A1C5R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C6 | sing | 1.54Å | 1.52Å | |
| C3 | C16 | sing | 1.47Å | 1.56Å | |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C17 | sing | 1.40Å | 1.37Å | Aromatic |
| C4 | F31 | sing | 1.35Å | 1.35Å | |
| C5 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | N27 | sing | 1.48Å | 1.47Å | |
| C7 | C10 | sing | 1.53Å | 1.48Å | |
| C7 | C35 | sing | 1.53Å | 1.49Å | |
| C8 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C15 | doub | 1.39Å | 1.37Å | Aromatic |
| C9 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | N24 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | C19 | sing | 1.51Å | 1.51Å | |
| C11 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C11 | N24 | doub | 1.32Å | 1.33Å | Aromatic |
| C12 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C16 | sing | 1.55Å | 1.52Å | |
| C13 | N27 | sing | 1.45Å | 1.46Å | |
| C14 | C20 | sing | 1.48Å | 1.49Å | |
| C15 | F22 | sing | 1.35Å | 1.36Å | |
| C16 | N28 | sing | 1.46Å | 1.47Å | |
| C17 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | N25 | sing | 1.36Å | 1.39Å | Aromatic |
| C18 | N28 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | N27 | sing | 1.35Å | 1.35Å | |
| C19 | O29 | doub | 1.21Å | 1.23Å | |
| C20 | N26 | sing | 1.35Å | 1.37Å | |
| C20 | O30 | doub | 1.22Å | 1.23Å | |
| C21 | N25 | doub | 1.31Å | 1.31Å | Aromatic |
| C21 | N26 | sing | 1.39Å | 1.36Å | |
| C21 | N28 | sing | 1.37Å | 1.36Å | Aromatic |
| C23 | F32 | sing | 1.35Å | 1.36Å | |
| C33 | N36 | sing | 1.47Å | 1.49Å | |
| C34 | N36 | sing | 1.47Å | 1.49Å | |
| C35 | N36 | sing | 1.47Å | 1.51Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| N26 | H26 | sing | 0.97Å | 1.00Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C33 | H33C | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C34 | H34C | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 115.7° | 109.4° |
| C1 | C2 | C6 | 117.0° | 110.1° |
| C2 | C1 | H1A | 107.9° | 109.5° |
| C2 | C1 | H1B | 107.9° | 109.5° |
| C1 | C2 | H2A | 107.5° | 109.4° |
| C1 | C2 | H2B | 107.6° | 109.3° |
| C1 | C3 | C16 | 115.7° | 114.3° |
| C3 | C1 | H1A | 107.9° | 109.5° |
| C3 | C1 | H1B | 107.9° | 109.5° |
| C1 | C3 | H3A | 107.9° | 108.5° |
| C1 | C3 | H3B | 107.9° | 108.5° |
| C2 | C6 | N27 | 115.6° | 112.1° |
| C2 | C6 | H6A | 107.9° | 108.9° |
