O3L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C08 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C09 | sing | 1.37Å | 1.39Å | Aromatic |
| C02 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | C06 | sing | 1.39Å | 1.42Å | Aromatic |
| C05 | C04 | sing | 1.37Å | 1.40Å | Aromatic |
| C08 | C06 | sing | 1.48Å | 1.47Å | |
| C08 | N10 | doub | 1.33Å | 1.34Å | Aromatic |
| C06 | C03 | doub | 1.36Å | 1.41Å | Aromatic |
| C09 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C01 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | C17 | doub | 1.35Å | 1.42Å | Aromatic |
| C20 | C16 | sing | 1.35Å | 1.39Å | Aromatic |
| C17 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
| C13 | N10 | sing | 1.35Å | 1.37Å | Aromatic |
| N10 | IR07 | sing | 2.18Å | 1.97Å | |
| C16 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C01 | sing | 1.40Å | 1.43Å | Aromatic |
| C03 | IR07 | sing | 2.10Å | 1.98Å | |
| C15 | C18 | doub | 1.41Å | 1.41Å | Aromatic |
| C15 | IR07 | sing | 2.05Å | 1.99Å | |
| C19 | C18 | sing | 1.42Å | 1.41Å | Aromatic |
| C18 | C21 | sing | 1.49Å | 1.48Å | |
| IR07 | N34 | sing | 2.31Å | 1.98Å | |
| IR07 | N14 | sing | 2.36Å | 2.01Å | |
| IR07 | N23 | sing | 2.14Å | 1.97Å | |
| C37 | N34 | doub | 1.34Å | 1.35Å | Aromatic |
| C37 | C33 | sing | 1.39Å | 1.41Å | Aromatic |
| C50 | C49 | doub | 1.37Å | 1.43Å | Aromatic |
| C50 | C51 | sing | 1.37Å | 1.40Å | Aromatic |
| C38 | C33 | sing | 1.51Å | 1.55Å | |
| C38 | N39 | sing | 1.46Å | 1.47Å | |
| C49 | N48 | sing | 1.34Å | 1.35Å | Aromatic |
| N34 | C32 | sing | 1.34Å | 1.33Å | Aromatic |
| C33 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | N23 | doub | 1.36Å | 1.36Å | Aromatic |
| C21 | C24 | sing | 1.40Å | 1.42Å | Aromatic |
| N14 | C28 | doub | 1.37Å | 1.35Å | Aromatic |
| N14 | C29 | sing | 1.35Å | 1.37Å | Aromatic |
| N23 | C26 | sing | 1.36Å | 1.36Å | Aromatic |
| C28 | C31 | sing | 1.37Å | 1.42Å | Aromatic |
| N39 | C40 | sing | 1.34Å | 1.47Å | |
| C32 | C29 | sing | 1.47Å | 1.45Å | |
| C32 | C35 | doub | 1.39Å | 1.42Å | Aromatic |
| C41 | C40 | sing | 1.52Å | 1.53Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C51 | C45 | doub | 1.40Å | 1.41Å | Aromatic |
| N48 | C47 | doub | 1.35Å | 1.34Å | Aromatic |
| C29 | C30 | doub | 1.40Å | 1.41Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C40 | O46 | doub | 1.24Å | 1.21Å | |
| C31 | C27 | doub | 1.36Å | 1.40Å | Aromatic |
| C26 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C30 | C27 | sing | 1.37Å | 1.38Å | Aromatic |
| C42 | S43 | sing | 1.81Å | 1.72Å | |
| C47 | C45 | sing | 1.39Å | 1.43Å | Aromatic |
| C45 | C44 | sing | 1.52Å | 1.54Å | |
| C25 | C22 | sing | 1.37Å | 1.41Å | Aromatic |
| C44 | S43 | sing | 1.82Å | 1.72Å | |
| C19 | H1 | sing | 0.94Å | 1.08Å | |
| C20 | H2 | sing | 0.94Å | 1.08Å | |
| C22 | H3 | sing | 0.94Å | 1.08Å | |
| C24 | H4 | sing | 0.94Å | 1.08Å | |
| C01 | H5 | sing | 0.94Å | 1.08Å | |
| C02 | H6 | sing | 0.94Å | 1.08Å | |
| C04 | H7 | sing | 0.94Å | 1.08Å | |
| C05 | H8 | sing | 0.94Å | 1.08Å | |
| C09 | H9 | sing | 0.94Å | 1.08Å | |
| C11 | H10 | sing | 0.94Å | 1.08Å | |
| C12 | H11 | sing | 0.94Å | 1.08Å | |
| C13 | H12 | sing | 0.94Å | 1.08Å | |
| C16 | H13 | sing | 0.93Å | 1.08Å | |
