01 | C03 | IR07 | 129.9° | 123.2° |
| C03 | C01 | H1 | 119.7° | 121.3° |
| F10 | C02 | C06 | 119.1° | 123.2° |
| C02 | C06 | C03 | 114.0° | 117.7° |
| C02 | C06 | C09 | 127.8° | 129.6° |
| O48 | C44 | N43 | 116.2° | 122.8° |
| O48 | C44 | C45 | 112.8° | 119.9° |
| C51 | C47 | C46 | 92.9° | 121.8° |
| C51 | C47 | C50 | 123.4° | 116.6° |
| C47 | C51 | H28 | 120.9° | 120.1° |
| C30 | C26 | C29 | 118.9° | 118.4° |
| C26 | C30 | N27 | 120.6° | 123.7° |
| C30 | C26 | H9 | 120.5° | 120.8° |
| C26 | C30 | H12 | 119.7° | 118.2° |
| C26 | C29 | C28 | 118.4° | 119.2° |
| C29 | C26 | H9 | 120.6° | 120.8° |
| C26 | C29 | H11 | 120.8° | 120.5° |
| C30 | N27 | IR07 | 128.4° | 125.5° |
| C30 | N27 | C23 | 123.3° | 117.6° |
| N27 | C30 | H12 | 119.7° | 118.0° |
| N16 | C33 | C36 | 108.0° | 114.8° |
| C33 | N16 | IR07 | 128.0° | 116.6° |
| C33 | C36 | C39 | 118.4° | 123.9° |
| C33 | C36 | N38 | 111.5° | 115.2° |
| N16 | IR07 | C03 | 107.3° | 96.2° |
| N16 | IR07 | N27 | 128.9° | 95.7° |
| N16 | IR07 | N38 | 65.5° | 74.7° |
| N16 | IR07 | N12 | 64.5° | 90.1° |
| N16 | IR07 | C17 | 141.0° | 173.1° |
| C06 | C03 | IR07 | 106.4° | 116.1° |
| C03 | C06 | C09 | 118.3° | 112.7° |
| C03 | IR07 | N27 | 77.9° | 98.3° |
| C03 | IR07 | N38 | 147.8° | 168.5° |
| C03 | IR07 | N12 | 90.0° | 79.2° |
| C03 | IR07 | C17 | 81.3° | 86.6° |
| C06 | C09 | C13 | 128.4° | 123.7° |
| C06 | C09 | N12 | 116.2° | 114.7° |
| N53 | C49 | C50 | 122.4° | 123.6° |
| N53 | C49 | H26 | 118.8° | 118.0° |
| C47 | C46 | C45 | 128.6° | 114.3° |
| C46 | C47 | C50 | 143.7° | 121.6° |
| C47 | C46 | H24 | 104.5° | 108.8° |
| C47 | C46 | H25 | 104.5° | 109.1° |
| C46 | C45 | C44 | 99.8° | 113.0° |
| C46 | C45 | H22 | 111.8° | 109.0° |
| C46 | C45 | H23 | 111.8° | 109.0° |
| C45 | C46 | H24 | 104.5° | 108.7° |
| C45 | C46 | H25 | 104.5° | 108.6° |
| C39 | C36 | N38 | 130.1° | 121.0° |
| C36 | C39 | C40 | 119.8° | 119.1° |
| C36 | C39 | H17 | 120.1° | 121.1° |
| C36 | N38 | IR07 | 126.8° | 115.4° |
| C36 | N38 | C41 | 109.9° | 118.9° |
| C39 | C40 | C37 | 112.7° | 121.0° |
| C40 | C39 | H17 | 120.1° | 119.8° |
| C39 | C40 | H18 | 123.6° | 119.4° |
| C29 | C28 | C23 | 121.6° | 119.3° |
| C29 | C28 | H10 | 119.2° | 120.1° |
| C28 | C29 | H11 | 120.8° | 120.3° |
| N43 | C44 | C45 | 130.7° | 117.3° |
| C44 | N43 | C42 | 118.0° | 125.9° |
| C44 | N43 | H30 | 121.0° | 118.9° |
| C44 | C45 | H22 | 111.8° | 109.4° |
| C44 | C45 | H23 | 111.8° | 108.4° |
| IR07 | N27 | C23 | 108.3° | 116.4° |
