A1AVF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C34 | sing | 1.54Å | 1.52Å | |
| C35 | C31 | sing | 1.51Å | 1.54Å | |
| C1 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C1 | N6 | sing | 1.32Å | 1.35Å | Aromatic |
| N2 | C3 | sing | 1.33Å | 1.35Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C15 | N14 | sing | 1.47Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | C27 | sing | 1.53Å | 1.52Å | |
| C17 | N14 | sing | 1.47Å | 1.49Å | |
| C34 | C36 | sing | 1.54Å | 1.51Å | |
| C34 | C33 | sing | 1.54Å | 1.50Å | |
| C11 | N8 | sing | 1.48Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C29 | C27 | sing | 1.53Å | 1.51Å | |
| O32 | C31 | doub | 1.21Å | 1.23Å | |
| C27 | C30 | sing | 1.53Å | 1.52Å | |
| C36 | C33 | sing | 1.53Å | 1.51Å | |
| C31 | N26 | sing | 1.34Å | 1.35Å | |
| N6 | N5 | doub | 1.29Å | 1.34Å | Aromatic |
| N14 | C13 | sing | 1.47Å | 1.49Å | |
| C16 | C10 | sing | 1.53Å | 1.54Å | |
| C3 | N8 | sing | 1.39Å | 1.43Å | |
| C3 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| N8 | C9 | sing | 1.48Å | 1.45Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C33 | N26 | sing | 1.46Å | 1.42Å | |
| N26 | C25 | sing | 1.46Å | 1.47Å | |
| N5 | C4 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | O7 | sing | 1.36Å | 1.38Å | |
| O7 | C18 | sing | 1.36Å | 1.37Å | |
| C25 | C19 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | F24 | sing | 1.35Å | 1.34Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C35 | C31 | 101.3° | 105.8° |
| C35 | C34 | C36 | 116.6° | 118.3° |
| C35 | C34 | C33 | 108.9° | 104.1° |
| C35 | C34 | H27 | 118.8° | 118.1° |
| C34 | C35 | H28 | 111.5° | 110.2° |
| C34 | C35 | H29 | 111.5° | 110.1° |
| C35 | C31 | O32 | 123.7° | 124.5° |
| C35 | C31 | N26 | 110.9° | 110.9° |
| C31 | C35 | H28 | 111.5° | 110.2° |
| C31 | C35 | H29 | 111.5° | 110.2° |
| N2 | C1 | N6 | 125.3° | 121.1° |
| C1 | N2 | C3 | 116.9° | 119.5° |
| N2 | C1 | H14 | 117.4° | 119.5° |
| C1 | N6 | N5 | 118.6° | 121.7° |
| N6 | C1 | H14 | 117.3° | 119.4° |
| N2 | C3 | N8 | 117.4° | 120.8° |
| N2 | C3 | C4 | 118.8° | 118.4° |
| C29 | C28 | C27 | 60.2° | 60.0° |
| C28 | C29 | C27 | 59.9° | 60.0° |
| C29 | C28 | H19 | 120.0° | 117.5° |
| C29 | C28 | H20 | 120.0° | 117.5° |
| C28 | C29 | H21 | 120.0° | 117.5° |
| C28 | C29 | H22 | 120.0° | 117.5° |
| C28 | C27 | C17 | 117.8° | 117.5° |
| C28 | C27 | C29 | 59.9° | 60.0° |