| C17 | H14 | sing | 0.91Å | 1.08Å | |
| C25 | H15 | sing | 0.94Å | 1.08Å | |
| C26 | H16 | sing | 0.94Å | 1.08Å | |
| C27 | H17 | sing | 0.94Å | 1.08Å | |
| C28 | H18 | sing | 0.93Å | 1.08Å | |
| C30 | H19 | sing | 0.94Å | 1.08Å | |
| C31 | H20 | sing | 0.94Å | 1.08Å | |
| C35 | H21 | sing | 0.94Å | 1.08Å | |
| C36 | H22 | sing | 0.94Å | 1.08Å | |
| C37 | H23 | sing | 0.95Å | 1.08Å | |
| C38 | H24 | sing | 0.98Å | 1.10Å | |
| C38 | H25 | sing | 0.98Å | 1.10Å | |
| C42 | H26 | sing | 0.98Å | 1.10Å | |
| C42 | H27 | sing | 0.98Å | 1.10Å | |
| C47 | H28 | sing | 0.95Å | 1.08Å | |
| C49 | H29 | sing | 0.94Å | 1.08Å | |
| C50 | H30 | sing | 0.94Å | 1.08Å | |
| N39 | H31 | sing | 0.89Å | 1.00Å | |
| C41 | H32 | sing | 0.98Å | 1.10Å | |
| C41 | H33 | sing | 0.98Å | 1.10Å | |
| C44 | H34 | sing | 0.98Å | 1.10Å | |
| C44 | H35 | sing | 0.98Å | 1.10Å | |
| C51 | H36 | sing | 0.94Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C08 | 120.2° | 118.9° |
| C11 | C12 | C09 | 118.4° | 118.8° |
| C12 | C11 | H10 | 119.9° | 120.2° |
| C11 | C12 | H11 | 120.8° | 120.4° |
| C11 | C08 | C06 | 123.3° | 120.7° |
| C11 | C08 | N10 | 122.7° | 122.4° |
| C08 | C11 | H10 | 119.9° | 119.9° |
| C12 | C09 | C13 | 117.5° | 118.1° |
| C12 | C09 | H9 | 121.2° | 121.0° |
| C09 | C12 | H11 | 120.8° | 120.8° |
| C05 | C02 | C06 | 122.3° | 120.3° |
| C02 | C05 | C04 | 117.0° | 118.7° |
| C05 | C02 | H6 | 118.9° | 119.1° |
| C02 | C05 | H8 | 121.5° | 120.3° |
| C02 | C06 | C08 | 126.1° | 116.2° |
| C02 | C06 | C03 | 122.4° | 120.5° |
| C06 | C02 | H6 | 118.8° | 119.7° |
| C05 | C04 | C01 | 120.6° | 118.9° |
| C05 | C04 | H7 | 119.7° | 120.3° |
| C04 | C05 | H8 | 121.5° | 121.0° |
| C06 | C08 | N10 | 114.0° | 114.6° |
| C08 | C06 | C03 | 111.5° | 120.0° |
| C08 | N10 | C13 | 115.8° | 116.0° |
| C08 | N10 | IR07 | 118.0° | 94.1° |
| C06 | C03 | C01 | 114.2° | 114.7° |
| C06 | C03 | IR07 | 116.3° | 86.6° |
| C09 | C13 | N10 | 125.2° | 123.4° |
| C13 | C09 | H9 | 121.3° | 120.9° |
| C09 | C13 | H12 | 117.4° | 118.4° |
| C04 | C01 | C03 | 123.5° | 122.9° |
| C04 | C01 | H5 | 118.3° | 117.0° |
| C01 | C04 | H7 | 119.7° | 120.8° |
| C17 | C20 | C16 | 120.5° | 118.4° |
| C20 | C17 | C15 | 123.5° | 126.9° |
| C17 | C20 | H2 | 119.8° | 120.8° |
| C20 | C17 | H14 | 118.2° | 112.8° |
| C20 | C16 | C19 | 116.9° | 119.6° |
| C16 | C20 | H2 | 119.8° | 120.8° |
| C20 | C16 | H13 | 121.5° | 119.9° |
| C17 | C15 | C18 | 114.2° | 113.7° |
| C17 | C15 | IR07 | 129.5° | 134.1° |
| C15 | C17 | H14 | 118.3° | 120.3° |
| C13 | N10 | IR07 | 125.8° | 138.6° |
| N10 | C13 | H12 | 117.4° | 117.9° |
| N10 | IR07 | C03 | 80.0° | 91.6° |
| N10 | IR07 | C15 | 82.5° | 86.1° |
| N10 | IR07 | N34 | 108.4° | 124.8° |
| N10 | IR07 | N14 | 88.3° | 73.4° |
| N10 | IR07 | N23 | 162.7° | 164.0° |
| C16 | C19 | C18 | 122.8° | 121.5° |
| C16 | C19 | H1 | 118.6° | 118.1° |
| C19 | C16 | H13 | 121.5° | 120.5° |
| C01 | C03 | IR07 | 129.4° | 124.3° |
| C03 | C01 | H5 | 118.3° | 119.2° |
| C03 | IR07 | C15 | 84.4° | 84.1° |
| C03 | IR07 | N34 | 88.8° | 141.7° |
| C03 | IR07 | N14 | 156.7° | 125.5° |
| C03 | IR07 | N23 | 96.9° | 76.3° |
| C18 | C15 | IR07 | 116.1° | 110.7° |
| C15 | C18 | C19 | 122.0° | 119.7° |
| C15 | C18 | C21 | 111.8° | 118.4° |
| C15 | IR07 | N34 | 165.9° | 107.7° |