| N27 | IR07 | N38 | 83.5° | 89.6° |
| N27 | IR07 | N12 | 164.0° | 173.9° |
| N27 | IR07 | C17 | 89.9° | 77.6° |
| N27 | C23 | C28 | 117.1° | 121.8° |
| N27 | C23 | C20 | 117.2° | 114.4° |
| C47 | C50 | C49 | 114.3° | 119.7° |
| C47 | C50 | H27 | 122.8° | 120.1° |
| C13 | C09 | N12 | 115.4° | 121.5° |
| C09 | C13 | C14 | 121.4° | 119.5° |
| C09 | C13 | H4 | 119.3° | 120.5° |
| C09 | N12 | IR07 | 109.1° | 115.9° |
| C09 | N12 | C15 | 125.9° | 117.5° |
| N38 | IR07 | N12 | 111.9° | 93.7° |
| N38 | IR07 | C17 | 125.0° | 103.3° |
| IR07 | N38 | C41 | 122.7° | 123.7° |
| N12 | IR07 | C17 | 77.9° | 96.6° |
| IR07 | N12 | C15 | 125.0° | 126.4° |
| IR07 | C17 | C20 | 106.8° | 116.4° |
| IR07 | C17 | C19 | 128.1° | 122.1° |
| N38 | C41 | C37 | 123.2° | 123.7° |
| N38 | C41 | H19 | 118.4° | 117.7° |
| C13 | C14 | C11 | 119.5° | 119.2° |
| C14 | C13 | H4 | 119.3° | 120.0° |
| C13 | C14 | H5 | 120.3° | 120.3° |
| N43 | C42 | C37 | 87.3° | 116.4° |
| N43 | C42 | H20 | 114.7° | 108.0° |
| N43 | C42 | H21 | 114.7° | 108.9° |
| C42 | N43 | H30 | 121.0° | 115.1° |
| C40 | C37 | C41 | 123.9° | 116.4° |
| C40 | C37 | C42 | 110.7° | 120.0° |
| C37 | C40 | H18 | 123.6° | 119.6° |
| N12 | C15 | C11 | 119.4° | 123.8° |
| N12 | C15 | H6 | 120.3° | 118.1° |
| C50 | C49 | H26 | 118.8° | 118.3° |
| C49 | C50 | H27 | 122.8° | 120.2° |
| C28 | C23 | C20 | 125.7° | 123.9° |
| C23 | C28 | H10 | 119.2° | 120.6° |
| C23 | C20 | C17 | 117.7° | 111.8° |
| C23 | C20 | C21 | 128.5° | 130.0° |
| C41 | C37 | C42 | 124.7° | 123.5° |
| C37 | C41 | H19 | 118.4° | 118.7° |
| C14 | C11 | C15 | 118.4° | 118.4° |
| C14 | C11 | H3 | 120.8° | 120.9° |
| C11 | C14 | H5 | 120.2° | 120.4° |
| C37 | C42 | H20 | 114.7° | 108.0° |
| C37 | C42 | H21 | 114.7° | 108.0° |
| C15 | C11 | H3 | 120.8° | 120.7° |
| C11 | C15 | H6 | 120.3° | 118.1° |
| C20 | C17 | C19 | 124.7° | 119.1° |
| C17 | C20 | C21 | 113.7° | 118.2° |
| C17 | C19 | C22 | 120.2° | 121.0° |
| C17 | C19 | H8 | 119.9° | 121.5° |
| C20 | C21 | F24 | 119.0° | 123.2° |
| C20 | C21 | C18 | 122.2° | 121.2° |
| C19 | C22 | C18 | 117.4° | 120.4° |
| C19 | C22 | F25 | 119.4° | 120.5° |
| C22 | C19 | H8 | 119.9° | 117.5° |
| F24 | C21 | C18 | 118.8° | 115.7° |
| C21 | C18 | C22 | 121.5° | 120.1° |
| C21 | C18 | H7 | 119.3° | 120.0° |
| C18 | C22 | F25 | 123.2° | 119.2° |
| C22 | C18 | H7 | 119.2° | 119.9° |
| H20 | C42 | H21 | 109.5° | 107.1° |
| H22 | C45 | H23 | 109.5° | 108.0° |
| H24 | C46 | H25 | 109.5° | 107.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F08 | C04 | C05 | C01 | 179.8° | 179.8° |