| C28 | C27 | C30 | 117.9° | 117.5° |
| C27 | C28 | H19 | 120.0° | 117.5° |
| C27 | C28 | H20 | 120.0° | 117.5° |
| N14 | C15 | C16 | 110.8° | 109.4° |
| C15 | N14 | C17 | 111.1° | 111.0° |
| C15 | N14 | C13 | 111.1° | 111.5° |
| N14 | C15 | H9 | 109.1° | 109.5° |
| N14 | C15 | H10 | 109.1° | 109.5° |
| C15 | C16 | C10 | 112.3° | 109.0° |
| C15 | C16 | H7 | 108.8° | 109.6° |
| C15 | C16 | H8 | 108.8° | 109.6° |
| C16 | C15 | H9 | 109.1° | 109.5° |
| C16 | C15 | H10 | 109.1° | 109.5° |
| C27 | C17 | N14 | 113.7° | 109.4° |
| C17 | C27 | C29 | 118.5° | 117.5° |
| C17 | C27 | C30 | 113.7° | 115.6° |
| C27 | C17 | H5 | 108.4° | 109.5° |
| C27 | C17 | H6 | 108.4° | 109.4° |
| C17 | N14 | C13 | 112.5° | 111.0° |
| N14 | C17 | H5 | 108.4° | 109.5° |
| N14 | C17 | H6 | 108.4° | 109.5° |
| C36 | C34 | C33 | 60.3° | 59.6° |
| C34 | C36 | C33 | 59.3° | 60.1° |
| C36 | C34 | H27 | 118.9° | 119.7° |
| C34 | C36 | H30 | 120.1° | 117.4° |
| C34 | C36 | H31 | 120.1° | 117.4° |
| C34 | C33 | C36 | 60.4° | 60.3° |
| C34 | C33 | N26 | 105.8° | 107.2° |
| C34 | C33 | H26 | 120.0° | 120.7° |
| C33 | C34 | H27 | 119.3° | 122.3° |
| N8 | C11 | C10 | 86.2° | 87.8° |
| C11 | N8 | C3 | 124.3° | 111.0° |
| C11 | N8 | C9 | 96.8° | 88.0° |
| N8 | C11 | H11 | 114.9° | 113.4° |
| N8 | C11 | H12 | 114.9° | 113.5° |
| C11 | C10 | C16 | 116.5° | 114.1° |
| C11 | C10 | C9 | 89.6° | 84.2° |
| C11 | C10 | C12 | 113.8° | 114.2° |
| C10 | C11 | H11 | 115.0° | 113.5° |
| C10 | C11 | H12 | 114.9° | 113.6° |
| C29 | C27 | C30 | 119.0° | 117.5° |
| C27 | C29 | H21 | 120.0° | 117.5° |
| C27 | C29 | H22 | 120.0° | 117.5° |
| O32 | C31 | N26 | 124.7° | 124.6° |
| C27 | C30 | H23 | 109.5° | 109.5° |
| C27 | C30 | H24 | 109.5° | 109.5° |
| C27 | C30 | H25 | 109.5° | 109.4° |
| C36 | C33 | N26 | 113.2° | 119.3° |
| C36 | C33 | H26 | 119.7° | 118.9° |
| C33 | C36 | H30 | 120.1° | 117.5° |
| C33 | C36 | H31 | 120.1° | 117.5° |
| C31 | N26 | C33 | 113.0° | 112.1° |
| C31 | N26 | C25 | 125.9° | 124.0° |
| N6 | N5 | C4 | 119.0° | 120.4° |
| N14 | C13 | C12 | 111.4° | 109.4° |
| N14 | C13 | H1 | 109.0° | 109.5° |
| N14 | C13 | H2 | 109.0° | 109.5° |
| C16 | C10 | C9 | 116.1° | 114.2° |
| C16 | C10 | C12 | 106.7° | 113.1° |
| C10 | C16 | H7 | 108.7° | 109.5° |
| C10 | C16 | H8 | 108.8° | 109.5° |
| N8 | C3 | C4 | 123.7° | 120.8° |
| C3 | N8 | C9 | 127.7° | 111.0° |
