TZ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | N2 | sing | 1.47Å | 1.16Å | |
| C29 | N2 | sing | 1.48Å | 1.26Å | |
| C29 | C21 | sing | 1.54Å | 1.61Å | |
| N2 | C28 | sing | 1.49Å | 1.52Å | |
| C21 | C27 | sing | 1.55Å | 1.41Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.55Å | 1.31Å | |
| C20 | S1 | sing | 1.81Å | 1.86Å | |
| S1 | C17 | sing | 1.76Å | 1.83Å | |
| C18 | C17 | doub | 1.39Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.35Å | Aromatic |
| C19 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| O1 | C3 | sing | 1.36Å | 1.35Å | |
| C14 | C15 | sing | 1.38Å | 1.35Å | Aromatic |
| C14 | C9 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.39Å | 1.36Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.36Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C8 | sing | 1.52Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C1 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.30Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.52Å | |
| C5 | C7 | sing | 1.50Å | 1.52Å | |
| C9 | N1 | sing | 1.47Å | 1.44Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C8 | C12 | sing | 1.53Å | 1.53Å | |
| C8 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C10 | sing | 1.35Å | 1.42Å | |
| C10 | O2 | doub | 1.22Å | 1.12Å | |
| C10 | C11 | sing | 1.48Å | 1.54Å | |
| C11 | C26 | doub | 1.40Å | 1.35Å | Aromatic |
| C11 | C22 | sing | 1.40Å | 1.36Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.36Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.08Å | 1.08Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| O1 | H18 | sing | 0.97Å | 0.95Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C31 | C30 | 107.2° | 109.4° |
| C32 | C31 | H33 | 110.0° | 109.4° |
| C32 | C31 | H34 | 110.1° | 109.5° |
| C31 | C32 | H35 | 109.5° | 109.5° |
| C31 | C32 | H36 | 109.5° | 109.5° |
| C31 | C32 | H37 | 109.5° | 109.5° |
| C31 | C30 | N2 | 115.9° | 109.4° |
| C31 | C30 | H31 | 107.8° | 109.5° |
| C31 | C30 | H32 | 107.8° | 109.5° |
| C30 | C31 | H33 | 110.0° | 109.5° |
| C30 | C31 | H34 | 110.0° | 109.5° |
| C30 | N2 | C29 | 113.9° | 111.0° |
| C30 | N2 | C28 | 104.7° | 111.0° |
| N2 | C30 | H31 | 107.8° | 109.4° |
| N2 | C30 | H32 | 107.9° | 109.5° |
| N2 | C29 | C21 | 104.4° | 107.1° |
| C29 | N2 | C28 | 105.4° | 105.8° |
| N2 | C29 | H29 | 110.7° | 109.9° |