| C15 | IR07 | N14 | 114.1° | 143.4° |
| C15 | IR07 | N23 | 80.2° | 82.3° |
| C19 | C18 | C21 | 126.2° | 121.5° |
| C18 | C19 | H1 | 118.6° | 120.4° |
| C18 | C21 | N23 | 114.1° | 115.0° |
| C18 | C21 | C24 | 121.9° | 123.2° |
| N34 | IR07 | N14 | 75.9° | 64.1° |
| N34 | IR07 | N23 | 88.4° | 69.6° |
| IR07 | N34 | C37 | 124.9° | 120.8° |
| IR07 | N34 | C32 | 122.5° | 116.6° |
| N14 | IR07 | N23 | 100.0° | 122.1° |
| IR07 | N14 | C28 | 130.7° | 122.8° |
| IR07 | N14 | C29 | 118.0° | 113.3° |
| IR07 | N23 | C21 | 117.6° | 111.2° |
| IR07 | N23 | C26 | 126.8° | 130.3° |
| N34 | C37 | C33 | 127.6° | 123.8° |
| C37 | N34 | C32 | 112.4° | 117.3° |
| N34 | C37 | H23 | 116.2° | 117.7° |
| C37 | C33 | C38 | 116.7° | 121.2° |
| C37 | C33 | C36 | 119.2° | 116.9° |
| C33 | C37 | H23 | 116.2° | 117.6° |
| C49 | C50 | C51 | 120.5° | 118.2° |
| C50 | C49 | N48 | 122.2° | 123.2° |
| C50 | C49 | H29 | 118.9° | 118.5° |
| C49 | C50 | H30 | 119.7° | 121.0° |
| C50 | C51 | C45 | 115.8° | 120.8° |
| C51 | C50 | H30 | 119.7° | 120.8° |
| C50 | C51 | H36 | 122.1° | 118.8° |
| C33 | C38 | N39 | 125.6° | 114.5° |
| C38 | C33 | C36 | 124.1° | 121.8° |
| C33 | C38 | H24 | 105.3° | 109.0° |
| C33 | C38 | H25 | 105.3° | 108.4° |
| C38 | N39 | C40 | 119.1° | 125.0° |
| N39 | C38 | H24 | 105.3° | 108.3° |
| N39 | C38 | H25 | 105.3° | 108.9° |
| C38 | N39 | H31 | 120.5° | 115.6° |
| C49 | N48 | C47 | 118.7° | 118.3° |
| N48 | C49 | H29 | 118.9° | 118.3° |
| N34 | C32 | C29 | 110.4° | 111.7° |
| N34 | C32 | C35 | 124.7° | 122.6° |
| C33 | C36 | C35 | 114.0° | 120.2° |
| C33 | C36 | H22 | 123.0° | 120.1° |
| N23 | C21 | C24 | 124.0° | 121.7° |
| C21 | N23 | C26 | 115.4° | 116.6° |
| C21 | C24 | C25 | 120.7° | 119.6° |
| C21 | C24 | H4 | 119.6° | 120.6° |
| C28 | N14 | C29 | 111.0° | 114.4° |
| N14 | C28 | C31 | 123.7° | 125.0° |
| N14 | C28 | H18 | 118.2° | 118.5° |
| N14 | C29 | C32 | 113.1° | 112.6° |
| N14 | C29 | C30 | 127.8° | 123.6° |
| N23 | C26 | C22 | 123.4° | 124.1° |
| N23 | C26 | H16 | 118.3° | 117.6° |
| C28 | C31 | C27 | 124.4° | 118.8° |
| C31 | C28 | H18 | 118.2° | 116.4° |
| C28 | C31 | H20 | 117.8° | 120.5° |
| N39 | C40 | C41 | 131.9° | 118.0° |
| N39 | C40 | O46 | 116.0° | 122.5° |
| C40 | N39 | H31 | 120.5° | 119.4° |
| C29 | C32 | C35 | 124.9° | 125.7° |
| C32 | C29 | C30 | 119.1° | 123.8° |
| C32 | C35 | C36 | 122.0° | 118.5° |
| C32 | C35 | H21 | 119.0° | 121.4° |
| C40 | C41 | C42 | 112.1° | 113.8° |
| C41 | C40 | O46 | 112.1° | 119.4° |
| C40 | C41 | H32 | 108.8° | 109.7° |
| C40 | C41 | H33 | 108.8° | 108.9° |
| C41 | C42 | S43 | 118.1° | 113.8° |
| C41 | C42 | H26 | 107.2° | 108.8° |
| C41 | C42 | H27 | 107.2° | 108.8° |
| C42 | C41 | H32 | 108.8° | 109.1° |
| C42 | C41 | H33 | 108.8° | 108.9° |
| C51 | C45 | C47 | 121.0° | 116.8° |
| C51 | C45 | C44 | 126.3° | 122.1° |
| C45 | C51 | H36 | 122.1° | 120.4° |
| N48 | C47 | C45 | 121.8° | 122.8° |
| N48 | C47 | H28 | 119.1° | 118.5° |
| C29 | C30 | C27 | 120.5° | 119.3° |
| C29 | C30 | H19 | 119.7° | 120.8° |
| C24 | C25 | C22 | 115.5° | 119.3° |
| C25 | C24 | H4 | 119.7° | 119.8° |
| C24 | C25 | H15 | 122.2° | 120.2° |
| C36 | C35 | H21 | 119.0° | 120.1° |
| C35 | C36 | H22 | 123.0° | 119.7° |
| C31 | C27 | C30 | 112.5° | 118.9° |