| C3 | C4 | N5 | 121.4° | 118.9° |
| C3 | C4 | O7 | 119.3° | 120.5° |
| N8 | C9 | C10 | 85.9° | 87.8° |
| N8 | C9 | H32 | 115.0° | 113.5° |
| N8 | C9 | H33 | 115.0° | 113.6° |
| C13 | C12 | C10 | 112.2° | 109.0° |
| C12 | C13 | H1 | 109.0° | 109.5° |
| C12 | C13 | H2 | 109.0° | 109.5° |
| C13 | C12 | H3 | 108.8° | 109.6° |
| C13 | C12 | H4 | 108.8° | 109.5° |
| C9 | C10 | C12 | 113.7° | 114.2° |
| C10 | C9 | H32 | 115.0° | 113.5° |
| C10 | C9 | H33 | 115.0° | 113.5° |
| C10 | C12 | H3 | 108.8° | 109.6° |
| C10 | C12 | H4 | 108.8° | 109.6° |
| C33 | N26 | C25 | 121.0° | 123.9° |
| N26 | C33 | H26 | 121.8° | 117.1° |
| N26 | C25 | C19 | 109.3° | 109.5° |
| N26 | C25 | H17 | 109.5° | 109.5° |
| N26 | C25 | H18 | 109.5° | 109.5° |
| N5 | C4 | O7 | 119.3° | 120.5° |
| C4 | O7 | C18 | 123.1° | 118.0° |
| O7 | C18 | C19 | 118.5° | 120.0° |
| O7 | C18 | C23 | 120.2° | 120.1° |
| C25 | C19 | C18 | 119.3° | 120.0° |
| C25 | C19 | C20 | 120.8° | 120.1° |
| C19 | C25 | H17 | 109.5° | 109.4° |
| C19 | C25 | H18 | 109.5° | 109.5° |
| C19 | C18 | C23 | 121.2° | 119.9° |
| C18 | C19 | C20 | 119.9° | 120.0° |
| C18 | C23 | C22 | 119.3° | 119.9° |
| C18 | C23 | H16 | 120.4° | 120.0° |
| C19 | C20 | C21 | 118.3° | 120.0° |
| C19 | C20 | H15 | 120.8° | 120.0° |
| C23 | C22 | C21 | 119.1° | 120.0° |
| C23 | C22 | H13 | 120.4° | 119.9° |
| C22 | C23 | H16 | 120.4° | 120.0° |
| C20 | C21 | C22 | 122.2° | 120.1° |
| C20 | C21 | F24 | 119.6° | 119.9° |
| C21 | C20 | H15 | 120.9° | 120.0° |
| C22 | C21 | F24 | 118.2° | 120.0° |
| C21 | C22 | H13 | 120.4° | 120.0° |
| H1 | C13 | H2 | 109.5° | 109.4° |
| H3 | C12 | H4 | 109.4° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.4° | 109.6° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 112.8° |
| H17 | C25 | H18 | 109.4° | 109.4° |
| H19 | C28 | H20 | 109.5° | 115.6° |
| H21 | C29 | H22 | 109.4° | 115.6° |
| H23 | C30 | H24 | 109.5° | 109.5° |
| H23 | C30 | H25 | 109.4° | 109.5° |
| H24 | C30 | H25 | 109.5° | 109.5° |
| H28 | C35 | H29 | 109.5° | 110.2° |
| H30 | C36 | H31 | 109.5° | 115.6° |
| H32 | C9 | H33 | 109.5° | 112.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C35 | C31 | H28 | 118.7° | 119.1° |
| C34 | C35 | C31 | H29 | 118.7° | 119.0° |
| C35 | C34 | C36 | C33 | 97.6° | 90.2° |
| C35 | C34 | C36 | H27 | 153.3° | 157.6° |
| C35 | C34 | C33 | H27 | 140.9° | 137.1° |
