A1ITT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.42Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.55Å | |
| C25 | C26 | sing | 1.51Å | 1.52Å | |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.50Å | 1.54Å | |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.42Å | Aromatic |
| C19 | N05 | sing | 1.39Å | 1.48Å | |
| C27 | C28 | sing | 1.39Å | 1.42Å | Aromatic |
| C27 | C04 | doub | 1.37Å | 1.36Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| N05 | C04 | sing | 1.39Å | 1.47Å | |
| N05 | C06 | sing | 1.47Å | 1.46Å | |
| C04 | C03 | sing | 1.39Å | 1.42Å | Aromatic |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C29 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | N10 | sing | 1.47Å | 1.46Å | |
| C02 | CL01 | sing | 1.74Å | 1.78Å | |
| N10 | C11 | sing | 1.47Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| O18 | C14 | doub | 1.21Å | 1.19Å | |
| C14 | O15 | sing | 1.34Å | 1.40Å | |
| C16 | O15 | sing | 1.45Å | 1.40Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| N10 | H5 | sing | 1.01Å | 1.00Å | |
| C03 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.08Å | 1.08Å | |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 120.6° | 121.5° |
| C23 | C22 | C21 | 119.8° | 119.9° |
| C23 | C22 | H25 | 120.1° | 120.0° |
| C22 | C23 | H26 | 119.7° | 119.3° |
| C23 | C24 | C25 | 115.9° | 114.5° |
| C23 | C24 | C19 | 119.3° | 118.4° |
| C24 | C23 | H26 | 119.7° | 119.2° |
| C24 | C25 | C26 | 118.3° | 114.6° |
| C25 | C24 | C19 | 124.8° | 127.1° |
| C24 | C25 | H27 | 107.2° | 108.5° |
| C24 | C25 | H28 | 107.2° | 108.5° |
| C25 | C26 | C27 | 113.1° | 112.2° |
| C26 | C25 | H27 | 107.2° | 108.5° |
| C26 | C25 | H28 | 107.2° | 108.5° |
| C25 | C26 | H29 | 108.6° | 108.9° |
| C25 | C26 | H30 | 108.6° | 108.9° |
| C22 | C21 | C20 | 119.8° | 119.3° |
| C22 | C21 | H24 | 120.1° | 120.3° |
| C21 | C22 | H25 | 120.1° | 120.1° |
| C24 | C19 | C20 | 119.9° | 120.0° |
| C24 | C19 | N05 | 122.5° | 124.0° |
| C26 | C27 | C28 | 120.9° | 120.2° |
| C26 | C27 | C04 | 118.4° | 119.9° |
| C27 | C26 | H29 | 108.5° | 109.0° |
| C27 | C26 | H30 | 108.5° | 108.9° |
| C21 | C20 | C19 | 120.5° | 120.9° |
| C21 | C20 | H23 | 119.8° | 119.5° |
| C20 | C21 | H24 | 120.1° | 120.4° |
| C20 | C19 | N05 | 117.6° | 116.0° |
| C19 | C20 | H23 | 119.7° | 119.5° |
| C19 | N05 | C04 | 121.9° | 123.3° |
| C19 | N05 | C06 | 115.4° | 118.3° |
| C28 | C27 | C04 | 120.7° | 119.9° |
| C27 | C28 | C29 | 118.8° | 119.6° |