| N2 | C29 | H30 | 110.7° | 109.9° |
| C29 | C21 | C27 | 98.8° | 105.2° |
| C29 | C21 | C20 | 129.9° | 110.3° |
| C29 | C21 | H9 | 108.1° | 110.5° |
| C21 | C29 | H29 | 110.7° | 110.0° |
| C21 | C29 | H30 | 110.7° | 109.9° |
| N2 | C28 | C27 | 102.5° | 103.2° |
| N2 | C28 | H13 | 111.2° | 110.7° |
| N2 | C28 | H14 | 111.2° | 110.8° |
| C27 | C21 | C20 | 97.8° | 110.3° |
| C21 | C27 | C28 | 99.0° | 102.9° |
| C27 | C21 | H9 | 110.9° | 110.3° |
| C21 | C27 | H26 | 112.0° | 110.8° |
| C21 | C27 | H27 | 112.0° | 110.7° |
| C21 | C20 | S1 | 112.7° | 109.5° |
| C21 | C20 | H7 | 108.6° | 109.4° |
| C21 | C20 | H8 | 108.7° | 109.4° |
| C20 | C21 | H9 | 109.3° | 110.3° |
| C27 | C28 | H13 | 111.2° | 110.6° |
| C27 | C28 | H14 | 111.2° | 110.7° |
| C28 | C27 | H26 | 112.0° | 110.7° |
| C28 | C27 | H27 | 112.0° | 110.7° |
| C20 | S1 | C17 | 101.9° | 103.0° |
| S1 | C20 | H7 | 108.6° | 109.6° |
| S1 | C20 | H8 | 108.6° | 109.5° |
| S1 | C17 | C18 | 118.9° | 120.1° |
| S1 | C17 | C16 | 121.0° | 120.1° |
| C17 | C18 | C19 | 119.3° | 119.9° |
| C18 | C17 | C16 | 120.0° | 119.8° |
| C17 | C18 | H22 | 120.3° | 120.0° |
| C18 | C19 | C14 | 119.6° | 120.1° |
| C19 | C18 | H22 | 120.3° | 120.1° |
| C18 | C19 | H23 | 120.2° | 120.0° |
| C17 | C16 | C15 | 120.9° | 119.9° |
| C17 | C16 | H21 | 119.6° | 120.0° |
| C19 | C14 | C15 | 120.3° | 120.2° |
| C19 | C14 | C9 | 121.1° | 119.9° |
| C14 | C19 | H23 | 120.2° | 120.0° |
| C16 | C15 | C14 | 119.9° | 120.1° |
| C16 | C15 | H6 | 120.1° | 119.9° |
| C15 | C16 | H21 | 119.6° | 120.1° |
| O1 | C3 | C2 | 122.5° | 120.2° |
| O1 | C3 | C4 | 120.5° | 120.2° |
| C3 | O1 | H18 | 109.5° | 114.0° |
| C15 | C14 | C9 | 118.6° | 119.9° |
| C14 | C15 | H6 | 120.1° | 120.0° |
| C14 | C9 | C6 | 111.4° | 109.3° |
| C14 | C9 | N1 | 112.2° | 109.3° |
| C14 | C9 | H17 | 106.6° | 109.2° |
| C3 | C2 | C1 | 121.5° | 119.7° |
| C2 | C3 | C4 | 117.0° | 119.5° |
| C3 | C2 | H16 | 119.3° | 120.2° |
| C2 | C1 | C6 | 121.8° | 120.8° |
| C2 | C1 | H15 | 119.1° | 119.6° |
| C1 | C2 | H16 | 119.3° | 120.2° |
| C3 | C4 | C5 | 121.2° | 120.7° |
| C3 | C4 | H1 | 119.4° | 119.6° |
| C8 | C13 | C12 | 60.6° | 59.9° |
| C13 | C8 | C7 | 106.2° | 118.6° |
| C13 | C8 | C12 | 59.3° | 60.3° |
| C13 | C8 | N1 | 116.5° | 118.1° |
| C8 | C13 | H4 | 119.9° | 117.5° |
| C8 | C13 | H5 | 119.9° | 117.5° |
| C13 | C12 | C8 | 60.1° | 59.8° |