| C34 | C35 | C31 | O32 | 170.9° | 179.6° |
| C34 | C35 | C31 | N26 | 0.1° | 0.1° |
| C35 | C34 | C33 | N26 | 2.5° | 0.4° |
| C35 | C34 | C33 | H26 | 140.3° | 137.1° |
| C34 | C35 | H28 | H29 | 123.8° | 121.8° |
| C35 | C34 | C36 | H30 | 153.2° | 17.4° |
| C35 | C34 | C36 | H31 | 11.7° | 162.2° |
| C31 | C35 | C34 | C36 | 63.9° | 62.4° |
| C31 | C35 | C34 | C33 | 1.6° | 0.3° |
| C35 | C31 | O32 | N26 | 169.8° | 179.8° |
| C35 | C31 | N26 | C33 | 1.5° | 0.1° |
| C35 | C31 | N26 | C25 | 177.9° | 179.8° |
| C31 | C35 | C34 | H27 | 142.7° | 139.6° |
| C31 | C35 | H28 | H29 | 123.8° | 121.8° |
| N2 | C1 | N6 | H14 | 180.0° | 180.0° |
| N2 | C1 | N6 | N5 | 0.2° | 0.0° |
| C1 | N2 | C3 | N8 | 178.2° | 180.0° |
| C1 | N2 | C3 | C4 | 1.9° | 0.0° |
| N6 | C1 | N2 | C3 | 0.5° | 0.0° |
| C1 | N6 | N5 | C4 | 0.7° | 0.0° |
| N2 | C3 | N8 | C11 | 32.2° | 5.9° |
| N2 | C3 | N8 | C4 | 176.1° | 180.0° |
| N2 | C3 | N8 | C9 | 167.2° | 90.2° |
| N2 | C3 | C4 | N5 | 2.8° | 0.0° |
| N2 | C3 | C4 | O7 | 179.8° | 180.0° |
| C3 | N2 | C1 | H14 | 179.5° | 180.0° |
| C29 | C28 | C27 | H19 | 109.5° | 107.5° |
| C29 | C28 | C27 | H20 | 109.5° | 107.5° |
| C28 | C29 | C27 | C17 | 107.3° | 107.5° |
| C28 | C29 | C27 | H21 | 109.5° | 107.5° |
| C28 | C29 | C27 | H22 | 109.5° | 107.5° |
| C29 | C28 | C27 | C30 | 109.1° | 107.5° |
| C29 | C28 | H19 | H20 | 144.6° | 145.7° |
| C28 | C29 | H21 | H22 | 144.8° | 145.7° |
| C28 | C27 | C17 | C30 | 143.8° | 145.6° |
| C28 | C27 | C17 | N14 | 157.6° | 179.9° |
| C28 | C27 | C17 | H5 | 37.0° | 59.9° |
| C28 | C27 | C17 | H6 | 81.8° | 60.1° |
| C27 | C28 | H19 | H20 | 144.6° | 145.7° |
| C28 | C27 | C30 | H23 | 180.0° | 60.1° |
| C28 | C27 | C30 | H24 | 60.0° | 59.9° |
| C28 | C27 | C30 | H25 | 60.0° | 179.9° |
| N14 | C15 | C16 | H9 | 120.2° | 120.0° |
| N14 | C15 | C16 | H10 | 120.2° | 120.0° |
| C15 | N14 | C17 | C27 | 176.9° | 170.0° |
| C15 | N14 | C17 | C13 | 125.2° | 124.6° |
| N14 | C15 | C16 | C10 | 57.6° | 56.6° |
| C15 | N14 | C13 | C12 | 56.3° | 63.6° |
| C15 | N14 | C13 | H1 | 176.6° | 56.4° |
| C15 | N14 | C13 | H2 | 64.0° | 176.4° |
| C15 | N14 | C17 | H5 | 56.3° | 70.0° |
| C15 | N14 | C17 | H6 | 62.5° | 50.0° |
| N14 | C15 | C16 | H7 | 178.1° | 176.5° |
| N14 | C15 | C16 | H8 | 62.8° | 63.2° |
| N14 | C15 | H9 | H10 | 119.4° | 120.0° |
| C16 | C15 | N14 | C17 | 178.0° | 172.1° |
| C15 | C16 | C10 | C11 | 72.0° | 79.2° |