| C27 | C28 | H31 | 120.6° | 120.2° |
| C27 | C04 | N05 | 117.2° | 117.6° |
| C27 | C04 | C03 | 121.0° | 120.9° |
| C28 | C29 | C02 | 120.4° | 120.5° |
| C29 | C28 | H31 | 120.6° | 120.3° |
| C28 | C29 | H32 | 119.8° | 119.7° |
| C04 | N05 | C06 | 117.3° | 118.4° |
| N05 | C04 | C03 | 121.8° | 121.4° |
| N05 | C06 | C07 | 110.5° | 109.4° |
| N05 | C06 | H8 | 109.2° | 109.5° |
| N05 | C06 | H9 | 109.2° | 109.4° |
| C04 | C03 | C02 | 118.7° | 119.1° |
| C04 | C03 | H7 | 120.7° | 120.4° |
| C07 | C08 | C09 | 113.0° | 109.5° |
| C08 | C07 | C06 | 113.8° | 109.5° |
| C08 | C07 | H10 | 108.4° | 109.5° |
| C08 | C07 | H11 | 108.4° | 109.4° |
| C07 | C08 | H12 | 108.6° | 109.5° |
| C07 | C08 | H13 | 108.6° | 109.4° |
| C08 | C09 | N10 | 112.2° | 109.5° |
| C09 | C08 | H12 | 108.6° | 109.5° |
| C09 | C08 | H13 | 108.6° | 109.5° |
| C08 | C09 | H14 | 108.8° | 109.4° |
| C08 | C09 | H15 | 108.8° | 109.5° |
| C29 | C02 | C03 | 120.4° | 119.9° |
| C29 | C02 | CL01 | 119.7° | 120.0° |
| C02 | C29 | H32 | 119.8° | 119.8° |
| C07 | C06 | H8 | 109.2° | 109.5° |
| C07 | C06 | H9 | 109.2° | 109.5° |
| C06 | C07 | H10 | 108.3° | 109.5° |
| C06 | C07 | H11 | 108.4° | 109.5° |
| C03 | C02 | CL01 | 119.9° | 120.0° |
| C02 | C03 | H7 | 120.6° | 120.5° |
| C09 | N10 | C11 | 107.4° | 111.0° |
| C09 | N10 | H5 | 110.0° | 111.0° |
| N10 | C09 | H14 | 108.8° | 109.5° |
| N10 | C09 | H15 | 108.8° | 109.5° |
| N10 | C11 | C12 | 113.4° | 109.5° |
| N10 | C11 | H3 | 108.5° | 109.5° |
| N10 | C11 | H4 | 108.5° | 109.5° |
| C11 | N10 | H5 | 110.0° | 111.0° |
| C11 | C12 | C13 | 116.8° | 109.5° |
| C11 | C12 | H1 | 107.6° | 109.5° |
| C11 | C12 | H2 | 107.6° | 109.5° |
| C12 | C11 | H3 | 108.5° | 109.5° |
| C12 | C11 | H4 | 108.5° | 109.5° |
| C12 | C13 | C14 | 109.8° | 109.4° |
| C13 | C12 | H1 | 107.6° | 109.5° |
| C13 | C12 | H2 | 107.6° | 109.5° |
| C12 | C13 | H16 | 109.4° | 109.5° |
| C12 | C13 | H17 | 109.4° | 109.5° |
| C13 | C14 | O18 | 119.5° | 120.0° |
| C13 | C14 | O15 | 120.6° | 120.0° |
| C14 | C13 | H16 | 109.4° | 109.5° |
| C14 | C13 | H17 | 109.4° | 109.4° |
| O18 | C14 | O15 | 119.9° | 120.0° |
| C14 | O15 | C16 | 114.1° | 117.0° |
| O15 | C16 | C17 | 107.9° | 109.5° |
| O15 | C16 | H18 | 109.9° | 109.5° |
| O15 | C16 | H19 | 109.9° | 109.5° |
| C17 | C16 | H18 | 109.9° | 109.5° |
| C17 | C16 | H19 | 109.9° | 109.5° |
| C16 | C17 | H20 | 109.5° | 109.5° |
| C16 | C17 | H21 | 109.5° | 109.5° |
| C16 | C17 | H22 | 109.5° | 109.5° |