| C12 | C13 | H4 | 119.9° | 117.5° |
| C12 | C13 | H5 | 119.9° | 117.5° |
| C13 | C12 | H19 | 120.0° | 117.6° |
| C13 | C12 | H20 | 120.0° | 117.5° |
| C1 | C6 | C5 | 116.6° | 119.5° |
| C1 | C6 | C9 | 119.1° | 117.0° |
| C6 | C1 | H15 | 119.1° | 119.6° |
| C4 | C5 | C6 | 121.9° | 119.7° |
| C4 | C5 | C7 | 116.0° | 117.0° |
| C5 | C4 | H1 | 119.4° | 119.7° |
| C5 | C6 | C9 | 124.3° | 123.5° |
| C6 | C5 | C7 | 122.2° | 123.3° |
| C6 | C9 | N1 | 112.3° | 110.4° |
| C6 | C9 | H17 | 106.5° | 109.3° |
| C5 | C7 | C8 | 112.8° | 110.4° |
| C5 | C7 | H2 | 108.7° | 109.3° |
| C5 | C7 | H3 | 108.6° | 109.3° |
| C9 | N1 | C8 | 117.2° | 116.6° |
| C9 | N1 | C10 | 118.6° | 121.7° |
| N1 | C9 | H17 | 107.3° | 109.3° |
| C7 | C8 | C12 | 118.3° | 118.5° |
| C7 | C8 | N1 | 114.8° | 113.5° |
| C8 | C7 | H2 | 108.6° | 109.1° |
| C8 | C7 | H3 | 108.6° | 109.6° |
| C12 | C8 | N1 | 125.3° | 118.0° |
| C8 | C12 | H19 | 120.0° | 117.6° |
| C8 | C12 | H20 | 120.0° | 117.4° |
| C8 | N1 | C10 | 124.2° | 121.7° |
| N1 | C10 | O2 | 120.3° | 120.0° |
| N1 | C10 | C11 | 122.1° | 120.0° |
| O2 | C10 | C11 | 117.3° | 120.0° |
| C10 | C11 | C26 | 125.0° | 120.1° |
| C10 | C11 | C22 | 112.8° | 120.2° |
| C26 | C11 | C22 | 121.7° | 119.7° |
| C11 | C26 | C25 | 118.7° | 119.8° |
| C11 | C26 | H12 | 120.6° | 120.1° |
| C11 | C22 | C23 | 119.4° | 119.9° |
| C11 | C22 | H10 | 120.3° | 120.1° |
| C26 | C25 | C24 | 119.7° | 120.1° |
| C25 | C26 | H12 | 120.6° | 120.1° |
| C26 | C25 | H25 | 120.1° | 119.9° |
| C22 | C23 | C24 | 119.6° | 120.1° |
| C23 | C22 | H10 | 120.3° | 120.0° |
| C22 | C23 | H24 | 120.2° | 119.9° |
| C25 | C24 | C23 | 120.6° | 120.3° |
| C25 | C24 | H11 | 119.7° | 119.9° |
| C24 | C25 | H25 | 120.1° | 120.0° |
| C23 | C24 | H11 | 119.7° | 119.8° |
| C24 | C23 | H24 | 120.2° | 120.0° |
| H2 | C7 | H3 | 109.5° | 109.2° |
| H4 | C13 | H5 | 109.5° | 115.6° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H13 | C28 | H14 | 109.5° | 110.6° |
| H19 | C12 | H20 | 109.4° | 115.6° |
| H26 | C27 | H27 | 109.5° | 110.8° |
| H29 | C29 | H30 | 109.5° | 110.0° |
| H31 | C30 | H32 | 109.5° | 109.5° |
| H33 | C31 | H34 | 109.4° | 109.5° |
| H35 | C32 | H36 | 109.5° | 109.4° |
| H35 | C32 | H37 | 109.5° | 109.5° |
| H36 | C32 | H37 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C31 | C30 | H33 | 119.7° | 120.0° |