| C2 | C6 | H6B | 107.9° | 108.9° |
| C6 | C2 | H2A | 107.6° | 109.4° |
| C6 | C2 | H2B | 107.6° | 109.4° |
| C3 | C16 | C13 | 114.3° | 110.3° |
| C3 | C16 | N28 | 112.9° | 109.3° |
| C16 | C3 | H3A | 107.9° | 108.5° |
| C16 | C3 | H3B | 107.9° | 108.5° |
| C3 | C16 | H16 | 105.9° | 109.3° |
| C5 | C4 | C17 | 123.0° | 119.8° |
| C5 | C4 | F31 | 119.3° | 120.1° |
| C4 | C5 | C23 | 116.8° | 120.4° |
| C4 | C5 | H5 | 121.6° | 119.8° |
| C17 | C4 | F31 | 117.7° | 120.1° |
| C4 | C17 | C18 | 117.5° | 119.5° |
| C4 | C17 | N25 | 131.7° | 133.4° |
| C5 | C23 | C12 | 124.2° | 120.4° |
| C5 | C23 | F32 | 117.9° | 119.8° |
| C23 | C5 | H5 | 121.6° | 119.8° |
| C6 | N27 | C13 | 115.7° | 122.7° |
| C6 | N27 | C19 | 124.4° | 118.6° |
| N27 | C6 | H6A | 107.9° | 108.9° |
| N27 | C6 | H6B | 107.9° | 109.0° |
| C10 | C7 | C35 | 128.2° | 109.4° |
| C7 | C10 | C19 | 115.3° | 109.5° |
| C10 | C7 | H7 | 104.6° | 109.4° |
| C10 | C7 | H1 | 104.6° | 109.4° |
| C7 | C10 | H10A | 108.0° | 109.5° |
| C7 | C10 | H10B | 108.0° | 109.4° |
| C7 | C35 | N36 | 118.3° | 109.4° |
| C35 | C7 | H7 | 104.6° | 109.5° |
| C35 | C7 | H1 | 104.6° | 109.5° |
| C7 | C35 | H35A | 107.2° | 109.5° |
| C7 | C35 | H35B | 107.2° | 109.5° |
| C14 | C8 | C15 | 118.1° | 118.3° |
| C8 | C14 | C9 | 117.5° | 118.9° |
| C8 | C14 | C20 | 119.4° | 120.6° |
| C14 | C8 | H8 | 120.9° | 120.9° |
| C8 | C15 | C11 | 121.0° | 119.2° |
| C8 | C15 | F22 | 118.9° | 120.4° |
| C15 | C8 | H8 | 120.9° | 120.8° |
| C14 | C9 | N24 | 123.9° | 120.6° |
| C9 | C14 | C20 | 122.6° | 120.5° |
| C14 | C9 | H9 | 118.1° | 119.7° |
| C9 | N24 | C11 | 117.6° | 121.9° |
| N24 | C9 | H9 | 118.1° | 119.7° |
| C10 | C19 | N27 | 117.3° | 120.0° |
| C10 | C19 | O29 | 120.4° | 120.0° |
| C19 | C10 | H10A | 108.0° | 109.5° |
| C19 | C10 | H10B | 108.0° | 109.4° |
| C15 | C11 | N24 | 121.9° | 121.0° |
| C11 | C15 | F22 | 120.0° | 120.4° |
| C15 | C11 | H11 | 119.0° | 119.5° |
| N24 | C11 | H11 | 119.0° | 119.5° |
| C18 | C12 | C23 | 115.9° | 119.9° |
| C12 | C18 | C17 | 122.7° | 120.0° |
| C12 | C18 | N28 | 132.2° | 133.9° |
| C18 | C12 | H12 | 122.0° | 120.0° |
| C12 | C23 | F32 | 117.9° | 119.8° |
| C23 | C12 | H12 | 122.0° | 120.1° |
| C16 | C13 | N27 | 112.0° | 109.6° |
| C13 | C16 | N28 | 109.9° | 109.3° |
| C16 | C13 | H13A | 108.8° | 109.4° |
| C16 | C13 | H13B | 108.8° | 109.4° |