| F08 | C04 | C05 | C02 | 180.0° | 179.6° |
| F08 | C04 | C01 | C03 | 178.5° | 179.7° |
| F08 | C04 | C01 | H1 | 1.5° | 0.6° |
| F08 | C04 | C05 | H2 | 0.0° | 0.1° |
| C35 | C31 | C34 | H13 | 180.0° | 179.9° |
| C31 | C35 | C32 | H16 | 180.0° | 179.8° |
| C35 | C31 | C34 | C33 | 0.2° | 0.4° |
| C31 | C35 | C32 | N16 | 4.7° | 0.7° |
| C31 | C35 | C32 | H14 | 175.3° | 180.0° |
| C35 | C31 | C34 | H15 | 179.8° | 179.8° |
| C34 | C31 | C35 | C32 | 1.7° | 0.3° |
| C31 | C34 | C33 | H15 | 180.0° | 179.4° |
| C31 | C34 | C33 | N16 | 0.3° | 1.0° |
| C31 | C34 | C33 | C36 | 179.8° | 179.9° |
| C34 | C31 | C35 | H16 | 178.3° | 179.9° |
| C35 | C32 | N16 | H14 | 180.0° | 179.2° |
| C35 | C32 | N16 | C33 | 4.6° | 1.3° |
| C35 | C32 | N16 | IR07 | 177.9° | 167.9° |
| C32 | C35 | C31 | H13 | 178.3° | 179.9° |
| C04 | C05 | C02 | H2 | 180.0° | 179.6° |
| C05 | C04 | C01 | C03 | 1.6° | 0.5° |
| C04 | C05 | C02 | F10 | 179.6° | 179.6° |
| C04 | C05 | C02 | C06 | 0.3° | 1.1° |
| C05 | C04 | C01 | H1 | 178.4° | 179.6° |
| C01 | C04 | C05 | C02 | 0.2° | 0.2° |
| C04 | C01 | C03 | H1 | 180.0° | 179.1° |
| C04 | C01 | C03 | C06 | 2.8° | 0.3° |
| C04 | C01 | C03 | IR07 | 178.3° | 166.5° |
| C01 | C04 | C05 | H2 | 179.9° | 179.8° |
| C05 | C02 | F10 | C06 | 179.9° | 178.5° |
| C05 | C02 | C06 | C03 | 0.7° | 1.2° |
| C05 | C02 | C06 | C09 | 179.2° | 179.8° |
| C34 | C33 | N16 | C32 | 2.5° | 1.4° |
| C34 | C33 | N16 | C36 | 179.9° | 179.2° |
| C34 | C33 | N16 | IR07 | 179.9° | 168.6° |
| C34 | C33 | C36 | C39 | 0.4° | 3.4° |
| C34 | C33 | C36 | N38 | 176.8° | 176.8° |
| C33 | C34 | C31 | H13 | 179.8° | 179.7° |
| C51 | C52 | N53 | H29 | 180.0° | 180.0° |
| C52 | C51 | C47 | H28 | 180.0° | 179.9° |
| C51 | C52 | N53 | C49 | 1.3° | 0.0° |
| C52 | C51 | C47 | C46 | 179.7° | 180.0° |
| C52 | C51 | C47 | C50 | 1.1° | 0.0° |
| N53 | C52 | C51 | C47 | 0.0° | 0.1° |
| C52 | N53 | C49 | C50 | 1.7° | 0.1° |
| C52 | N53 | C49 | H26 | 178.3° | 180.0° |
| N53 | C52 | C51 | H28 | 180.0° | 179.9° |
| C32 | N16 | C33 | IR07 | 177.4° | 170.1° |
| C32 | N16 | C33 | C36 | 177.6° | 179.4° |
| C32 | N16 | IR07 | C03 | 28.7° | 10.8° |
| C32 | N16 | IR07 | N27 | 116.9° | 88.2° |
| C32 | N16 | IR07 | N38 | 175.0° | 176.3° |
| C32 | N16 | IR07 | N12 | 52.7° | 89.9° |
| C32 | N16 | IR07 | C17 | 68.9° | 102.4° |
| N16 | C32 | C35 | H16 | 175.3° | 179.4° |
| C01 | C03 | C06 | C02 | 2.2° | 0.5° |
| C01 | C03 | IR07 | N16 | 115.0° | 86.3° |