| C16 | C15 | N14 | C13 | 56.1° | 63.6° |
| C15 | C16 | C10 | H7 | 120.4° | 119.9° |
| C15 | C16 | C10 | H8 | 120.4° | 119.9° |
| C15 | C16 | C10 | C9 | 175.7° | 173.8° |
| C15 | C16 | C10 | C12 | 56.3° | 53.4° |
| C15 | C16 | H7 | H8 | 118.7° | 120.3° |
| C16 | C15 | H9 | H10 | 119.4° | 120.0° |
| C27 | C17 | N14 | H5 | 120.6° | 120.0° |
| C27 | C17 | N14 | H6 | 120.6° | 119.9° |
| C17 | C27 | C29 | C30 | 145.4° | 145.1° |
| C27 | C17 | N14 | C13 | 51.7° | 65.4° |
| C27 | C17 | H5 | H6 | 118.1° | 120.0° |
| C17 | C27 | C28 | H19 | 0.9° | 145.0° |
| C17 | C27 | C28 | H20 | 141.9° | 0.0° |
| C17 | C27 | C29 | H21 | 143.2° | 0.0° |
| C17 | C27 | C29 | H22 | 2.1° | 145.0° |
| C17 | C27 | C30 | H23 | 36.2° | 85.6° |
| C17 | C27 | C30 | H24 | 83.8° | 154.5° |
| C17 | C27 | C30 | H25 | 156.2° | 34.4° |
| N14 | C17 | C27 | C29 | 88.7° | 111.3° |
| N14 | C17 | C27 | C30 | 58.5° | 34.4° |
| C17 | N14 | C13 | C12 | 178.5° | 172.1° |
| C17 | N14 | C13 | H1 | 58.2° | 67.9° |
| C17 | N14 | C13 | H2 | 61.2° | 52.1° |
| N14 | C17 | H5 | H6 | 118.1° | 120.0° |
| C17 | N14 | C15 | H9 | 61.9° | 52.1° |
| C17 | N14 | C15 | H10 | 57.8° | 67.9° |
| C36 | C34 | C33 | H27 | 108.6° | 108.0° |
| C34 | C36 | C33 | H30 | 109.3° | 107.5° |
| C34 | C36 | C33 | H31 | 109.3° | 107.4° |
| C36 | C34 | C33 | N26 | 108.0° | 114.4° |
| C36 | C34 | C33 | H26 | 109.2° | 108.0° |
| C36 | C34 | C35 | H28 | 54.8° | 178.5° |
| C36 | C34 | C35 | H29 | 177.4° | 56.6° |
| C34 | C36 | H30 | H31 | 145.1° | 145.4° |
| C34 | C33 | N26 | C31 | 2.5° | 0.4° |
| C34 | C33 | N26 | H26 | 141.9° | 139.3° |
| C34 | C33 | N26 | C25 | 179.1° | 179.6° |
| C33 | C34 | C35 | H28 | 120.3° | 118.8° |
| C33 | C34 | C35 | H29 | 117.1° | 119.4° |
| N8 | C11 | C10 | H11 | 115.8° | 114.7° |
| N8 | C11 | C10 | H12 | 115.8° | 114.8° |
| N8 | C11 | C10 | C16 | 110.3° | 88.3° |
| C11 | N8 | C3 | C9 | 135.0° | 96.1° |
| C11 | N8 | C3 | C4 | 151.7° | 174.1° |
| N8 | C11 | C10 | C9 | 9.0° | 25.6° |
| N8 | C11 | C10 | C12 | 124.9° | 139.6° |
| N8 | C11 | H11 | H12 | 131.1° | 130.8° |
| C11 | N8 | C9 | H32 | 106.1° | 141.2° |
| C11 | N8 | C9 | H33 | 125.3° | 88.3° |
| C11 | C10 | C16 | C9 | 103.7° | 94.5° |
| C11 | C10 | C16 | C12 | 128.3° | 132.7° |
| C10 | C11 | N8 | C3 | 155.3° | 138.2° |
| C11 | C10 | C12 | C13 | 73.8° | 79.2° |
| C11 | C10 | C9 | C12 | 115.9° | 113.9° |