| C31 | C27 | H17 | 123.7° | 120.7° |
| C27 | C31 | H20 | 117.8° | 120.7° |
| C26 | C22 | C25 | 120.9° | 118.6° |
| C26 | C22 | H3 | 119.6° | 120.7° |
| C22 | C26 | H16 | 118.3° | 118.2° |
| C30 | C27 | H17 | 123.8° | 120.4° |
| C27 | C30 | H19 | 119.7° | 119.9° |
| C42 | S43 | C44 | 115.0° | 103.9° |
| S43 | C42 | H26 | 107.3° | 108.7° |
| S43 | C42 | H27 | 107.3° | 108.8° |
| C47 | C45 | C44 | 112.6° | 121.2° |
| C45 | C47 | H28 | 119.1° | 118.7° |
| C45 | C44 | S43 | 113.7° | 121.4° |
| C45 | C44 | H34 | 108.4° | 102.9° |
| C45 | C44 | H35 | 108.4° | 101.8° |
| C25 | C22 | H3 | 119.5° | 120.7° |
| C22 | C25 | H15 | 122.3° | 120.5° |
| S43 | C44 | H34 | 108.4° | 110.5° |
| S43 | C44 | H35 | 108.4° | 110.3° |
| H24 | C38 | H25 | 109.5° | 107.5° |
| H26 | C42 | H27 | 109.5° | 107.8° |
| H32 | C41 | H33 | 109.5° | 106.2° |
| H34 | C44 | H35 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C08 | H10 | 180.0° | 167.9° |
| C11 | C12 | C09 | H11 | 180.0° | 178.4° |
| C12 | C11 | C08 | C06 | 179.2° | 178.9° |
| C12 | C11 | C08 | N10 | 2.4° | 17.1° |
| C11 | C12 | C09 | C13 | 0.5° | 1.4° |
| C11 | C12 | C09 | H9 | 179.5° | 176.0° |
| C08 | C11 | C12 | C09 | 0.3° | 7.6° |
| C11 | C08 | C06 | C02 | 0.9° | 111.3° |
| C11 | C08 | C06 | N10 | 178.6° | 163.1° |
| C11 | C08 | C06 | C03 | 178.3° | 89.2° |
| C11 | C08 | N10 | C13 | 4.3° | 18.8° |
| C11 | C08 | N10 | IR07 | 178.0° | 131.9° |
| C08 | C11 | C12 | H11 | 179.7° | 174.0° |
| C12 | C09 | C13 | H9 | 180.0° | 177.3° |
| C12 | C09 | C13 | N10 | 2.8° | 3.7° |
| C09 | C12 | C11 | H10 | 179.7° | 175.5° |
| C12 | C09 | C13 | H12 | 177.2° | 177.7° |
| C05 | C02 | C06 | H6 | 180.0° | 168.3° |
| C02 | C05 | C04 | H8 | 180.0° | 178.1° |
| C05 | C02 | C06 | C08 | 179.5° | 178.8° |
| C05 | C02 | C06 | C03 | 1.4° | 19.4° |
| C02 | C05 | C04 | C01 | 0.7° | 3.9° |
| C02 | C05 | C04 | H7 | 179.4° | 178.1° |
| C06 | C02 | C05 | C04 | 0.1° | 8.7° |
| C02 | C06 | C08 | C03 | 179.2° | 159.5° |
| C02 | C06 | C08 | N10 | 177.7° | 85.6° |
| C02 | C06 | C03 | C01 | 1.7° | 23.5° |
| C02 | C06 | C03 | IR07 | 179.2° | 102.9° |
| C06 | C02 | C05 | H8 | 179.9° | 173.3° |
| C05 | C04 | C01 | H7 | 180.0° | 178.0° |
| C05 | C04 | C01 | C03 | 0.2° | 9.7° |
| C05 | C04 | C01 | H5 | 179.7° | 178.7° |
| C04 | C05 | C02 | H6 | 179.9° | 177.0° |
| C06 | C08 | N10 | C13 | 177.1° | 178.4° |
| C06 | C08 | N10 | IR07 | 3.4° | 30.9° |
| C08 | C06 | C03 | C01 | 179.1° | 177.8° |
| C08 | C06 | C03 | IR07 | 1.6° | 55.8° |
| C08 | C06 | C02 | H6 | 0.4° | 12.9° |
| C06 | C08 | C11 | H10 | 0.8° | 13.2° |
| N10 | C08 | C06 | C03 | 3.2° | 73.9° |
| C08 | N10 | C13 | C09 | 4.6° | 12.1° |
| C08 | N10 | C13 | IR07 | 173.2° | 132.4° |
| C08 | N10 | IR07 | C03 | 2.0° | 2.9° |
| C08 | N10 | IR07 | C15 | 83.6° | 81.1° |
| C08 | N10 | IR07 | N34 | 87.3° | 170.0° |
| C08 | N10 | IR07 | N14 | 161.8° | 129.6° |
| C08 | N10 | IR07 | N23 | 78.9° | 37.7° |
| N10 | C08 | C11 | H10 | 177.7° | 174.9° |
| C08 | N10 | C13 | H12 | 175.4° | 173.8° |
| C06 | C03 | C01 | C04 | 0.9° | 19.2° |
| C06 | C03 | IR07 | N10 | 0.1° | 25.6° |
| C06 | C03 | C01 | IR07 | 177.1° | 103.6° |
| C06 | C03 | IR07 | C15 | 83.3° | 111.5° |
| C06 | C03 | IR07 | N34 | 109.0° | 137.3° |
| C06 | C03 | IR07 | N14 | 61.0° | 45.2° |