| C01 | C03 | C06 | IR07 | 176.4° | 167.7° |
| C01 | C03 | C06 | C09 | 179.1° | 179.3° |
| C01 | C03 | IR07 | N27 | 12.3° | 10.4° |
| C01 | C03 | IR07 | N38 | 43.7° | 122.9° |
| C01 | C03 | IR07 | N12 | 178.1° | 175.3° |
| C01 | C03 | IR07 | C17 | 104.1° | 87.3° |
| F10 | C02 | C06 | C03 | 179.4° | 179.6° |
| F10 | C02 | C06 | C09 | 0.9° | 1.8° |
| F10 | C02 | C05 | H2 | 0.4° | 0.8° |
| C02 | C06 | C03 | C09 | 178.7° | 178.8° |
| C02 | C06 | C03 | IR07 | 178.7° | 168.2° |
| C02 | C06 | C09 | C13 | 1.5° | 9.2° |
| C02 | C06 | C09 | N12 | 179.4° | 169.5° |
| C06 | C02 | C05 | H2 | 179.7° | 179.4° |
| O48 | C44 | C45 | C46 | 19.3° | 77.2° |
| O48 | C44 | N43 | C45 | 173.0° | 178.9° |
| O48 | C44 | N43 | C42 | 176.4° | 5.1° |
| O48 | C44 | C45 | H22 | 137.7° | 161.2° |
| O48 | C44 | C45 | H23 | 99.1° | 43.7° |
| O48 | C44 | N43 | H30 | 3.6° | 170.8° |
| C51 | C47 | C46 | C50 | 178.0° | 180.0° |
| C51 | C47 | C46 | C45 | 174.0° | 97.8° |
| C51 | C47 | C50 | C49 | 0.7° | 0.1° |
| C51 | C47 | C46 | H24 | 51.4° | 140.6° |
| C51 | C47 | C46 | H25 | 63.5° | 24.0° |
| C51 | C47 | C50 | H27 | 179.3° | 179.8° |
| C47 | C51 | C52 | H29 | 180.0° | 179.9° |
| C30 | C26 | C29 | H9 | 180.0° | 179.9° |
| C26 | C30 | N27 | H12 | 180.0° | 179.6° |
| C30 | C26 | C29 | C28 | 1.2° | 0.1° |
| C26 | C30 | N27 | IR07 | 178.9° | 171.3° |
| C26 | C30 | N27 | C23 | 0.1° | 0.4° |
| C30 | C26 | C29 | H11 | 178.8° | 179.8° |
| C29 | C26 | C30 | N27 | 0.5° | 0.3° |
| C26 | C29 | C28 | H11 | 180.0° | 179.8° |
| C26 | C29 | C28 | C23 | 1.2° | 0.3° |
| C26 | C29 | C28 | H10 | 178.8° | 179.9° |
| C29 | C26 | C30 | H12 | 179.5° | 179.9° |
| C30 | N27 | IR07 | N16 | 5.9° | 3.5° |
| C30 | N27 | IR07 | C03 | 96.6° | 100.6° |
| C30 | N27 | IR07 | C23 | 178.9° | 171.7° |
| C30 | N27 | IR07 | N38 | 57.0° | 71.0° |
| C30 | N27 | IR07 | N12 | 138.0° | 165.8° |
| C30 | N27 | IR07 | C17 | 177.7° | 174.8° |
| C30 | N27 | C23 | C28 | 0.2° | 0.1° |
| C30 | N27 | C23 | C20 | 178.9° | 179.6° |
| N27 | C30 | C26 | H9 | 179.5° | 179.8° |
| C33 | N16 | IR07 | C03 | 148.2° | 158.5° |
| N16 | C33 | C36 | C39 | 179.6° | 175.7° |
| N16 | C33 | C36 | N38 | 3.3° | 4.1° |
| C33 | N16 | IR07 | N27 | 60.0° | 102.5° |
| C33 | N16 | IR07 | N38 | 1.9° | 14.4° |
| C33 | N16 | IR07 | N12 | 130.3° | 79.4° |
| C33 | N16 | IR07 | C17 | 114.1° | 88.3° |
| C33 | N16 | C32 | H14 | 175.4° | 179.4° |
| N16 | C33 | C34 | H15 | 179.6° | 179.6° |
| C36 | C33 | N16 | IR07 | 0.2° | 10.5° |
| C33 | C36 | C39 | N38 | 176.5° | 179.8° |