| C32 | C31 | C30 | H34 | 119.7° | 120.0° |
| C32 | C31 | C30 | N2 | 110.2° | 180.0° |
| C32 | C31 | C30 | H31 | 128.9° | 60.0° |
| C32 | C31 | C30 | H32 | 10.8° | 60.0° |
| C32 | C31 | H33 | H34 | 121.1° | 120.0° |
| C31 | C32 | H35 | H36 | 120.0° | 120.0° |
| C31 | C32 | H35 | H37 | 120.0° | 120.0° |
| C31 | C32 | H36 | H37 | 120.0° | 120.0° |
| C31 | C30 | N2 | H31 | 120.9° | 120.0° |
| C31 | C30 | N2 | H32 | 120.9° | 120.0° |
| C31 | C30 | N2 | C29 | 157.1° | 172.7° |
| C31 | C30 | N2 | C28 | 88.2° | 69.9° |
| C31 | C30 | H31 | H32 | 117.1° | 120.0° |
| C30 | C31 | H33 | H34 | 121.0° | 120.0° |
| C30 | C31 | C32 | H35 | 180.0° | 180.0° |
| C30 | C31 | C32 | H36 | 60.0° | 60.0° |
| C30 | C31 | C32 | H37 | 60.0° | 60.0° |
| C30 | N2 | C29 | C28 | 114.2° | 120.5° |
| C30 | N2 | C29 | C21 | 107.7° | 145.8° |
| C30 | N2 | C28 | C27 | 81.5° | 159.7° |
| C30 | N2 | C28 | H13 | 159.6° | 41.3° |
| C30 | N2 | C28 | H14 | 37.3° | 81.8° |
| C30 | N2 | C29 | H29 | 11.4° | 94.8° |
| C30 | N2 | C29 | H30 | 133.1° | 26.5° |
| N2 | C30 | H31 | H32 | 117.1° | 120.0° |
| N2 | C30 | C31 | H33 | 9.5° | 60.1° |
| N2 | C30 | C31 | H34 | 130.2° | 60.0° |
| N2 | C29 | C21 | H29 | 119.2° | 119.4° |
| N2 | C29 | C21 | H30 | 119.2° | 119.3° |
| N2 | C29 | C21 | C27 | 24.4° | 1.2° |
| N2 | C29 | C21 | C20 | 83.6° | 117.7° |
| C29 | N2 | C28 | C27 | 38.9° | 39.2° |
| N2 | C29 | C21 | H9 | 139.9° | 120.2° |
| C29 | N2 | C28 | H13 | 79.9° | 79.2° |
| C29 | N2 | C28 | H14 | 157.8° | 157.7° |
| N2 | C29 | H29 | H30 | 122.4° | 121.2° |
| C29 | N2 | C30 | H31 | 82.0° | 52.7° |
| C29 | N2 | C30 | H32 | 36.2° | 67.3° |
| C21 | C29 | N2 | C28 | 6.5° | 25.3° |
| C29 | C21 | C27 | C20 | 132.5° | 118.9° |
| C29 | C21 | C27 | H9 | 113.3° | 119.1° |
| C29 | C21 | C20 | H9 | 136.2° | 122.2° |
| C29 | C21 | C27 | C28 | 48.0° | 22.0° |
| C29 | C21 | C20 | S1 | 145.0° | 177.9° |
| C29 | C21 | C20 | H7 | 94.5° | 57.8° |
| C29 | C21 | C20 | H8 | 24.6° | 62.2° |
| C29 | C21 | C27 | H26 | 70.2° | 140.3° |
| C29 | C21 | C27 | H27 | 166.3° | 96.3° |
| C21 | C29 | H29 | H30 | 122.4° | 121.2° |
| N2 | C28 | C27 | C21 | 54.1° | 37.4° |
| N2 | C28 | C27 | H13 | 118.8° | 118.5° |
| N2 | C28 | C27 | H14 | 118.8° | 118.6° |
| N2 | C28 | H13 | H14 | 123.3° | 123.2° |
| N2 | C28 | C27 | H26 | 64.2° | 155.8° |
| N2 | C28 | C27 | H27 | 172.3° | 80.9° |