| C13 | C16 | H16 | 106.3° | 109.3° |
| C13 | N27 | C19 | 119.8° | 118.7° |
| N27 | C13 | H13A | 108.8° | 109.4° |
| N27 | C13 | H13B | 108.8° | 109.5° |
| C14 | C20 | N26 | 116.1° | 120.0° |
| C14 | C20 | O30 | 121.2° | 120.0° |
| C16 | N28 | C18 | 127.2° | 126.4° |
| C16 | N28 | C21 | 127.2° | 126.4° |
| N28 | C16 | H16 | 106.9° | 109.2° |
| C18 | C17 | N25 | 110.7° | 107.1° |
| C17 | C18 | N28 | 105.1° | 106.1° |
| C17 | N25 | C21 | 104.4° | 109.6° |
| C18 | N28 | C21 | 105.6° | 107.2° |
| N27 | C19 | O29 | 122.2° | 120.0° |
| N26 | C20 | O30 | 122.6° | 120.0° |
| C20 | N26 | C21 | 125.5° | 120.0° |
| C20 | N26 | H26 | 117.3° | 120.0° |
| N25 | C21 | N26 | 124.2° | 125.1° |
| N25 | C21 | N28 | 114.2° | 109.9° |
| N26 | C21 | N28 | 121.5° | 125.0° |
| C21 | N26 | H26 | 117.2° | 120.0° |
| C33 | N36 | C34 | 110.5° | 111.0° |
| C33 | N36 | C35 | 111.3° | 111.0° |
| N36 | C33 | H33A | 109.5° | 109.4° |
| N36 | C33 | H33B | 109.5° | 109.5° |
| N36 | C33 | H33C | 109.5° | 109.5° |
| C34 | N36 | C35 | 111.2° | 111.0° |
| N36 | C34 | H34A | 109.5° | 109.5° |
| N36 | C34 | H34B | 109.4° | 109.4° |
| N36 | C34 | H34C | 109.5° | 109.4° |
| N36 | C35 | H35A | 107.2° | 109.5° |
| N36 | C35 | H35B | 107.2° | 109.5° |
| H6A | C6 | H6B | 109.4° | 108.9° |
| H7 | C7 | H1 | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.4° | 109.5° |
| H2A | C2 | H2B | 109.4° | 109.2° |
| H3A | C3 | H3B | 109.5° | 108.3° |
| H33A | C33 | H33B | 109.4° | 109.5° |
| H33A | C33 | H33C | 109.5° | 109.5° |
| H33B | C33 | H33C | 109.5° | 109.4° |
| H34A | C34 | H34B | 109.5° | 109.6° |
| H34A | C34 | H34C | 109.4° | 109.5° |
| H34B | C34 | H34C | 109.5° | 109.4° |
| H35A | C35 | H35B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H1A | 120.9° | 120.0° |
| C2 | C1 | C3 | H1B | 120.9° | 120.0° |
| C1 | C2 | C6 | H2A | 121.1° | 120.2° |
| C1 | C2 | C6 | H2B | 121.1° | 120.2° |
| C2 | C1 | C3 | C16 | 68.8° | 85.0° |
| C1 | C2 | C6 | N27 | 27.8° | 40.6° |
| C1 | C2 | C6 | H6A | 148.8° | 161.2° |
| C1 | C2 | C6 | H6B | 93.1° | 80.1° |
| C2 | C1 | H1A | H1B | 117.2° | 120.1° |
| C1 | C2 | H2A | H2B | 116.6° | 119.6° |
| C2 | C1 | C3 | H3A | 170.3° | 153.8° |
| C2 | C1 | C3 | H3B | 52.1° | 36.2° |
| C3 | C1 | C2 | C6 | 79.3° | 91.9° |
| C1 | C3 | C16 | H3A | 120.9° | 121.3° |
| C1 | C3 | C16 | H3B | 120.9° | 121.2° |
| C1 | C3 | C16 | C13 | 51.5° | 62.8° |