| C33 | C36 | C39 | C40 | 179.8° | 179.9° |
| C33 | C36 | N38 | IR07 | 5.8° | 16.6° |
| C33 | C36 | N38 | C41 | 177.1° | 179.1° |
| C36 | C33 | C34 | H15 | 0.3° | 0.5° |
| C33 | C36 | C39 | H17 | 0.2° | 0.4° |
| N16 | IR07 | C03 | C06 | 61.2° | 80.9° |
| N16 | IR07 | C03 | N27 | 127.3° | 96.7° |
| N16 | IR07 | C03 | N38 | 71.3° | 36.6° |
| N16 | IR07 | C03 | N12 | 63.1° | 88.9° |
| N16 | IR07 | C03 | C17 | 140.9° | 173.6° |
| N16 | IR07 | N38 | C36 | 4.2° | 16.6° |
| N16 | IR07 | N27 | N38 | 51.0° | 74.5° |
| N16 | IR07 | N27 | N12 | 143.9° | 162.3° |
| N16 | IR07 | N27 | C17 | 176.3° | 178.3° |
| N16 | IR07 | N27 | C23 | 175.2° | 168.2° |
| N16 | IR07 | N12 | C09 | 108.3° | 95.1° |
| N16 | IR07 | N38 | N12 | 46.0° | 89.1° |
| N16 | IR07 | N38 | C17 | 136.4° | 173.2° |
| N16 | IR07 | N12 | C17 | 169.7° | 178.5° |
| N16 | IR07 | N38 | C41 | 174.5° | 180.0° |
| N16 | IR07 | N12 | C15 | 72.3° | 90.2° |
| N16 | IR07 | C17 | C20 | 173.5° | 31.6° |
| N16 | IR07 | C17 | C19 | 0.2° | 166.2° |
| IR07 | N16 | C32 | H14 | 2.1° | 11.4° |
| C06 | C03 | IR07 | N27 | 171.5° | 177.6° |
| C03 | C06 | C09 | C13 | 180.0° | 169.4° |
| C03 | C06 | C09 | N12 | 2.2° | 11.9° |
| C06 | C03 | IR07 | N38 | 132.5° | 44.3° |
| C06 | C03 | IR07 | N12 | 2.0° | 8.1° |
| C06 | C03 | IR07 | C17 | 79.7° | 105.5° |
| C06 | C03 | C01 | H1 | 177.2° | 179.4° |
| IR07 | C03 | C06 | C09 | 2.7° | 13.0° |
| C03 | IR07 | N38 | C36 | 87.8° | 21.3° |
| C03 | IR07 | N27 | N38 | 153.6° | 171.7° |
| C03 | IR07 | N27 | N12 | 41.4° | 65.2° |
| C03 | IR07 | N27 | C17 | 81.1° | 84.6° |
| C03 | IR07 | N27 | C23 | 82.2° | 71.1° |
| C03 | IR07 | N12 | C09 | 0.9° | 1.2° |
| C03 | IR07 | N38 | N12 | 129.7° | 51.2° |
| C03 | IR07 | N38 | C17 | 140.0° | 148.9° |
| C03 | IR07 | N12 | C17 | 81.1° | 85.2° |
| C03 | IR07 | N38 | C41 | 101.8° | 142.1° |
| C03 | IR07 | N12 | C15 | 178.4° | 173.6° |
| C03 | IR07 | C17 | C20 | 79.7° | 82.2° |
| C03 | IR07 | C17 | C19 | 106.9° | 80.1° |
| IR07 | C03 | C01 | H1 | 1.6° | 12.6° |
| C06 | C09 | C13 | N12 | 177.9° | 178.6° |
| C06 | C09 | N12 | IR07 | 0.3° | 5.4° |
| C06 | C09 | C13 | C14 | 179.2° | 179.8° |
| C06 | C09 | N12 | C15 | 179.7° | 179.4° |
| C06 | C09 | C13 | H4 | 0.8° | 1.6° |
| N53 | C49 | C50 | C47 | 0.6° | 0.2° |
| N53 | C49 | C50 | H26 | 180.0° | 179.8° |
| N53 | C49 | C50 | H27 | 179.3° | 179.9° |
| C49 | N53 | C52 | H29 | 178.7° | 180.0° |
| C47 | C46 | C45 | H24 | 122.5° | 121.7° |
| C47 | C46 | C45 | H25 | 122.5° | 122.1° |