| H1 | C12 | H2 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H8 | C06 | H9 | 109.4° | 109.5° |
| H10 | C07 | H11 | 109.5° | 109.4° |
| H12 | C08 | H13 | 109.5° | 109.4° |
| H14 | C09 | H15 | 109.4° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.4° | 109.5° |
| H20 | C17 | H22 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.4° | 109.4° |
| H27 | C25 | H28 | 109.5° | 108.2° |
| H29 | C26 | H30 | 109.5° | 108.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H26 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 179.7° | 177.3° |
| C23 | C22 | C21 | H25 | 180.0° | 179.9° |
| C22 | C23 | C24 | C19 | 0.2° | 1.3° |
| C23 | C22 | C21 | C20 | 0.1° | 0.5° |
| C23 | C22 | C21 | H24 | 179.9° | 179.3° |
| C23 | C24 | C25 | C19 | 179.4° | 178.4° |
| C23 | C24 | C25 | C26 | 171.3° | 166.1° |
| C24 | C23 | C22 | C21 | 0.3° | 0.3° |
| C23 | C24 | C19 | C20 | 0.1° | 1.5° |
| C23 | C24 | C19 | N05 | 179.2° | 177.4° |
| C24 | C23 | C22 | H25 | 179.7° | 179.8° |
| C23 | C24 | C25 | H27 | 50.1° | 44.8° |
| C23 | C24 | C25 | H28 | 67.5° | 72.5° |
| C24 | C25 | C26 | H27 | 121.2° | 121.3° |
| C24 | C25 | C26 | H28 | 121.2° | 121.4° |
| C24 | C25 | C26 | C27 | 64.4° | 66.4° |
| C25 | C24 | C19 | C20 | 179.3° | 176.8° |
| C25 | C24 | C19 | N05 | 0.2° | 4.2° |
| C25 | C24 | C23 | H26 | 0.3° | 2.7° |
| C24 | C25 | H27 | H28 | 116.0° | 117.4° |
| C24 | C25 | C26 | H29 | 56.2° | 54.4° |
| C24 | C25 | C26 | H30 | 175.1° | 172.9° |
| C26 | C25 | C24 | C19 | 9.3° | 12.2° |
| C25 | C26 | C27 | H29 | 120.5° | 120.7° |
| C25 | C26 | C27 | H30 | 120.5° | 120.7° |
| C25 | C26 | C27 | C28 | 108.4° | 110.6° |
| C25 | C26 | C27 | C04 | 72.0° | 69.3° |
| C26 | C25 | H27 | H28 | 116.0° | 117.5° |
| C25 | C26 | H29 | H30 | 118.4° | 118.6° |
| C22 | C21 | C20 | H24 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.2° | 0.3° |
| C22 | C21 | C20 | H23 | 179.8° | 179.6° |
| C21 | C22 | C23 | H26 | 179.7° | 179.8° |
| C24 | C19 | C20 | C21 | 0.3° | 0.7° |
| C24 | C19 | C20 | N05 | 179.1° | 179.0° |
| C24 | C19 | N05 | C04 | 51.8° | 44.3° |
| C24 | C19 | N05 | C06 | 154.8° | 135.7° |
| C24 | C19 | C20 | H23 | 179.7° | 179.3° |
| C19 | C24 | C23 | H26 | 179.8° | 178.7° |
| C19 | C24 | C25 | H27 | 130.5° | 133.6° |
| C19 | C24 | C25 | H28 | 111.9° | 109.2° |
| C26 | C27 | C28 | C04 | 179.6° | 179.8° |
| C26 | C27 | C28 | C29 | 179.9° | 178.9° |
| C26 | C27 | C04 | N05 | 1.5° | 3.1° |
| C26 | C27 | C04 | C03 | 179.7° | 178.5° |