| C1 | C3 | C16 | N28 | 178.1° | 176.9° |
| C3 | C1 | H1A | H1B | 117.2° | 120.0° |
| C3 | C1 | C2 | H2A | 41.8° | 147.9° |
| C3 | C1 | C2 | H2B | 159.6° | 28.4° |
| C1 | C3 | H3A | H3B | 117.2° | 117.6° |
| C1 | C3 | C16 | H16 | 65.2° | 57.5° |
| C2 | C6 | N27 | H6A | 120.9° | 120.6° |
| C2 | C6 | N27 | H6B | 120.9° | 120.6° |
| C2 | C6 | N27 | C13 | 50.9° | 42.2° |
| C2 | C6 | N27 | C19 | 130.1° | 138.0° |
| C2 | C6 | H6A | H6B | 117.2° | 118.7° |
| C6 | C2 | C1 | H1A | 41.7° | 28.1° |
| C6 | C2 | C1 | H1B | 159.8° | 148.1° |
| C6 | C2 | H2A | H2B | 116.6° | 119.7° |
| C3 | C16 | C13 | N28 | 128.2° | 120.3° |
| C3 | C16 | C13 | H16 | 116.5° | 120.2° |
| C3 | C16 | C13 | N27 | 70.4° | 71.3° |
| C3 | C16 | N28 | H16 | 116.1° | 119.6° |
| C3 | C16 | N28 | C18 | 121.8° | 119.1° |
| C3 | C16 | N28 | C21 | 59.5° | 60.9° |
| C3 | C16 | C13 | H13A | 169.3° | 168.8° |
| C3 | C16 | C13 | H13B | 50.0° | 48.8° |
| C16 | C3 | C1 | H1A | 52.1° | 35.0° |
| C16 | C3 | C1 | H1B | 170.3° | 155.0° |
| C16 | C3 | H3A | H3B | 117.2° | 117.6° |
| C5 | C4 | C17 | F31 | 179.7° | 179.7° |
| C4 | C5 | C23 | H5 | 180.0° | 179.9° |
| C4 | C5 | C23 | C12 | 0.2° | 0.1° |
| C5 | C4 | C17 | C18 | 0.4° | 0.0° |
| C5 | C4 | C17 | N25 | 175.6° | 180.0° |
| C4 | C5 | C23 | F32 | 179.3° | 179.9° |
| C17 | C4 | C5 | C23 | 0.2° | 0.1° |
| C4 | C17 | C18 | C12 | 0.2° | 0.0° |
| C4 | C17 | C18 | N25 | 176.9° | 180.0° |
| C4 | C17 | C18 | N28 | 176.9° | 180.0° |
| C4 | C17 | N25 | C21 | 176.2° | 180.0° |
| C17 | C4 | C5 | H5 | 179.8° | 180.0° |
| F31 | C4 | C5 | C23 | 179.5° | 179.7° |
| F31 | C4 | C17 | C18 | 179.3° | 179.7° |
| F31 | C4 | C17 | N25 | 4.7° | 0.3° |
| F31 | C4 | C5 | H5 | 0.5° | 0.3° |
| C5 | C23 | C12 | C18 | 0.4° | 0.0° |
| C5 | C23 | C12 | F32 | 179.5° | 180.0° |
| C5 | C23 | C12 | H12 | 179.6° | 180.0° |
| C6 | N27 | C19 | C10 | 2.7° | 0.1° |
| C6 | N27 | C13 | C16 | 94.7° | 90.8° |
| C6 | N27 | C13 | C19 | 179.0° | 179.9° |
| C6 | N27 | C19 | O29 | 178.6° | 180.0° |
| N27 | C6 | H6A | H6B | 117.2° | 118.7° |
| C6 | N27 | C13 | H13A | 144.9° | 149.3° |
| C6 | N27 | C13 | H13B | 25.7° | 29.2° |
| N27 | C6 | C2 | H2A | 93.2° | 160.8° |
| N27 | C6 | C2 | H2B | 149.0° | 79.6° |
| C10 | C7 | C35 | H7 | 122.5° | 119.9° |
| C10 | C7 | C35 | H1 | 122.4° | 120.0° |
| C7 | C10 | C19 | H10A | 120.9° | 120.1° |
| C7 | C10 | C19 | H10B | 120.8° | 119.9° |