| C11 | C10 | C12 | H3 | 165.8° | 160.9° |
| C11 | C10 | C12 | H4 | 46.7° | 40.7° |
| C11 | C10 | C16 | H7 | 48.5° | 40.7° |
| C11 | C10 | C16 | H8 | 167.6° | 160.9° |
| C10 | C11 | H11 | H12 | 131.1° | 130.9° |
| C11 | C10 | C9 | H32 | 106.8° | 140.4° |
| C11 | C10 | C9 | H33 | 124.7° | 89.2° |
| C29 | C27 | C17 | H5 | 31.9° | 8.7° |
| C29 | C27 | C17 | H6 | 150.7° | 128.8° |
| C27 | C29 | H21 | H22 | 144.8° | 145.7° |
| C29 | C27 | C30 | H23 | 110.8° | 128.7° |
| C29 | C27 | C30 | H24 | 129.1° | 8.7° |
| C29 | C27 | C30 | H25 | 9.1° | 111.3° |
| O32 | C31 | N26 | C33 | 172.4° | 179.9° |
| O32 | C31 | N26 | C25 | 11.2° | 0.0° |
| O32 | C31 | C35 | H28 | 52.2° | 61.2° |
| O32 | C31 | C35 | H29 | 70.5° | 60.6° |
| C30 | C27 | C17 | H5 | 179.1° | 154.4° |
| C30 | C27 | C17 | H6 | 62.1° | 85.5° |
| C30 | C27 | C28 | H19 | 141.4° | 0.0° |
| C30 | C27 | C28 | H20 | 0.4° | 145.0° |
| C30 | C27 | C29 | H21 | 2.2° | 145.1° |
| C30 | C27 | C29 | H22 | 143.3° | 0.0° |
| C27 | C30 | H23 | H24 | 120.0° | 120.0° |
| C27 | C30 | H23 | H25 | 120.0° | 120.0° |
| C27 | C30 | H24 | H25 | 120.0° | 120.0° |
| C36 | C33 | N26 | C31 | 66.5° | 65.5° |
| C36 | C33 | N26 | H26 | 154.0° | 155.6° |
| C36 | C33 | N26 | C25 | 116.9° | 114.5° |
| C33 | C36 | H30 | H31 | 145.1° | 145.8° |
| C31 | N26 | C33 | C25 | 176.6° | 180.0° |
| C31 | N26 | C25 | C19 | 128.2° | 92.0° |
| C31 | N26 | C25 | H17 | 111.8° | 28.0° |
| C31 | N26 | C25 | H18 | 8.2° | 147.9° |
| C31 | N26 | C33 | H26 | 139.5° | 138.9° |
| N26 | C31 | C35 | H28 | 118.8° | 119.0° |
| N26 | C31 | C35 | H29 | 118.5° | 119.2° |
| N6 | N5 | C4 | C3 | 2.1° | 0.0° |
| N6 | N5 | C4 | O7 | 179.5° | 180.0° |
| N5 | N6 | C1 | H14 | 179.8° | 180.0° |
| N14 | C13 | C12 | H1 | 120.3° | 120.0° |
| N14 | C13 | C12 | H2 | 120.3° | 120.0° |
| N14 | C13 | C12 | C10 | 58.0° | 56.7° |
| N14 | C13 | H1 | H2 | 119.1° | 120.0° |
| N14 | C13 | C12 | H3 | 62.4° | 63.3° |
| N14 | C13 | C12 | H4 | 178.4° | 176.6° |
| C13 | N14 | C17 | H5 | 68.9° | 54.6° |
| C13 | N14 | C17 | H6 | 172.4° | 174.6° |
| C13 | N14 | C15 | H9 | 64.1° | 176.4° |
| C13 | N14 | C15 | H10 | 176.3° | 56.4° |
| C16 | C10 | C9 | N8 | 110.6° | 88.2° |
| C16 | C10 | C12 | C13 | 56.2° | 53.5° |
| C16 | C10 | C9 | C12 | 124.5° | 132.3° |
| C16 | C10 | C12 | H3 | 64.3° | 66.5° |
| C16 | C10 | C12 | H4 | 176.6° | 173.3° |
| C10 | C16 | H7 | H8 | 118.7° | 120.2° |