| C47 | C46 | C45 | C44 | 148.3° | 157.2° |
| C46 | C47 | C50 | C49 | 178.3° | 179.9° |
| C47 | C46 | C45 | H22 | 29.9° | 81.0° |
| C47 | C46 | C45 | H23 | 93.2° | 36.6° |
| C47 | C46 | H24 | H25 | 111.4° | 117.9° |
| C46 | C47 | C50 | H27 | 1.7° | 0.1° |
| C46 | C47 | C51 | H28 | 0.4° | 0.1° |
| C46 | C45 | C44 | N43 | 153.9° | 101.7° |
| C46 | C45 | C44 | H22 | 118.4° | 121.6° |
| C46 | C45 | C44 | H23 | 118.4° | 120.9° |
| C45 | C46 | C47 | C50 | 4.0° | 82.2° |
| C46 | C45 | H22 | H23 | 124.5° | 118.2° |
| C45 | C46 | H24 | H25 | 111.4° | 117.1° |
| C36 | C39 | C40 | H17 | 180.0° | 179.7° |
| C39 | C36 | N38 | IR07 | 177.5° | 163.3° |
| C39 | C36 | N38 | C41 | 6.2° | 1.0° |
| C36 | C39 | C40 | C37 | 2.8° | 0.1° |
| C36 | C39 | C40 | H18 | 177.1° | 179.9° |
| N38 | C36 | C39 | C40 | 3.3° | 0.3° |
| C36 | N38 | IR07 | N27 | 142.5° | 112.6° |
| C36 | N38 | IR07 | C41 | 170.3° | 163.5° |
| C36 | N38 | IR07 | N12 | 41.9° | 72.6° |
| C36 | N38 | IR07 | C17 | 132.2° | 170.3° |
| C36 | N38 | C41 | C37 | 3.1° | 1.5° |
| N38 | C36 | C39 | H17 | 176.7° | 179.4° |
| C36 | N38 | C41 | H19 | 176.9° | 179.9° |
| C39 | C40 | C37 | H18 | 180.0° | 180.0° |
| C39 | C40 | C37 | C41 | 5.5° | 0.3° |
| C39 | C40 | C37 | C42 | 176.2° | 179.8° |
| C29 | C28 | C23 | N27 | 0.5° | 0.2° |
| C29 | C28 | C23 | H10 | 180.0° | 179.8° |
| C29 | C28 | C23 | C20 | 179.5° | 179.9° |
| C28 | C29 | C26 | H9 | 178.8° | 179.9° |
| C44 | N43 | C42 | H30 | 180.0° | 176.0° |
| C44 | N43 | C42 | C37 | 98.9° | 126.9° |
| C44 | N43 | C42 | H20 | 145.1° | 111.4° |
| C44 | N43 | C42 | H21 | 17.1° | 4.6° |
| N43 | C44 | C45 | H22 | 35.4° | 19.9° |
| N43 | C44 | C45 | H23 | 87.7° | 137.4° |
| C45 | C44 | N43 | C42 | 10.7° | 173.8° |
| C44 | C45 | H22 | H23 | 124.5° | 117.8° |
| C44 | C45 | C46 | H24 | 89.1° | 35.5° |
| C44 | C45 | C46 | H25 | 25.9° | 80.7° |
| C45 | C44 | N43 | H30 | 169.3° | 10.3° |
| N27 | IR07 | N12 | C09 | 41.2° | 67.3° |
| N27 | IR07 | N38 | N12 | 175.6° | 174.9° |
| N27 | IR07 | N38 | C17 | 85.3° | 77.2° |
| N27 | IR07 | N12 | C17 | 40.8° | 19.1° |
| N27 | IR07 | N38 | C41 | 47.1° | 84.0° |
| N27 | IR07 | N12 | C15 | 138.2° | 107.4° |
| IR07 | N27 | C23 | C28 | 179.1° | 172.3° |
| IR07 | N27 | C23 | C20 | 0.0° | 8.0° |
| N27 | IR07 | C17 | C20 | 1.9° | 17.1° |
| N27 | IR07 | C17 | C19 | 175.3° | 179.3° |
| IR07 | N27 | C30 | H12 | 1.1° | 8.4° |
| C23 | N27 | IR07 | N38 | 124.2° | 117.2° |
| C23 | N27 | IR07 | N12 | 40.9° | 5.9° |
| C23 | N27 | IR07 | C17 | 1.1° | 13.5° |