| C28 | N2 | C29 | H29 | 125.7° | 144.7° |
| C28 | N2 | C29 | H30 | 112.7° | 94.0° |
| C28 | N2 | C30 | H31 | 32.7° | 170.1° |
| C28 | N2 | C30 | H32 | 150.8° | 50.1° |
| C27 | C21 | C20 | H9 | 115.4° | 122.0° |
| C21 | C27 | C28 | H26 | 118.2° | 118.4° |
| C21 | C27 | C28 | H27 | 118.3° | 118.4° |
| C27 | C21 | C20 | S1 | 36.6° | 66.4° |
| C27 | C21 | C20 | H7 | 157.1° | 173.5° |
| C27 | C21 | C20 | H8 | 83.8° | 53.5° |
| C21 | C27 | C28 | H13 | 64.8° | 81.0° |
| C21 | C27 | C28 | H14 | 172.9° | 156.0° |
| C21 | C27 | H26 | H27 | 124.9° | 123.3° |
| C27 | C21 | C29 | H29 | 94.8° | 120.6° |
| C27 | C21 | C29 | H30 | 143.6° | 118.2° |
| C20 | C21 | C27 | C28 | 84.5° | 140.9° |
| C21 | C20 | S1 | H7 | 120.5° | 120.0° |
| C21 | C20 | S1 | H8 | 120.5° | 119.9° |
| C21 | C20 | S1 | C17 | 164.2° | 180.0° |
| C21 | C20 | H7 | H8 | 118.5° | 119.9° |
| C20 | C21 | C27 | H26 | 157.2° | 100.8° |
| C20 | C21 | C27 | H27 | 33.8° | 22.6° |
| C20 | C21 | C29 | H29 | 157.3° | 1.7° |
| C20 | C21 | C29 | H30 | 35.6° | 122.9° |
| C28 | C27 | C21 | H9 | 161.4° | 97.1° |
| C27 | C28 | H13 | H14 | 123.3° | 123.0° |
| C28 | C27 | H26 | H27 | 124.9° | 123.2° |
| C20 | S1 | C17 | C18 | 44.1° | 0.0° |
| C20 | S1 | C17 | C16 | 134.2° | 179.9° |
| S1 | C20 | H7 | H8 | 118.5° | 120.0° |
| S1 | C20 | C21 | H9 | 78.8° | 55.6° |
| S1 | C17 | C18 | C16 | 178.4° | 179.9° |
| S1 | C17 | C18 | C19 | 178.2° | 179.7° |
| S1 | C17 | C16 | C15 | 178.8° | 180.0° |
| C17 | S1 | C20 | H7 | 43.7° | 60.0° |
| C17 | S1 | C20 | H8 | 75.3° | 60.1° |
| S1 | C17 | C16 | H21 | 1.2° | 0.0° |
| S1 | C17 | C18 | H22 | 1.8° | 0.0° |
| C17 | C18 | C19 | H22 | 180.0° | 179.7° |
| C17 | C18 | C19 | C14 | 1.0° | 0.2° |
| C18 | C17 | C16 | C15 | 0.5° | 0.0° |
| C18 | C17 | C16 | H21 | 179.5° | 179.9° |
| C17 | C18 | C19 | H23 | 179.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.2° |
| C18 | C19 | C14 | H23 | 180.0° | 179.8° |
| C18 | C19 | C14 | C15 | 1.3° | 0.0° |
| C18 | C19 | C14 | C9 | 180.0° | 180.0° |
| C17 | C16 | C15 | H21 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.3° | 0.3° |
| C17 | C16 | C15 | H6 | 179.7° | 180.0° |
| C16 | C17 | C18 | H22 | 179.9° | 179.9° |
| C19 | C14 | C15 | C16 | 0.6° | 0.3° |
| C19 | C14 | C15 | C9 | 178.7° | 180.0° |
| C19 | C14 | C9 | C6 | 35.4° | 127.4° |
| C19 | C14 | C9 | N1 | 91.6° | 111.7° |