| C27 | C26 | C25 | H27 | 174.4° | 172.3° |
| C27 | C26 | C25 | H28 | 56.9° | 55.0° |
| C27 | C26 | H29 | H30 | 118.3° | 118.6° |
| C26 | C27 | C28 | H31 | 0.1° | 0.9° |
| C21 | C20 | C19 | H23 | 180.0° | 180.0° |
| C21 | C20 | C19 | N05 | 179.4° | 178.3° |
| C20 | C21 | C22 | H25 | 179.9° | 179.4° |
| C20 | C19 | N05 | C04 | 127.3° | 134.7° |
| C20 | C19 | N05 | C06 | 26.1° | 45.3° |
| C19 | C20 | C21 | H24 | 179.8° | 179.6° |
| C19 | N05 | C04 | C27 | 67.5° | 66.0° |
| C19 | N05 | C04 | C06 | 153.0° | 180.0° |
| C19 | N05 | C04 | C03 | 110.7° | 115.6° |
| C19 | N05 | C06 | C07 | 114.5° | 90.0° |
| C19 | N05 | C06 | H8 | 125.3° | 30.0° |
| C19 | N05 | C06 | H9 | 5.7° | 150.0° |
| N05 | C19 | C20 | H23 | 0.6° | 1.7° |
| C27 | C28 | C29 | H31 | 180.0° | 179.8° |
| C28 | C27 | C04 | N05 | 178.9° | 177.1° |
| C28 | C27 | C04 | C03 | 0.7° | 1.3° |
| C27 | C28 | C29 | C02 | 0.0° | 0.3° |
| C28 | C27 | C26 | H29 | 131.1° | 128.7° |
| C28 | C27 | C26 | H30 | 12.1° | 10.1° |
| C27 | C28 | C29 | H32 | 180.0° | 179.9° |
| C04 | C27 | C28 | C29 | 0.4° | 1.0° |
| C27 | C04 | N05 | C03 | 178.2° | 178.4° |
| C27 | C04 | N05 | C06 | 139.5° | 114.0° |
| C27 | C04 | C03 | C02 | 0.4° | 1.0° |
| C27 | C04 | C03 | H7 | 179.6° | 179.0° |
| C04 | C27 | C26 | H29 | 48.6° | 51.5° |
| C04 | C27 | C26 | H30 | 167.5° | 170.0° |
| C04 | C27 | C28 | H31 | 179.6° | 179.2° |
| C28 | C29 | C02 | H32 | 180.0° | 179.6° |
| C28 | C29 | C02 | C03 | 0.3° | 0.0° |
| C28 | C29 | C02 | CL01 | 179.9° | 179.7° |
| C04 | N05 | C06 | C07 | 90.8° | 90.0° |
| N05 | C04 | C03 | C02 | 178.6° | 177.3° |
| N05 | C04 | C03 | H7 | 1.4° | 2.7° |
| C04 | N05 | C06 | H8 | 29.4° | 150.0° |
| C04 | N05 | C06 | H9 | 149.0° | 29.9° |
| C06 | N05 | C04 | C03 | 42.3° | 64.3° |
| N05 | C06 | C07 | C08 | 107.0° | 179.9° |
| N05 | C06 | C07 | H8 | 120.2° | 120.0° |
| N05 | C06 | C07 | H9 | 120.2° | 119.9° |
| N05 | C06 | H8 | H9 | 119.5° | 120.0° |
| N05 | C06 | C07 | H10 | 132.4° | 60.0° |
| N05 | C06 | C07 | H11 | 13.7° | 60.0° |
| C04 | C03 | C02 | C29 | 0.1° | 0.3° |
| C04 | C03 | C02 | H7 | 180.0° | 180.0° |
| C04 | C03 | C02 | CL01 | 179.9° | 179.9° |
| C07 | C08 | C09 | H12 | 120.5° | 120.1° |
| C07 | C08 | C09 | H13 | 120.5° | 119.9° |
| C08 | C07 | C06 | H10 | 120.7° | 120.1° |
| C08 | C07 | C06 | H11 | 120.6° | 119.9° |
| C07 | C08 | C09 | N10 | 101.5° | 180.0° |
| C08 | C07 | C06 | H8 | 132.9° | 60.1° |
| C08 | C07 | C06 | H9 | 13.2° | 60.0° |
| C08 | C07 | H10 | H11 | 118.0° | 119.9° |