| C06 | C03 | IR07 | N23 | 162.8° | 165.0° |
| C06 | C03 | C01 | H5 | 179.1° | 172.0° |
| C03 | C06 | C02 | H6 | 178.7° | 172.3° |
| C09 | C13 | N10 | H12 | 180.0° | 174.0° |
| C09 | C13 | N10 | IR07 | 177.8° | 120.3° |
| C13 | C09 | C12 | H11 | 179.5° | 179.8° |
| C04 | C01 | C03 | H5 | 180.0° | 168.8° |
| C04 | C01 | C03 | IR07 | 178.0° | 84.4° |
| C01 | C04 | C05 | H8 | 179.3° | 178.0° |
| C17 | C20 | C16 | H2 | 180.0° | 179.7° |
| C20 | C17 | C15 | H14 | 180.0° | 178.9° |
| C17 | C20 | C16 | C19 | 0.0° | 0.2° |
| C20 | C17 | C15 | C18 | 2.1° | 0.4° |
| C20 | C17 | C15 | IR07 | 177.3° | 164.0° |
| C17 | C20 | C16 | H13 | 179.9° | 179.5° |
| C16 | C20 | C17 | C15 | 1.1° | 1.2° |
| C20 | C16 | C19 | H13 | 180.0° | 179.7° |
| C20 | C16 | C19 | C18 | 0.0° | 2.3° |
| C20 | C16 | C19 | H1 | 180.0° | 179.7° |
| C16 | C20 | C17 | H14 | 178.9° | 179.9° |
| C17 | C15 | IR07 | N10 | 0.2° | 27.1° |
| C17 | C15 | IR07 | C03 | 80.8° | 119.1° |
| C17 | C15 | C18 | IR07 | 175.9° | 168.2° |
| C17 | C15 | C18 | C19 | 2.2° | 2.9° |
| C17 | C15 | C18 | C21 | 179.0° | 176.0° |
| C17 | C15 | IR07 | N34 | 142.2° | 98.3° |
| C17 | C15 | IR07 | N14 | 84.6° | 28.1° |
| C17 | C15 | IR07 | N23 | 178.8° | 163.9° |
| C15 | C17 | C20 | H2 | 178.9° | 179.2° |
| C13 | N10 | IR07 | C03 | 175.0° | 141.2° |
| C13 | N10 | IR07 | C15 | 89.4° | 57.2° |
| C13 | N10 | IR07 | N34 | 99.7° | 51.7° |
| C13 | N10 | IR07 | N14 | 25.2° | 92.1° |
| C13 | N10 | IR07 | N23 | 94.1° | 100.6° |
| N10 | C13 | C09 | H9 | 177.2° | 173.6° |
| N10 | IR07 | C03 | C01 | 177.0° | 143.3° |
| N10 | IR07 | C03 | C15 | 83.4° | 85.9° |
| N10 | IR07 | C03 | N34 | 109.0° | 162.8° |
| N10 | IR07 | C03 | N14 | 60.9° | 70.7° |
| N10 | IR07 | C03 | N23 | 162.8° | 169.4° |
| N10 | IR07 | C15 | C18 | 174.9° | 168.1° |
| N10 | IR07 | C15 | N34 | 142.0° | 125.3° |
| N10 | IR07 | C15 | N14 | 84.8° | 55.2° |
| N10 | IR07 | C15 | N23 | 178.6° | 169.0° |
| N10 | IR07 | N34 | N14 | 83.3° | 43.7° |
| N10 | IR07 | N34 | N23 | 175.9° | 172.1° |
| N10 | IR07 | N14 | N23 | 164.7° | 175.9° |
| N10 | IR07 | N34 | C37 | 101.1° | 124.1° |
| N10 | IR07 | N34 | C32 | 84.2° | 82.0° |
| N10 | IR07 | N23 | C21 | 1.1° | 33.8° |
| N10 | IR07 | N14 | C28 | 65.9° | 33.3° |
| N10 | IR07 | N14 | C29 | 107.8° | 177.7° |
| N10 | IR07 | N23 | C26 | 174.7° | 130.0° |
| IR07 | N10 | C13 | H12 | 2.2° | 53.7° |
| C16 | C19 | C18 | C15 | 1.3° | 4.0° |
| C16 | C19 | C18 | H1 | 180.0° | 177.3° |
| C16 | C19 | C18 | C21 | 179.9° | 176.8° |
| C19 | C16 | C20 | H2 | 180.0° | 179.9° |
| C01 | C03 | IR07 | C15 | 99.6° | 130.8° |
| C01 | C03 | IR07 | N34 | 68.0° | 19.5° |
| C01 | C03 | IR07 | N14 | 116.1° | 72.6° |
| C01 | C03 | IR07 | N23 | 20.2° | 47.3° |
| C03 | C01 | C04 | H7 | 179.8° | 172.3° |
| C03 | IR07 | C15 | C18 | 94.4° | 76.1° |
| C03 | IR07 | C15 | N34 | 61.4° | 142.6° |
| C03 | IR07 | C15 | N14 | 165.4° | 147.2° |
| C03 | IR07 | C15 | N23 | 98.0° | 77.0° |
| C03 | IR07 | N34 | N14 | 162.4° | 115.2° |
| C03 | IR07 | N34 | N23 | 96.9° | 28.9° |
| C03 | IR07 | N14 | N23 | 135.8° | 96.0° |
| C03 | IR07 | N34 | C37 | 22.1° | 76.9° |
| C03 | IR07 | N34 | C32 | 163.2° | 76.9° |
| C03 | IR07 | N23 | C21 | 79.5° | 75.9° |
| C03 | IR07 | N14 | C28 | 125.3° | 46.6° |
| C03 | IR07 | N14 | C29 | 48.4° | 97.8° |