| C19 | C14 | C15 | H6 | 179.4° | 180.0° |
| C19 | C14 | C9 | H17 | 151.2° | 7.8° |
| C14 | C19 | C18 | H22 | 179.0° | 179.9° |
| C16 | C15 | C14 | H6 | 180.0° | 179.8° |
| C16 | C15 | C14 | C9 | 179.3° | 179.7° |
| O1 | C3 | C2 | C4 | 179.0° | 180.0° |
| O1 | C3 | C2 | C1 | 179.5° | 179.7° |
| O1 | C3 | C4 | C5 | 179.4° | 179.7° |
| O1 | C3 | C4 | H1 | 0.6° | 0.3° |
| O1 | C3 | C2 | H16 | 0.5° | 0.4° |
| C15 | C14 | C9 | C6 | 143.3° | 52.6° |
| C15 | C14 | C9 | N1 | 89.7° | 68.3° |
| C15 | C14 | C9 | H17 | 27.5° | 172.2° |
| C14 | C15 | C16 | H21 | 179.7° | 179.7° |
| C15 | C14 | C19 | H23 | 178.7° | 179.8° |
| C14 | C9 | C6 | C1 | 64.5° | 72.9° |
| C14 | C9 | C6 | C5 | 114.6° | 106.3° |
| C14 | C9 | C6 | N1 | 126.9° | 120.3° |
| C14 | C9 | C6 | H17 | 115.9° | 119.4° |
| C14 | C9 | N1 | H17 | 116.8° | 119.4° |
| C14 | C9 | N1 | C8 | 89.9° | 79.1° |
| C14 | C9 | N1 | C10 | 88.1° | 101.2° |
| C9 | C14 | C15 | H6 | 0.6° | 0.0° |
| C9 | C14 | C19 | H23 | 0.0° | 0.2° |
| C3 | C2 | C1 | H16 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.2° | 0.2° |
| C2 | C3 | C4 | C5 | 1.6° | 0.2° |
| C2 | C3 | C4 | H1 | 178.4° | 179.7° |
| C3 | C2 | C1 | H15 | 179.8° | 179.9° |
| C2 | C3 | O1 | H18 | 180.0° | 90.0° |
| C1 | C2 | C3 | C4 | 1.5° | 0.3° |
| C2 | C1 | C6 | H15 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 1.1° | 0.6° |
| C2 | C1 | C6 | C9 | 178.2° | 178.6° |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.3° |
| C3 | C4 | C5 | C7 | 178.2° | 179.0° |
| C4 | C3 | C2 | H16 | 178.4° | 179.7° |
| C4 | C3 | O1 | H18 | 1.1° | 90.0° |
| C8 | C13 | C12 | H4 | 109.6° | 107.4° |
| C8 | C13 | C12 | H5 | 109.6° | 107.5° |
| C13 | C8 | C7 | C5 | 96.0° | 104.8° |
| C13 | C8 | N1 | C9 | 75.7° | 88.2° |
| C13 | C8 | C7 | C12 | 63.4° | 69.7° |
| C13 | C8 | C7 | N1 | 130.3° | 145.4° |
| C13 | C8 | C12 | N1 | 102.5° | 108.1° |
| C13 | C8 | N1 | C10 | 102.2° | 92.1° |
| C13 | C8 | C7 | H2 | 24.5° | 15.3° |
| C13 | C8 | C7 | H3 | 143.5° | 134.7° |
| C8 | C13 | H4 | H5 | 144.4° | 145.7° |
| C8 | C13 | C12 | H19 | 109.5° | 107.5° |
| C8 | C13 | C12 | H20 | 109.5° | 107.4° |
| C12 | C13 | H4 | H5 | 144.4° | 145.7° |
| C13 | C12 | H19 | H20 | 144.7° | 145.8° |
| C1 | C6 | C5 | C4 | 1.0° | 0.7° |
| C1 | C6 | C5 | C9 | 179.2° | 179.2° |
| C1 | C6 | C5 | C7 | 179.5° | 178.6° |
| C1 | C6 | C9 | N1 | 168.5° | 166.8° |