| C10 | C16 | C15 | H9 | 62.6° | 176.6° |
| C10 | C16 | C15 | H10 | 177.8° | 63.4° |
| C16 | C10 | C11 | H11 | 5.5° | 157.0° |
| C16 | C10 | C11 | H12 | 133.9° | 26.5° |
| C16 | C10 | C9 | H32 | 133.6° | 26.6° |
| C16 | C10 | C9 | H33 | 5.1° | 157.0° |
| C3 | N8 | C9 | C10 | 153.5° | 138.2° |
| N8 | C3 | C4 | N5 | 178.9° | 180.0° |
| N8 | C3 | C4 | O7 | 3.7° | 0.0° |
| C3 | N8 | C11 | H11 | 88.9° | 23.5° |
| C3 | N8 | C11 | H12 | 39.6° | 107.0° |
| C3 | N8 | C9 | H32 | 37.8° | 107.0° |
| C3 | N8 | C9 | H33 | 90.7° | 23.5° |
| C4 | C3 | N8 | C9 | 16.7° | 89.8° |
| C3 | C4 | N5 | O7 | 177.4° | 180.0° |
| C3 | C4 | O7 | C18 | 173.0° | 174.6° |
| N8 | C9 | C10 | H32 | 115.7° | 114.8° |
| N8 | C9 | C10 | H33 | 115.7° | 114.8° |
| N8 | C9 | C10 | C12 | 124.9° | 139.5° |
| C9 | N8 | C11 | H11 | 125.4° | 88.2° |
| C9 | N8 | C11 | H12 | 106.2° | 141.3° |
| N8 | C9 | H32 | H33 | 131.3° | 130.9° |
| C13 | C12 | C10 | C9 | 174.5° | 173.8° |
| C13 | C12 | C10 | H3 | 120.4° | 119.9° |
| C13 | C12 | C10 | H4 | 120.4° | 119.9° |
| C12 | C13 | H1 | H2 | 119.1° | 120.1° |
| C13 | C12 | H3 | H4 | 118.8° | 120.1° |
| C9 | C10 | C12 | H3 | 65.1° | 66.3° |
| C9 | C10 | C12 | H4 | 54.0° | 53.9° |
| C9 | C10 | C16 | H7 | 55.2° | 53.9° |
| C9 | C10 | C16 | H8 | 63.9° | 66.4° |
| C9 | C10 | C11 | H11 | 124.8° | 89.1° |
| C9 | C10 | C11 | H12 | 106.8° | 140.4° |
| C10 | C9 | H32 | H33 | 131.3° | 130.8° |
| C10 | C12 | C13 | H1 | 178.2° | 63.3° |
| C10 | C12 | C13 | H2 | 62.3° | 176.6° |
| C10 | C12 | H3 | H4 | 118.8° | 120.3° |
| C12 | C10 | C16 | H7 | 176.8° | 173.3° |
| C12 | C10 | C16 | H8 | 64.1° | 66.4° |
| C12 | C10 | C11 | H11 | 119.3° | 24.9° |
| C12 | C10 | C11 | H12 | 9.1° | 105.7° |
| C12 | C10 | C9 | H32 | 9.2° | 105.7° |
| C12 | C10 | C9 | H33 | 119.4° | 24.7° |
| C33 | N26 | C25 | C19 | 47.9° | 88.0° |
| C33 | N26 | C25 | H17 | 72.1° | 152.0° |
| C33 | N26 | C25 | H18 | 167.9° | 32.1° |
| N26 | C33 | C34 | H27 | 143.4° | 137.5° |
| N26 | C33 | C36 | H30 | 155.1° | 13.5° |
| N26 | C33 | C36 | H31 | 13.7° | 158.6° |
| N26 | C25 | C19 | H17 | 120.0° | 120.0° |
| N26 | C25 | C19 | H18 | 120.0° | 120.1° |
| N26 | C25 | C19 | C18 | 65.5° | 80.6° |
| N26 | C25 | C19 | C20 | 113.3° | 99.3° |
| N26 | C25 | H17 | H18 | 120.0° | 120.0° |
| C25 | N26 | C33 | H26 | 37.1° | 41.1° |
| N5 | C4 | O7 | C18 | 9.5° | 5.4° |
| C4 | O7 | C18 | C19 | 107.2° | 86.5° |