| C03 | IR07 | N23 | C26 | 96.4° | 88.0° |
| IR07 | C03 | C01 | H5 | 2.0° | 84.4° |
| C15 | C18 | C19 | C21 | 178.7° | 172.8° |
| C18 | C15 | IR07 | N34 | 32.9° | 66.6° |
| C18 | C15 | IR07 | N14 | 100.3° | 136.7° |
| C18 | C15 | IR07 | N23 | 3.6° | 0.9° |
| C15 | C18 | C21 | N23 | 0.2° | 17.0° |
| C15 | C18 | C21 | C24 | 178.8° | 161.1° |
| C15 | C18 | C19 | H1 | 178.7° | 178.7° |
| C18 | C15 | C17 | H14 | 177.8° | 178.4° |
| IR07 | C15 | C18 | C19 | 178.1° | 165.3° |
| IR07 | C15 | C18 | C21 | 3.1° | 7.8° |
| C15 | IR07 | N34 | N14 | 136.7° | 141.5° |
| C15 | IR07 | N34 | N23 | 35.9° | 74.4° |
| C15 | IR07 | N14 | N23 | 83.7° | 125.4° |
| C15 | IR07 | N34 | C37 | 38.9° | 26.4° |
| C15 | IR07 | N34 | C32 | 135.8° | 179.8° |
| C15 | IR07 | N23 | C21 | 3.6° | 9.9° |
| C15 | IR07 | N14 | C28 | 15.2° | 92.0° |
| C15 | IR07 | N14 | C29 | 171.1° | 123.6° |
| C15 | IR07 | N23 | C26 | 179.5° | 173.7° |
| IR07 | C15 | C17 | H14 | 2.6° | 17.1° |
| C19 | C18 | C21 | N23 | 179.0° | 155.9° |
| C19 | C18 | C21 | C24 | 0.0° | 26.0° |
| C18 | C19 | C16 | H13 | 180.0° | 178.0° |
| C18 | C21 | N23 | IR07 | 2.9° | 16.5° |
| C18 | C21 | N23 | C24 | 179.0° | 178.1° |
| C18 | C21 | N23 | C26 | 179.3° | 177.3° |
| C18 | C21 | C24 | C25 | 179.2° | 179.4° |
| C21 | C18 | C19 | H1 | 0.1° | 5.9° |
| C18 | C21 | C24 | H4 | 0.8° | 0.4° |
| N34 | IR07 | N14 | N23 | 85.7° | 40.4° |
| IR07 | N34 | C37 | C32 | 175.2° | 153.6° |
| IR07 | N34 | C37 | C33 | 178.4° | 143.1° |
| N34 | IR07 | N23 | C21 | 168.0° | 122.1° |
| N34 | IR07 | N14 | C28 | 175.4° | 176.9° |
| N34 | IR07 | N14 | C29 | 1.7° | 38.7° |
| N34 | IR07 | N23 | C26 | 7.8° | 74.1° |
| IR07 | N34 | C32 | C29 | 2.9° | 33.2° |
| IR07 | N34 | C32 | C35 | 179.2° | 148.2° |
| IR07 | N34 | C37 | H23 | 1.6° | 25.8° |
| N14 | IR07 | N34 | C37 | 175.6° | 167.9° |
| N14 | IR07 | N34 | C32 | 0.9° | 38.3° |
| N14 | IR07 | N23 | C21 | 116.6° | 160.5° |
| IR07 | N14 | C28 | C29 | 174.0° | 144.0° |
| N14 | IR07 | N23 | C26 | 67.5° | 35.6° |
| IR07 | N14 | C28 | C31 | 175.9° | 140.8° |
| IR07 | N14 | C29 | C32 | 3.7° | 36.3° |
| IR07 | N14 | C29 | C30 | 178.4° | 146.0° |
| IR07 | N14 | C28 | H18 | 4.1° | 35.3° |
| N23 | IR07 | N34 | C37 | 74.8° | 48.0° |
| N23 | IR07 | N34 | C32 | 99.9° | 105.8° |
| IR07 | N23 | C21 | C26 | 176.3° | 166.3° |
| IR07 | N23 | C21 | C24 | 178.1° | 161.6° |
| N23 | IR07 | N14 | C28 | 98.9° | 142.7° |
| N23 | IR07 | N14 | C29 | 87.4° | 1.7° |
| IR07 | N23 | C26 | C22 | 176.9° | 158.3° |
| IR07 | N23 | C26 | H16 | 3.1° | 17.4° |
| N34 | C37 | C33 | H23 | 180.0° | 169.0° |
| N34 | C37 | C33 | C38 | 177.6° | 174.4° |
| N34 | C37 | C33 | C36 | 1.0° | 8.6° |
| C37 | N34 | C32 | C29 | 178.3° | 172.1° |
| C37 | N34 | C32 | C35 | 3.8° | 6.6° |
| C37 | C33 | C38 | C36 | 178.5° | 176.9° |
| C37 | C33 | C38 | N39 | 120.1° | 48.7° |
| C33 | C37 | N34 | C32 | 3.2° | 10.5° |
| C37 | C33 | C36 | C35 | 0.7° | 2.6° |
| C37 | C33 | C36 | H22 | 179.3° | 177.6° |
| C37 | C33 | C38 | H24 | 117.7° | 170.3° |
| C37 | C33 | C38 | H25 | 2.0° | 73.0° |
| C49 | C50 | C51 | H30 | 180.0° | 180.0° |
| C50 | C49 | N48 | H29 | 180.0° | 180.0° |
| C49 | C50 | C51 | C45 | 0.2° | 0.1° |
| C50 | C49 | N48 | C47 | 0.8° | 0.0° |
| C49 | C50 | C51 | H36 | 179.8° | 179.8° |