| C6 | C1 | C2 | H16 | 179.7° | 179.9° |
| C1 | C6 | C9 | H17 | 51.3° | 46.5° |
| C4 | C5 | C6 | C7 | 178.5° | 179.3° |
| C4 | C5 | C6 | C9 | 178.2° | 178.5° |
| C4 | C5 | C7 | C8 | 167.4° | 165.6° |
| C4 | C5 | C7 | H2 | 46.9° | 45.7° |
| C4 | C5 | C7 | H3 | 72.1° | 73.8° |
| C5 | C6 | C9 | N1 | 12.3° | 14.0° |
| C6 | C5 | C7 | C8 | 11.2° | 15.1° |
| C6 | C5 | C4 | H1 | 179.7° | 179.8° |
| C6 | C5 | C7 | H2 | 131.7° | 135.0° |
| C6 | C5 | C7 | H3 | 109.3° | 105.5° |
| C5 | C6 | C1 | H15 | 178.9° | 179.4° |
| C5 | C6 | C9 | H17 | 129.5° | 134.3° |
| C9 | C6 | C5 | C7 | 0.3° | 2.2° |
| C6 | C9 | N1 | H17 | 116.7° | 120.3° |
| C6 | C9 | N1 | C8 | 36.6° | 41.2° |
| C6 | C9 | N1 | C10 | 145.4° | 138.5° |
| C9 | C6 | C1 | H15 | 1.8° | 1.4° |
| C5 | C7 | C8 | H2 | 120.5° | 120.1° |
| C5 | C7 | C8 | H3 | 120.5° | 120.4° |
| C5 | C7 | C8 | C12 | 159.4° | 174.5° |
| C5 | C7 | C8 | N1 | 34.3° | 40.5° |
| C7 | C5 | C4 | H1 | 1.7° | 0.9° |
| C5 | C7 | H2 | H3 | 118.5° | 119.6° |
| C9 | N1 | C8 | C7 | 49.4° | 57.3° |
| C9 | N1 | C8 | C12 | 145.5° | 157.5° |
| C9 | N1 | C8 | C10 | 177.9° | 179.7° |
| C9 | N1 | C10 | O2 | 1.0° | 177.0° |
| C9 | N1 | C10 | C11 | 173.2° | 2.9° |
| C7 | C8 | C12 | N1 | 164.7° | 143.4° |
| C7 | C8 | N1 | C10 | 132.7° | 122.4° |
| C8 | C7 | H2 | H3 | 118.5° | 119.7° |
| C7 | C8 | C13 | H4 | 136.7° | 144.2° |
| C7 | C8 | C13 | H5 | 4.0° | 0.9° |
| C7 | C8 | C12 | H19 | 157.6° | 1.1° |
| C7 | C8 | C12 | H20 | 16.7° | 144.1° |
| C12 | C8 | N1 | C10 | 32.4° | 22.8° |
| C12 | C8 | C7 | H2 | 38.9° | 54.4° |
| C12 | C8 | C7 | H3 | 80.1° | 65.0° |
| C8 | C12 | H19 | H20 | 144.6° | 145.8° |
| C8 | N1 | C10 | O2 | 176.9° | 3.3° |
| C8 | N1 | C10 | C11 | 8.9° | 176.8° |
| N1 | C8 | C7 | H2 | 154.8° | 160.6° |
| N1 | C8 | C7 | H3 | 86.2° | 79.9° |
| N1 | C8 | C13 | H4 | 7.4° | 0.4° |
| N1 | C8 | C13 | H5 | 133.3° | 144.7° |
| C8 | N1 | C9 | H17 | 153.3° | 161.5° |
| N1 | C8 | C12 | H19 | 7.0° | 144.5° |
| N1 | C8 | C12 | H20 | 148.0° | 0.7° |
| N1 | C10 | O2 | C11 | 174.4° | 179.9° |
| N1 | C10 | C11 | C26 | 129.0° | 116.9° |
| N1 | C10 | C11 | C22 | 58.9° | 63.2° |
| C10 | N1 | C9 | H17 | 28.6° | 18.2° |
| O2 | C10 | C11 | C26 | 56.7° | 63.2° |
| O2 | C10 | C11 | C22 | 115.4° | 116.8° |
| C10 | C11 | C26 | C22 | 171.4° | 180.0° |
| C10 | C11 | C26 | C25 | 176.2° | 179.4° |
| C10 | C11 | C22 | C23 | 175.0° | 180.0° |