| C4 | O7 | C18 | C23 | 74.2° | 93.7° |
| O7 | C18 | C19 | C25 | 1.9° | 0.2° |
| O7 | C18 | C19 | C23 | 178.7° | 179.8° |
| O7 | C18 | C19 | C20 | 179.3° | 179.7° |
| O7 | C18 | C23 | C22 | 179.2° | 179.8° |
| O7 | C18 | C23 | H16 | 0.8° | 0.2° |
| C25 | C19 | C18 | C20 | 178.9° | 179.9° |
| C25 | C19 | C18 | C23 | 179.5° | 180.0° |
| C25 | C19 | C20 | C21 | 178.9° | 180.0° |
| C25 | C19 | C20 | H15 | 1.1° | 0.1° |
| C19 | C25 | H17 | H18 | 120.1° | 120.0° |
| C19 | C18 | C23 | C22 | 0.6° | 0.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.1° |
| C18 | C19 | C20 | H15 | 179.9° | 180.0° |
| C19 | C18 | C23 | H16 | 179.4° | 180.0° |
| C18 | C19 | C25 | H17 | 174.5° | 159.4° |
| C18 | C19 | C25 | H18 | 54.4° | 39.5° |
| C23 | C18 | C19 | C20 | 0.6° | 0.1° |
| C18 | C23 | C22 | H16 | 180.0° | 180.0° |
| C18 | C23 | C22 | C21 | 0.0° | 0.0° |
| C18 | C23 | C22 | H13 | 179.9° | 179.9° |
| C19 | C20 | C21 | H15 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.5° | 0.0° |
| C19 | C20 | C21 | F24 | 179.9° | 180.0° |
| C20 | C19 | C25 | H17 | 6.7° | 20.6° |
| C20 | C19 | C25 | H18 | 126.7° | 140.6° |
| C23 | C22 | C21 | C20 | 0.5° | 0.0° |
| C23 | C22 | C21 | H13 | 180.0° | 179.9° |
| C23 | C22 | C21 | F24 | 179.9° | 180.0° |
| C20 | C21 | C22 | F24 | 179.3° | 180.0° |
| C20 | C21 | C22 | H13 | 179.5° | 179.9° |
| C22 | C21 | C20 | H15 | 179.5° | 179.9° |
| C21 | C22 | C23 | H16 | 180.0° | 179.9° |
| F24 | C21 | C22 | H13 | 0.2° | 0.1° |
| F24 | C21 | C20 | H15 | 0.1° | 0.1° |
| H1 | C13 | C12 | H3 | 57.8° | 176.7° |
| H1 | C13 | C12 | H4 | 61.3° | 56.6° |
| H2 | C13 | C12 | H3 | 177.3° | 56.7° |
| H2 | C13 | C12 | H4 | 58.1° | 63.4° |
| H7 | C16 | C15 | H9 | 57.9° | 63.5° |
| H7 | C16 | C15 | H10 | 61.7° | 56.5° |
| H8 | C16 | C15 | H9 | 177.0° | 56.8° |
| H8 | C16 | C15 | H10 | 57.4° | 176.8° |
| H13 | C22 | C23 | H16 | 0.1° | 0.0° |
| H19 | C28 | C29 | H21 | 141.0° | 145.0° |
| H19 | C28 | C29 | H22 | 0.1° | 0.0° |
| H20 | C28 | C29 | H21 | 0.1° | 0.0° |
| H20 | C28 | C29 | H22 | 141.0° | 145.1° |
| H23 | C30 | H24 | H25 | 119.9° | 120.0° |
| H26 | C33 | C34 | H27 | 0.6° | 0.0° |
| H26 | C33 | C36 | H30 | 0.5° | 141.7° |
| H26 | C33 | C36 | H31 | 141.0° | 3.4° |
| H27 | C34 | C35 | H28 | 98.6° | 20.5° |
| H27 | C34 | C35 | H29 | 24.1° | 101.4° |
| H27 | C34 | C36 | H30 | 0.1° | 140.2° |
| H27 | C34 | C36 | H31 | 141.6° | 4.6° |