| C51 | C50 | C49 | N48 | 0.2° | 0.0° |
| C50 | C51 | C45 | H36 | 180.0° | 179.7° |
| C50 | C51 | C45 | C47 | 0.7° | 0.1° |
| C50 | C51 | C45 | C44 | 177.7° | 180.0° |
| C51 | C50 | C49 | H29 | 179.8° | 179.9° |
| C33 | C38 | N39 | H24 | 122.2° | 121.9° |
| C33 | C38 | N39 | H25 | 122.1° | 121.5° |
| C33 | C38 | N39 | C40 | 98.0° | 154.2° |
| C38 | C33 | C36 | C35 | 179.2° | 179.7° |
| C38 | C33 | C36 | H22 | 0.8° | 0.6° |
| C38 | C33 | C37 | H23 | 2.4° | 5.4° |
| C33 | C38 | H24 | H25 | 112.8° | 117.3° |
| C33 | C38 | N39 | H31 | 82.0° | 27.7° |
| N39 | C38 | C33 | C36 | 61.4° | 134.4° |
| C38 | N39 | C40 | H31 | 180.0° | 178.0° |
| C38 | N39 | C40 | C41 | 1.5° | 175.5° |
| C38 | N39 | C40 | O46 | 180.0° | 6.1° |
| N39 | C38 | H24 | H25 | 112.8° | 117.5° |
| C49 | N48 | C47 | C45 | 1.3° | 0.0° |
| C49 | N48 | C47 | H28 | 178.7° | 179.9° |
| N48 | C49 | C50 | H30 | 179.8° | 180.0° |
| N34 | C32 | C29 | N14 | 4.1° | 3.1° |
| N34 | C32 | C29 | C35 | 177.9° | 178.6° |
| N34 | C32 | C29 | C30 | 177.8° | 179.2° |
| N34 | C32 | C35 | C36 | 2.5° | 1.2° |
| N34 | C32 | C35 | H21 | 177.5° | 177.6° |
| C32 | N34 | C37 | H23 | 176.8° | 179.5° |
| C33 | C36 | C35 | C32 | 0.1° | 0.8° |
| C33 | C36 | C35 | H22 | 180.0° | 179.8° |
| C33 | C36 | C35 | H21 | 179.9° | 179.6° |
| C36 | C33 | C37 | H23 | 179.0° | 177.6° |
| C36 | C33 | C38 | H24 | 60.8° | 12.8° |
| C36 | C33 | C38 | H25 | 176.5° | 103.9° |
| N23 | C21 | C24 | C25 | 1.9° | 2.7° |
| C21 | N23 | C26 | C22 | 1.0° | 4.9° |
| N23 | C21 | C24 | H4 | 178.1° | 178.3° |
| C21 | N23 | C26 | H16 | 179.0° | 179.5° |
| C24 | C21 | N23 | C26 | 1.8° | 4.6° |
| C21 | C24 | C25 | H4 | 180.0° | 179.0° |
| C21 | C24 | C25 | C22 | 1.1° | 0.6° |
| C21 | C24 | C25 | H15 | 178.9° | 179.5° |
| N14 | C28 | C31 | H18 | 180.0° | 176.2° |
| C28 | N14 | C29 | C32 | 178.6° | 176.2° |
| C28 | N14 | C29 | C30 | 3.5° | 1.5° |
| N14 | C28 | C31 | C27 | 0.8° | 3.0° |
| N14 | C28 | C31 | H20 | 179.2° | 177.7° |
| C29 | N14 | C28 | C31 | 1.9° | 3.2° |
| N14 | C29 | C32 | C30 | 178.1° | 177.7° |
| N14 | C29 | C32 | C35 | 178.0° | 175.5° |
| N14 | C29 | C30 | C27 | 2.4° | 0.5° |
| C29 | N14 | C28 | H18 | 178.1° | 179.4° |
| N14 | C29 | C30 | H19 | 177.6° | 179.6° |
| N23 | C26 | C22 | H16 | 180.0° | 175.7° |
| N23 | C26 | C22 | C25 | 0.3° | 3.0° |
| N23 | C26 | C22 | H3 | 179.7° | 177.2° |
| C28 | C31 | C27 | H20 | 180.0° | 179.4° |
| C28 | C31 | C27 | C30 | 2.0° | 0.7° |
| C28 | C31 | C27 | H17 | 177.9° | 179.3° |
| N39 | C40 | C41 | O46 | 178.5° | 178.4° |
| N39 | C40 | C41 | C42 | 158.6° | 115.3° |
| C40 | N39 | C38 | H24 | 24.2° | 83.9° |
| C40 | N39 | C38 | H25 | 139.9° | 32.8° |
| N39 | C40 | C41 | H32 | 38.2° | 7.2° |
| N39 | C40 | C41 | H33 | 81.0° | 123.1° |
| C29 | C32 | C35 | C36 | 179.9° | 177.2° |
| C32 | C29 | C30 | C27 | 179.8° | 177.9° |
| C32 | C29 | C30 | H19 | 0.2° | 3.0° |
| C29 | C32 | C35 | H21 | 0.1° | 3.9° |
| C35 | C32 | C29 | C30 | 0.1° | 2.2° |
| C32 | C35 | C36 | H21 | 180.0° | 178.9° |
| C32 | C35 | C36 | H22 | 179.9° | 179.0° |
| C40 | C41 | C42 | H32 | 120.4° | 122.9° |
| C40 | C41 | C42 | H33 | 120.4° | 121.6° |
| C40 | C41 | C42 | S43 | 88.7° | 172.2° |
| C40 | C41 | C42 | H26 | 150.0° | 66.5° |
| C40 | C41 | C42 | H27 | 32.5° | 50.7° |