| C7 | C10 | C19 | N27 | 152.6° | 180.0° |
| C7 | C10 | C19 | O29 | 26.1° | 0.1° |
| C10 | C7 | C35 | N36 | 30.8° | 180.0° |
| C10 | C7 | H7 | H1 | 111.6° | 120.0° |
| C7 | C10 | H10A | H10B | 117.4° | 120.0° |
| C10 | C7 | C35 | H35A | 90.5° | 60.1° |
| C10 | C7 | C35 | H35B | 152.0° | 60.0° |
| C35 | C7 | C10 | C19 | 98.3° | 180.0° |
| C7 | C35 | N36 | C33 | 90.9° | 170.0° |
| C7 | C35 | N36 | C34 | 145.4° | 66.1° |
| C7 | C35 | N36 | H35A | 121.3° | 120.0° |
| C7 | C35 | N36 | H35B | 121.3° | 120.0° |
| C35 | C7 | H7 | H1 | 111.6° | 120.1° |
| C35 | C7 | C10 | H10A | 22.6° | 60.0° |
| C35 | C7 | C10 | H10B | 140.9° | 60.0° |
| C7 | C35 | H35A | H35B | 116.0° | 120.0° |
| C14 | C8 | C15 | H8 | 180.0° | 179.8° |
| C8 | C14 | C9 | C20 | 172.2° | 180.0° |
| C8 | C14 | C9 | N24 | 0.9° | 0.1° |
| C14 | C8 | C15 | C11 | 0.2° | 0.0° |
| C14 | C8 | C15 | F22 | 177.5° | 180.0° |
| C8 | C14 | C20 | N26 | 162.1° | 180.0° |
| C8 | C14 | C20 | O30 | 17.2° | 0.0° |
| C8 | C14 | C9 | H9 | 179.1° | 180.0° |
| C15 | C8 | C14 | C9 | 0.7° | 0.0° |
| C8 | C15 | C11 | F22 | 177.2° | 180.0° |
| C8 | C15 | C11 | N24 | 0.2° | 0.1° |
| C15 | C8 | C14 | C20 | 171.7° | 180.0° |
| C8 | C15 | C11 | H11 | 179.8° | 180.0° |
| C14 | C9 | N24 | H9 | 180.0° | 179.9° |
| C14 | C9 | N24 | C11 | 0.5° | 0.1° |
| C9 | C14 | C20 | N26 | 9.9° | 0.0° |
| C9 | C14 | C20 | O30 | 170.8° | 179.9° |
| C9 | C14 | C8 | H8 | 179.3° | 179.8° |
| C9 | N24 | C11 | C15 | 0.1° | 0.1° |
| N24 | C9 | C14 | C20 | 171.3° | 180.0° |
| C9 | N24 | C11 | H11 | 179.9° | 180.0° |
| C10 | C19 | N27 | C13 | 176.2° | 180.0° |
| C10 | C19 | N27 | O29 | 178.7° | 179.9° |
| C19 | C10 | C7 | H7 | 24.2° | 60.1° |
| C19 | C10 | C7 | H1 | 139.3° | 60.0° |
| C19 | C10 | H10A | H10B | 117.4° | 120.0° |
| C15 | C11 | N24 | H11 | 180.0° | 179.9° |
| C11 | C15 | C8 | H8 | 179.8° | 179.8° |
| N24 | C11 | C15 | F22 | 177.0° | 180.0° |
| C11 | N24 | C9 | H9 | 179.6° | 180.0° |
| C18 | C12 | C23 | H12 | 180.0° | 180.0° |
| C12 | C18 | N28 | C16 | 2.9° | 0.0° |
| C12 | C18 | C17 | N28 | 176.7° | 180.0° |
| C12 | C18 | C17 | N25 | 176.6° | 180.0° |
| C12 | C18 | N28 | C21 | 176.1° | 180.0° |
| C18 | C12 | C23 | F32 | 179.1° | 180.0° |
| C23 | C12 | C18 | C17 | 0.2° | 0.0° |
| C23 | C12 | C18 | N28 | 175.5° | 180.0° |
| C12 | C23 | C5 | H5 | 179.8° | 180.0° |