| N27 | C23 | C28 | C20 | 179.0° | 179.7° |
| N27 | C23 | C20 | C17 | 1.7° | 6.1° |
| N27 | C23 | C20 | C21 | 179.5° | 171.1° |
| N27 | C23 | C28 | H10 | 179.5° | 180.0° |
| C23 | N27 | C30 | H12 | 179.8° | 180.0° |
| C47 | C50 | C49 | H27 | 180.0° | 179.8° |
| C50 | C47 | C46 | H24 | 126.5° | 39.4° |
| C50 | C47 | C46 | H25 | 118.5° | 156.0° |
| C47 | C50 | C49 | H26 | 179.4° | 180.0° |
| C50 | C47 | C51 | H28 | 178.9° | 179.9° |
| C13 | C09 | N12 | IR07 | 178.5° | 175.9° |
| C09 | C13 | C14 | H4 | 180.0° | 178.7° |
| C13 | C09 | N12 | C15 | 2.2° | 0.6° |
| C09 | C13 | C14 | C11 | 0.5° | 0.8° |
| C09 | C13 | C14 | H5 | 179.5° | 179.4° |
| C09 | N12 | IR07 | N38 | 154.9° | 169.7° |
| C09 | N12 | IR07 | C15 | 179.4° | 174.7° |
| C09 | N12 | IR07 | C17 | 82.0° | 86.4° |
| N12 | C09 | C13 | C14 | 1.3° | 1.1° |
| C09 | N12 | C15 | C11 | 2.1° | 0.1° |
| N12 | C09 | C13 | H4 | 178.7° | 179.8° |
| C09 | N12 | C15 | H6 | 177.9° | 179.5° |
| N38 | IR07 | N12 | C17 | 123.1° | 103.9° |
| N38 | IR07 | N12 | C15 | 25.8° | 15.5° |
| IR07 | N38 | C41 | C37 | 174.9° | 161.4° |
| N38 | IR07 | C17 | C20 | 80.0° | 103.8° |
| N38 | IR07 | C17 | C19 | 93.3° | 94.0° |
| IR07 | N38 | C41 | H19 | 5.1° | 17.2° |
| N12 | IR07 | N38 | C41 | 128.5° | 90.9° |
| IR07 | N12 | C15 | C11 | 178.6° | 174.6° |
| N12 | IR07 | C17 | C20 | 171.6° | 160.8° |
| N12 | IR07 | C17 | C19 | 15.1° | 1.4° |
| IR07 | N12 | C15 | H6 | 1.4° | 4.8° |
| C17 | IR07 | N38 | C41 | 38.2° | 6.8° |
| C17 | IR07 | N12 | C15 | 97.3° | 88.3° |
| IR07 | C17 | C20 | C23 | 2.4° | 17.8° |
| IR07 | C17 | C20 | C19 | 173.6° | 162.8° |
| IR07 | C17 | C20 | C21 | 178.6° | 159.8° |
| IR07 | C17 | C19 | C22 | 178.1° | 159.2° |
| IR07 | C17 | C19 | H8 | 1.9° | 19.5° |
| N38 | C41 | C37 | C40 | 2.5° | 1.1° |
| N38 | C41 | C37 | H19 | 180.0° | 178.6° |
| N38 | C41 | C37 | C42 | 171.9° | 179.4° |
| C13 | C14 | C11 | H5 | 180.0° | 179.7° |
| C13 | C14 | C11 | C15 | 0.4° | 0.1° |
| C13 | C14 | C11 | H3 | 179.6° | 179.7° |
| N43 | C42 | C37 | C40 | 71.2° | 176.0° |
| N43 | C42 | C37 | C41 | 99.4° | 4.6° |
| N43 | C42 | C37 | H20 | 116.0° | 121.7° |
| N43 | C42 | C37 | H21 | 116.0° | 122.8° |
| N43 | C42 | H20 | H21 | 130.5° | 117.2° |
| C40 | C37 | C41 | C42 | 169.4° | 179.4° |
| C37 | C40 | C39 | H17 | 177.2° | 179.8° |
| C40 | C37 | C41 | H19 | 177.4° | 179.7° |
| C40 | C37 | C42 | H20 | 44.8° | 62.3° |
| C40 | C37 | C42 | H21 | 172.8° | 53.2° |
| N12 | C15 | C11 | C14 | 1.1° | 0.4° |
| N12 | C15 | C11 | H6 | 180.0° | 179.4° |