| C10 | C11 | C22 | H10 | 5.0° | 0.3° |
| C10 | C11 | C26 | H12 | 3.8° | 0.3° |
| C11 | C26 | C25 | H12 | 180.0° | 179.1° |
| C26 | C11 | C22 | C23 | 2.7° | 0.0° |
| C11 | C26 | C25 | C24 | 4.3° | 0.8° |
| C26 | C11 | C22 | H10 | 177.3° | 179.7° |
| C11 | C26 | C25 | H25 | 175.7° | 179.2° |
| C22 | C11 | C26 | C25 | 4.8° | 0.5° |
| C11 | C22 | C23 | H10 | 180.0° | 179.7° |
| C11 | C22 | C23 | C24 | 0.1° | 0.3° |
| C22 | C11 | C26 | H12 | 175.2° | 179.7° |
| C11 | C22 | C23 | H24 | 179.8° | 179.7° |
| C26 | C25 | C24 | H25 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 1.9° | 0.6° |
| C26 | C25 | C24 | H11 | 178.1° | 179.5° |
| C22 | C23 | C24 | C25 | 0.2° | 0.0° |
| C22 | C23 | C24 | H24 | 180.0° | 179.9° |
| C22 | C23 | C24 | H11 | 179.8° | 180.0° |
| C25 | C24 | C23 | H11 | 180.0° | 180.0° |
| C24 | C25 | C26 | H12 | 175.6° | 180.0° |
| C25 | C24 | C23 | H24 | 179.8° | 180.0° |
| C24 | C23 | C22 | H10 | 179.9° | 180.0° |
| C23 | C24 | C25 | H25 | 178.1° | 179.4° |
| H4 | C13 | C12 | H19 | 0.1° | 145.1° |
| H4 | C13 | C12 | H20 | 140.9° | 0.1° |
| H5 | C13 | C12 | H19 | 140.9° | 0.0° |
| H5 | C13 | C12 | H20 | 0.1° | 145.1° |
| H6 | C15 | C16 | H21 | 0.3° | 0.1° |
| H7 | C20 | C21 | H9 | 41.7° | 64.4° |
| H8 | C20 | C21 | H9 | 160.7° | 175.6° |
| H9 | C21 | C27 | H26 | 43.1° | 21.2° |
| H9 | C21 | C27 | H27 | 80.4° | 144.6° |
| H9 | C21 | C29 | H29 | 20.7° | 120.4° |
| H9 | C21 | C29 | H30 | 100.9° | 0.8° |
| H10 | C22 | C23 | H24 | 0.1° | 0.0° |
| H11 | C24 | C23 | H24 | 0.2° | 0.1° |
| H11 | C24 | C25 | H25 | 1.9° | 0.5° |
| H12 | C26 | C25 | H25 | 4.4° | 0.1° |
| H13 | C28 | C27 | H26 | 177.0° | 37.4° |
| H13 | C28 | C27 | H27 | 53.5° | 160.6° |
| H14 | C28 | C27 | H26 | 54.7° | 85.6° |
| H14 | C28 | C27 | H27 | 68.8° | 37.6° |
| H15 | C1 | C2 | H16 | 0.2° | 0.1° |
| H22 | C18 | C19 | H23 | 1.0° | 0.3° |
| H31 | C30 | C31 | H33 | 111.4° | 180.0° |
| H31 | C30 | C31 | H34 | 9.3° | 59.9° |
| H32 | C30 | C31 | H33 | 130.5° | 59.9° |
| H32 | C30 | C31 | H34 | 108.9° | 180.0° |
| H33 | C31 | C32 | H35 | 60.3° | 60.0° |
| H33 | C31 | C32 | H36 | 59.7° | 180.0° |
| H33 | C31 | C32 | H37 | 179.6° | 60.0° |
| H34 | C31 | C32 | H35 | 60.4° | 60.0° |
| H34 | C31 | C32 | H36 | 179.6° | 59.9° |
| H34 | C31 | C32 | H37 | 59.7° | 179.9° |
| H35 | C32 | H36 | H37 | 120.0° | 120.0° |