| C07 | C08 | H12 | H13 | 118.4° | 119.9° |
| C07 | C08 | C09 | H14 | 18.9° | 60.0° |
| C07 | C08 | C09 | H15 | 138.1° | 59.9° |
| C09 | C08 | C07 | C06 | 73.6° | 180.0° |
| C08 | C09 | N10 | H14 | 120.4° | 120.0° |
| C08 | C09 | N10 | H15 | 120.4° | 120.0° |
| C08 | C09 | N10 | C11 | 154.6° | 180.0° |
| C08 | C09 | N10 | H5 | 34.9° | 56.0° |
| C09 | C08 | C07 | H10 | 47.0° | 59.9° |
| C09 | C08 | C07 | H11 | 165.7° | 60.0° |
| C09 | C08 | H12 | H13 | 118.4° | 120.0° |
| C08 | C09 | H14 | H15 | 118.8° | 120.0° |
| C29 | C02 | C03 | CL01 | 179.8° | 179.8° |
| C29 | C02 | C03 | H7 | 180.0° | 179.7° |
| C02 | C29 | C28 | H31 | 180.0° | 179.9° |
| C07 | C06 | H8 | H9 | 119.5° | 120.1° |
| C06 | C07 | H10 | H11 | 118.0° | 120.1° |
| C06 | C07 | C08 | H12 | 46.9° | 59.9° |
| C06 | C07 | C08 | H13 | 165.9° | 60.0° |
| C03 | C02 | C29 | H32 | 179.7° | 179.6° |
| C09 | N10 | C11 | H5 | 119.7° | 124.0° |
| C09 | N10 | C11 | C12 | 135.6° | 180.0° |
| C09 | N10 | C11 | H3 | 15.1° | 60.0° |
| C09 | N10 | C11 | H4 | 103.8° | 60.0° |
| N10 | C09 | C08 | H12 | 138.0° | 60.0° |
| N10 | C09 | C08 | H13 | 19.0° | 60.0° |
| N10 | C09 | H14 | H15 | 118.7° | 120.0° |
| CL01 | C02 | C03 | H7 | 0.1° | 0.1° |
| CL01 | C02 | C29 | H32 | 0.1° | 0.6° |
| N10 | C11 | C12 | H3 | 120.6° | 120.0° |
| N10 | C11 | C12 | H4 | 120.6° | 120.0° |
| N10 | C11 | C12 | C13 | 122.2° | 180.0° |
| N10 | C11 | C12 | H1 | 116.8° | 59.9° |
| N10 | C11 | C12 | H2 | 1.1° | 60.0° |
| N10 | C11 | H3 | H4 | 118.2° | 120.0° |
| C11 | N10 | C09 | H14 | 85.0° | 60.0° |
| C11 | N10 | C09 | H15 | 34.2° | 60.0° |
| C11 | C12 | C13 | H1 | 121.0° | 120.0° |
| C11 | C12 | C13 | H2 | 121.1° | 120.0° |
| C11 | C12 | C13 | C14 | 142.3° | 180.0° |
| C11 | C12 | H1 | H2 | 116.7° | 120.0° |
| C12 | C11 | H3 | H4 | 118.2° | 120.0° |
| C12 | C11 | N10 | H5 | 104.7° | 56.0° |
| C11 | C12 | C13 | H16 | 97.6° | 60.0° |
| C11 | C12 | C13 | H17 | 22.3° | 60.1° |
| C12 | C13 | C14 | H16 | 120.0° | 120.0° |
| C12 | C13 | C14 | H17 | 120.0° | 119.9° |
| C12 | C13 | C14 | O18 | 21.6° | 0.0° |
| C12 | C13 | C14 | O15 | 158.4° | 180.0° |
| C13 | C12 | H1 | H2 | 116.7° | 120.0° |
| C13 | C12 | C11 | H3 | 1.6° | 60.0° |
| C13 | C12 | C11 | H4 | 117.3° | 60.0° |
| C12 | C13 | H16 | H17 | 119.8° | 120.1° |
| C13 | C14 | O18 | O15 | 180.0° | 180.0° |
| C13 | C14 | O15 | C16 | 43.6° | 179.9° |
| C14 | C13 | C12 | H1 | 21.3° | 60.0° |
| C14 | C13 | C12 | H2 | 96.6° | 60.0° |