| C16 | C13 | N27 | H13A | 120.4° | 120.0° |
| C16 | C13 | N27 | H13B | 120.4° | 120.0° |
| C13 | C16 | N28 | H16 | 115.0° | 119.6° |
| C13 | C16 | N28 | C18 | 109.3° | 120.0° |
| C16 | C13 | N27 | C19 | 86.3° | 89.3° |
| C13 | C16 | N28 | C21 | 69.4° | 60.0° |
| C16 | C13 | H13A | H13B | 118.8° | 119.9° |
| C13 | C16 | C3 | H3A | 172.4° | 176.0° |
| C13 | C16 | C3 | H3B | 69.4° | 58.5° |
| N27 | C13 | C16 | N28 | 161.5° | 168.4° |
| C13 | N27 | C19 | O29 | 2.5° | 0.2° |
| C13 | N27 | C6 | H6A | 70.0° | 78.5° |
| C13 | N27 | C6 | H6B | 171.8° | 162.8° |
| N27 | C13 | H13A | H13B | 118.8° | 120.0° |
| N27 | C13 | C16 | H16 | 46.1° | 49.0° |
| C14 | C20 | N26 | O30 | 179.3° | 180.0° |
| C14 | C20 | N26 | C21 | 176.5° | 180.0° |
| C20 | C14 | C8 | H8 | 8.3° | 0.3° |
| C20 | C14 | C9 | H9 | 8.7° | 0.0° |
| C14 | C20 | N26 | H26 | 3.5° | 0.0° |
| F22 | C15 | C8 | H8 | 2.5° | 0.3° |
| F22 | C15 | C11 | H11 | 3.0° | 0.0° |
| C16 | N28 | C18 | C17 | 179.1° | 180.0° |
| C16 | N28 | C18 | C21 | 178.9° | 180.0° |
| C16 | N28 | C21 | N25 | 179.2° | 180.0° |
| C16 | N28 | C21 | N26 | 1.8° | 0.0° |
| N28 | C16 | C13 | H13A | 41.1° | 48.5° |
| N28 | C16 | C13 | H13B | 78.1° | 71.5° |
| N28 | C16 | C3 | H3A | 61.0° | 55.7° |
| N28 | C16 | C3 | H3B | 57.2° | 61.8° |
| C18 | C17 | N25 | C21 | 0.1° | 0.0° |
| C17 | C18 | N28 | C21 | 0.2° | 0.0° |
| C17 | C18 | C12 | H12 | 179.8° | 180.0° |
| N25 | C17 | C18 | N28 | 0.1° | 0.0° |
| C17 | N25 | C21 | N26 | 177.0° | 180.0° |
| C17 | N25 | C21 | N28 | 0.2° | 0.0° |
| C18 | N28 | C21 | N25 | 0.3° | 0.0° |
| C18 | N28 | C21 | N26 | 177.1° | 180.0° |
| N28 | C18 | C12 | H12 | 4.5° | 0.0° |
| C18 | N28 | C16 | H16 | 5.7° | 0.4° |
| C19 | N27 | C6 | H6A | 109.0° | 101.4° |
| C19 | N27 | C6 | H6B | 9.2° | 17.3° |
| N27 | C19 | C10 | H10A | 86.6° | 59.9° |
| N27 | C19 | C10 | H10B | 31.7° | 60.1° |
| C19 | N27 | C13 | H13A | 34.1° | 30.6° |
| C19 | N27 | C13 | H13B | 153.3° | 150.6° |
| O29 | C19 | C10 | H10A | 94.7° | 120.0° |
| O29 | C19 | C10 | H10B | 146.9° | 120.0° |
| C20 | N26 | C21 | N25 | 1.6° | 0.0° |
| C20 | N26 | C21 | H26 | 180.0° | 180.0° |
| C20 | N26 | C21 | N28 | 178.7° | 180.0° |
| O30 | C20 | N26 | C21 | 2.8° | 0.1° |
| O30 | C20 | N26 | H26 | 177.2° | 180.0° |
| N25 | C21 | N26 | N28 | 177.1° | 179.9° |
| N25 | C21 | N26 | H26 | 178.4° | 180.0° |
| C21 | N28 | C16 | H16 | 175.6° | 179.6° |