| N12 | C15 | C11 | H3 | 178.9° | 179.8° |
| C28 | C23 | C20 | C17 | 177.3° | 173.6° |
| C28 | C23 | C20 | C21 | 1.5° | 9.1° |
| C23 | C28 | C29 | H11 | 178.8° | 179.9° |
| C23 | C20 | C17 | C21 | 179.0° | 177.6° |
| C23 | C20 | C17 | C19 | 176.0° | 179.4° |
| C23 | C20 | C21 | F24 | 0.7° | 1.6° |
| C23 | C20 | C21 | C18 | 179.3° | 179.2° |
| C20 | C23 | C28 | H10 | 0.5° | 0.3° |
| C41 | C37 | C40 | H18 | 174.5° | 179.7° |
| C41 | C37 | C42 | H20 | 144.6° | 117.1° |
| C41 | C37 | C42 | H21 | 16.6° | 127.4° |
| C14 | C11 | C15 | H3 | 180.0° | 179.8° |
| C11 | C14 | C13 | H4 | 179.5° | 179.5° |
| C14 | C11 | C15 | H6 | 178.9° | 179.7° |
| C42 | C37 | C40 | H18 | 3.8° | 0.2° |
| C42 | C37 | C41 | H19 | 8.0° | 0.9° |
| C37 | C42 | H20 | H21 | 130.6° | 116.1° |
| C37 | C42 | N43 | H30 | 81.2° | 57.0° |
| C15 | C11 | C14 | H5 | 179.6° | 179.9° |
| C20 | C17 | C19 | C22 | 5.9° | 2.6° |
| C17 | C20 | C21 | F24 | 178.1° | 178.6° |
| C17 | C20 | C21 | C18 | 1.9° | 2.1° |
| C20 | C17 | C19 | H8 | 174.1° | 178.7° |
| C19 | C17 | C20 | C21 | 5.0° | 3.0° |
| C17 | C19 | C22 | H8 | 180.0° | 178.8° |
| C17 | C19 | C22 | C18 | 3.1° | 1.2° |
| C17 | C19 | C22 | F25 | 176.8° | 179.0° |
| C20 | C21 | F24 | C18 | 180.0° | 179.3° |
| C20 | C21 | C18 | C22 | 0.4° | 0.7° |
| C20 | C21 | C18 | H7 | 179.6° | 179.3° |
| C19 | C22 | C18 | C21 | 0.2° | 0.2° |
| C19 | C22 | C18 | F25 | 179.9° | 179.8° |
| C19 | C22 | C18 | H7 | 179.8° | 179.8° |
| F24 | C21 | C18 | C22 | 179.6° | 180.0° |
| F24 | C21 | C18 | H7 | 0.4° | 0.0° |
| C21 | C18 | C22 | H7 | 180.0° | 180.0° |
| C21 | C18 | C22 | F25 | 179.7° | 179.9° |
| C18 | C22 | C19 | H8 | 176.9° | 179.9° |
| F25 | C22 | C18 | H7 | 0.3° | 0.1° |
| F25 | C22 | C19 | H8 | 3.2° | 0.3° |
| H3 | C11 | C14 | H5 | 0.4° | 0.0° |
| H3 | C11 | C15 | H6 | 1.2° | 0.4° |
| H4 | C13 | C14 | H5 | 0.5° | 0.8° |
| H9 | C26 | C29 | H11 | 1.2° | 0.1° |
| H9 | C26 | C30 | H12 | 0.5° | 0.2° |
| H10 | C28 | C29 | H11 | 1.2° | 0.1° |
| H13 | C31 | C34 | H15 | 0.2° | 0.4° |
| H13 | C31 | C35 | H16 | 1.7° | 0.0° |
| H14 | C32 | C35 | H16 | 4.7° | 0.2° |
| H17 | C39 | C40 | H18 | 2.9° | 0.2° |
| H20 | C42 | N43 | H30 | 34.9° | 64.6° |
| H21 | C42 | N43 | H30 | 162.8° | 179.4° |
| H22 | C45 | C46 | H24 | 152.5° | 157.3° |
| H22 | C45 | C46 | H25 | 92.5° | 41.1° |
| H23 | C45 | C46 | H24 | 29.3° | 85.1° |
| H23 | C45 | C46 | H25 | 144.3° | 158.7° |
| H26 | C49 | C50 | H27 | 0.7° | 0.2° |
| H28 | C51 | C52 | H29 | 0.0° | 0.1° |