| C14 | C13 | H16 | H17 | 119.9° | 120.0° |
| O18 | C14 | O15 | C16 | 136.4° | 0.0° |
| O18 | C14 | C13 | H16 | 141.6° | 120.0° |
| O18 | C14 | C13 | H17 | 98.4° | 120.0° |
| C14 | O15 | C16 | C17 | 162.0° | 180.0° |
| O15 | C14 | C13 | H16 | 38.4° | 60.0° |
| O15 | C14 | C13 | H17 | 81.5° | 60.1° |
| C14 | O15 | C16 | H18 | 42.3° | 60.0° |
| C14 | O15 | C16 | H19 | 78.2° | 60.0° |
| O15 | C16 | C17 | H18 | 119.8° | 120.0° |
| O15 | C16 | C17 | H19 | 119.7° | 120.0° |
| O15 | C16 | H18 | H19 | 120.7° | 120.0° |
| O15 | C16 | C17 | H20 | 180.0° | 60.0° |
| O15 | C16 | C17 | H21 | 60.0° | 60.0° |
| O15 | C16 | C17 | H22 | 60.0° | 179.9° |
| C17 | C16 | H18 | H19 | 120.7° | 120.0° |
| C16 | C17 | H20 | H21 | 120.0° | 120.0° |
| C16 | C17 | H20 | H22 | 120.0° | 120.0° |
| C16 | C17 | H21 | H22 | 120.0° | 120.0° |
| H1 | C12 | C11 | H3 | 122.6° | 60.0° |
| H1 | C12 | C11 | H4 | 3.8° | 179.9° |
| H1 | C12 | C13 | H16 | 141.3° | 180.0° |
| H1 | C12 | C13 | H17 | 98.8° | 59.9° |
| H2 | C12 | C11 | H3 | 119.5° | 180.0° |
| H2 | C12 | C11 | H4 | 121.7° | 60.0° |
| H2 | C12 | C13 | H16 | 23.4° | 59.9° |
| H2 | C12 | C13 | H17 | 143.3° | 179.9° |
| H3 | C11 | N10 | H5 | 134.7° | 63.9° |
| H4 | C11 | N10 | H5 | 15.9° | 176.0° |
| H5 | N10 | C09 | H14 | 155.4° | 64.0° |
| H5 | N10 | C09 | H15 | 85.5° | 176.0° |
| H8 | C06 | C07 | H10 | 12.2° | 60.0° |
| H8 | C06 | C07 | H11 | 106.5° | 180.0° |
| H9 | C06 | C07 | H10 | 107.5° | 179.9° |
| H9 | C06 | C07 | H11 | 133.8° | 59.9° |
| H10 | C07 | C08 | H12 | 167.5° | 180.0° |
| H10 | C07 | C08 | H13 | 73.5° | 60.1° |
| H11 | C07 | C08 | H12 | 73.7° | 60.1° |
| H11 | C07 | C08 | H13 | 45.2° | 180.0° |
| H12 | C08 | C09 | H14 | 101.6° | 60.1° |
| H12 | C08 | C09 | H15 | 17.6° | 180.0° |
| H13 | C08 | C09 | H14 | 139.4° | 179.9° |
| H13 | C08 | C09 | H15 | 101.4° | 60.0° |
| H18 | C16 | C17 | H20 | 60.2° | 60.0° |
| H18 | C16 | C17 | H21 | 179.8° | 180.0° |
| H18 | C16 | C17 | H22 | 59.8° | 60.0° |
| H19 | C16 | C17 | H20 | 60.3° | 180.0° |
| H19 | C16 | C17 | H21 | 59.7° | 60.0° |
| H19 | C16 | C17 | H22 | 179.7° | 60.0° |
| H20 | C17 | H21 | H22 | 120.0° | 120.0° |
| H23 | C20 | C21 | H24 | 0.2° | 0.5° |
| H24 | C21 | C22 | H25 | 0.1° | 0.7° |
| H25 | C22 | C23 | H26 | 0.3° | 0.2° |
| H27 | C25 | C26 | H29 | 65.1° | 66.9° |
| H27 | C25 | C26 | H30 | 53.9° | 51.6° |
| H28 | C25 | C26 | H29 | 177.4° | 175.8° |
| H28 | C25 | C26 | H30 | 63.6° | 65.7° |
| H31 | C28 | C29 | H32 | 0.0° | 0.3° |