| N28 | C21 | N26 | H26 | 1.3° | 0.0° |
| F32 | C23 | C5 | H5 | 0.7° | 0.0° |
| F32 | C23 | C12 | H12 | 0.9° | 0.0° |
| C33 | N36 | C34 | C35 | 124.1° | 123.9° |
| N36 | C33 | H33A | H33B | 120.0° | 120.0° |
| N36 | C33 | H33A | H33C | 120.0° | 120.0° |
| N36 | C33 | H33B | H33C | 120.0° | 120.0° |
| C33 | N36 | C34 | H34A | 180.0° | 59.9° |
| C33 | N36 | C34 | H34B | 60.0° | 180.0° |
| C33 | N36 | C34 | H34C | 60.0° | 60.1° |
| C33 | N36 | C35 | H35A | 30.3° | 50.0° |
| C33 | N36 | C35 | H35B | 147.8° | 70.0° |
| C34 | N36 | C33 | H33A | 180.0° | 56.1° |
| C34 | N36 | C33 | H33B | 60.0° | 176.1° |
| C34 | N36 | C33 | H33C | 60.0° | 63.9° |
| N36 | C34 | H34A | H34B | 120.0° | 120.0° |
| N36 | C34 | H34A | H34C | 120.0° | 119.9° |
| N36 | C34 | H34B | H34C | 120.0° | 119.9° |
| C34 | N36 | C35 | H35A | 93.3° | 173.9° |
| C34 | N36 | C35 | H35B | 24.1° | 53.9° |
| N36 | C35 | C7 | H7 | 153.2° | 60.0° |
| N36 | C35 | C7 | H1 | 91.7° | 60.1° |
| C35 | N36 | C33 | H33A | 55.9° | 180.0° |
| C35 | N36 | C33 | H33B | 64.1° | 60.0° |
| C35 | N36 | C33 | H33C | 175.9° | 60.0° |
| C35 | N36 | C34 | H34A | 55.9° | 64.0° |
| C35 | N36 | C34 | H34B | 175.9° | 56.1° |
| C35 | N36 | C34 | H34C | 64.1° | 176.0° |
| N36 | C35 | H35A | H35B | 116.0° | 120.0° |
| H6A | C6 | C2 | H2A | 27.7° | 78.6° |
| H6A | C6 | C2 | H2B | 90.1° | 41.0° |
| H6B | C6 | C2 | H2A | 145.9° | 40.2° |
| H6B | C6 | C2 | H2B | 28.0° | 159.7° |
| H7 | C7 | C10 | H10A | 145.0° | 60.0° |
| H7 | C7 | C10 | H10B | 96.7° | 180.0° |
| H7 | C7 | C35 | H35A | 32.0° | NaN° |
| H7 | C7 | C35 | H35B | 85.5° | 60.0° |
| H1 | C7 | C10 | H10A | 99.9° | 180.0° |
| H1 | C7 | C10 | H10B | 18.4° | 60.0° |
| H1 | C7 | C35 | H35A | 147.1° | 59.9° |
| H1 | C7 | C35 | H35B | 29.6° | 180.0° |
| H13A | C13 | C16 | H16 | 74.2° | 71.0° |
| H13B | C13 | C16 | H16 | 166.5° | 169.0° |
| H1A | C1 | C2 | H2A | 162.8° | 92.1° |
| H1A | C1 | C2 | H2B | 79.4° | 148.3° |
| H1A | C1 | C3 | H3A | 68.8° | 86.3° |
| H1A | C1 | C3 | H3B | 173.0° | 156.2° |
| H1B | C1 | C2 | H2A | 79.1° | 27.9° |
| H1B | C1 | C2 | H2B | 38.7° | 91.6° |
| H1B | C1 | C3 | H3A | 49.4° | 33.8° |
| H1B | C1 | C3 | H3B | 68.8° | 83.8° |
| H3A | C3 | C16 | H16 | 55.7° | 63.8° |
| H3B | C3 | C16 | H16 | 173.9° | 178.7° |
| H33A | C33 | H33B | H33C | 120.0° | 120.0° |
| H34A | C34 | H34B | H34C | 120.0° | 120.1° |