| C41 | C40 | N39 | H31 | 178.5° | 6.5° |
| C40 | C41 | H32 | H33 | 118.8° | 117.5° |
| C42 | C41 | C40 | O46 | 19.9° | 66.3° |
| C41 | C42 | S43 | H26 | 121.2° | 121.4° |
| C41 | C42 | S43 | H27 | 121.2° | 121.5° |
| C41 | C42 | S43 | C44 | 101.6° | 171.3° |
| C41 | C42 | H26 | H27 | 116.0° | 117.8° |
| C42 | C41 | H32 | H33 | 118.8° | 117.2° |
| C51 | C45 | C47 | N48 | 1.3° | 0.1° |
| C51 | C45 | C47 | C44 | 177.4° | 179.9° |
| C51 | C45 | C44 | S43 | 92.1° | 112.6° |
| C51 | C45 | C47 | H28 | 178.6° | 180.0° |
| C45 | C51 | C50 | H30 | 179.8° | 179.9° |
| C51 | C45 | C44 | H34 | 28.5° | 11.6° |
| C51 | C45 | C44 | H35 | 147.2° | 124.6° |
| N48 | C47 | C45 | H28 | 180.0° | 179.9° |
| N48 | C47 | C45 | C44 | 178.7° | 180.0° |
| C47 | N48 | C49 | H29 | 179.2° | 180.0° |
| C29 | C30 | C27 | C31 | 0.6° | 0.9° |
| C29 | C30 | C27 | H19 | 180.0° | 179.1° |
| C29 | C30 | C27 | H17 | 179.4° | 179.1° |
| C24 | C25 | C22 | C26 | 0.3° | 0.7° |
| C24 | C25 | C22 | H15 | 180.0° | 179.8° |
| C24 | C25 | C22 | H3 | 179.7° | 179.4° |
| O46 | C40 | N39 | H31 | 0.0° | 171.9° |
| O46 | C40 | C41 | H32 | 140.3° | 171.2° |
| O46 | C40 | C41 | H33 | 100.5° | 55.4° |
| C31 | C27 | C30 | H17 | 180.0° | 180.0° |
| C27 | C31 | C28 | H18 | 179.2° | 179.2° |
| C31 | C27 | C30 | H19 | 179.4° | 180.0° |
| C26 | C22 | C25 | H3 | 180.0° | 179.9° |
| C26 | C22 | C25 | H15 | 179.7° | 179.4° |
| C30 | C27 | C31 | H20 | 178.0° | 179.9° |
| C42 | S43 | C44 | C45 | 3.8° | 164.8° |
| S43 | C42 | H26 | H27 | 116.1° | 117.7° |
| S43 | C42 | C41 | H32 | 31.7° | 49.3° |
| S43 | C42 | C41 | H33 | 150.9° | 66.2° |
| C42 | S43 | C44 | H34 | 124.4° | 44.2° |
| C42 | S43 | C44 | H35 | 116.8° | 76.4° |
| C47 | C45 | C44 | S43 | 85.1° | 67.3° |
| C47 | C45 | C44 | H34 | 154.3° | 168.5° |
| C47 | C45 | C44 | H35 | 35.5° | 55.5° |
| C47 | C45 | C51 | H36 | 179.3° | 179.8° |
| C45 | C44 | S43 | H34 | 120.6° | 120.6° |
| C45 | C44 | S43 | H35 | 120.6° | 118.7° |
| C44 | C45 | C47 | H28 | 1.3° | 0.1° |
| C45 | C44 | H34 | H35 | 118.1° | 107.5° |
| C44 | C45 | C51 | H36 | 2.3° | 0.2° |
| C22 | C25 | C24 | H4 | 178.9° | 179.6° |
| C25 | C22 | C26 | H16 | 179.7° | 178.6° |
| C44 | S43 | C42 | H26 | 19.6° | 67.2° |
| C44 | S43 | C42 | H27 | 137.2° | 49.9° |
| S43 | C44 | H34 | H35 | 118.1° | 121.4° |
| H1 | C19 | C16 | H13 | 0.0° | 0.6° |
| H2 | C20 | C16 | H13 | 0.1° | 0.2° |
| H2 | C20 | C17 | H14 | 1.1° | 0.2° |
| H3 | C22 | C25 | H15 | 0.3° | 0.4° |
| H3 | C22 | C26 | H16 | 0.3° | 1.5° |
| H4 | C24 | C25 | H15 | 1.1° | 0.6° |
| H5 | C01 | C04 | H7 | 0.2° | 3.3° |
| H6 | C02 | C05 | H8 | 0.1° | 4.9° |
| H7 | C04 | C05 | H8 | 0.6° | 0.0° |
| H9 | C09 | C12 | H11 | 0.5° | 2.4° |
| H9 | C09 | C13 | H12 | 2.8° | 0.4° |
| H10 | C11 | C12 | H11 | 0.3° | 6.1° |
| H17 | C27 | C30 | H19 | 0.6° | 0.0° |
| H17 | C27 | C31 | H20 | 2.1° | 0.1° |
| H18 | C28 | C31 | H20 | 0.8° | 1.5° |
| H21 | C35 | C36 | H22 | 0.1° | 0.1° |
| H24 | C38 | N39 | H31 | 155.8° | 94.2° |
| H25 | C38 | N39 | H31 | 40.1° | 149.2° |
| H26 | C42 | C41 | H32 | 89.6° | 170.7° |
| H26 | C42 | C41 | H33 | 29.7° | 55.2° |
| H27 | C42 | C41 | H32 | 152.9° | 72.1° |
| H27 | C42 | C41 | H33 | 87.8° | 172.4° |
| H29 | C49 | C50 | H30 | 0.2° | 0.1° |
| H30 | C50 | C51 | H36 | 0.2° | 0.2° |
