A1C20
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | C6 | sing | 1.53Å | 1.56Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C2 | N7 | sing | 1.46Å | 1.49Å | |
| C3 | C4 | sing | 1.53Å | 1.57Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.57Å | |
| C5 | N24 | sing | 1.46Å | 1.53Å | |
| N7 | C8 | sing | 1.35Å | 1.35Å | |
| N7 | C12 | sing | 1.47Å | 1.53Å | |
| C8 | O9 | doub | 1.21Å | 1.24Å | |
| C8 | C10 | sing | 1.51Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C14 | C15 | sing | 1.46Å | 1.42Å | Aromatic |
| C14 | C18 | doub | 1.34Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.41Å | 1.45Å | Aromatic |
| C15 | C19 | sing | 1.40Å | 1.44Å | Aromatic |
| C16 | N17 | sing | 1.38Å | 1.36Å | Aromatic |
| C16 | N22 | sing | 1.33Å | 1.38Å | Aromatic |
| N17 | C18 | sing | 1.37Å | 1.36Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C23 | sing | 1.51Å | 1.52Å | |
| C20 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | N22 | doub | 1.32Å | 1.35Å | Aromatic |
| N24 | C25 | sing | 1.35Å | 1.33Å | |
| C25 | O26 | doub | 1.21Å | 1.24Å | |
| C25 | C27 | sing | 1.51Å | 1.50Å | |
| C27 | O28 | sing | 1.43Å | 1.45Å | |
| O28 | C29 | sing | 1.36Å | 1.42Å | |
| C29 | C30 | doub | 1.39Å | 1.42Å | Aromatic |
| C29 | C34 | sing | 1.39Å | 1.42Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | CL35 | sing | 1.74Å | 1.72Å | |
| C33 | C34 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23C | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| N17 | H17 | sing | 0.97Å | 1.00Å | |
| N24 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 114.3° | 109.5° |
| C1 | C2 | C3 | 111.0° | 109.4° |
| C1 | C2 | N7 | 110.6° | 109.5° |
| C2 | C1 | H1B | 108.2° | 109.5° |
| C2 | C1 | H1A | 108.2° | 109.4° |
| C1 | C2 | H2 | 107.5° | 109.4° |
| C1 | C6 | C5 | 111.9° | 109.5° |
| C1 | C6 | H6B | 108.8° | 109.4° |
| C1 | C6 | H6A | 108.9° | 109.5° |
| C6 | C1 | H1B | 108.2° | 109.5° |
| C6 | C1 | H1A | 108.2° | 109.5° |
| C3 | C2 | N7 | 112.0° | 109.5° |
| C2 | C3 | C4 | 116.8° | 109.5° |
| C3 | C2 | H2 | 107.3° | 109.5° |
| C2 | C3 | H3B | 107.6° | 109.5° |
| C2 | C3 | H3A | 107.6° | 109.5° |
| C2 | N7 | C8 | 124.8° | 120.0° |
| C2 | N7 | C12 | 118.1° | 120.0° |
| N7 | C2 | H2 | 108.3° | 109.5° |
| C3 | C4 | C5 | 113.7° | 109.5° |
| C3 | C4 | H4B | 108.4° | 109.4° |
| C3 | C4 | H4A | 108.4° | 109.5° |
| C4 | C3 | H3B | 107.6° | 109.5° |
| C4 | C3 | H3A | 107.6° | 109.5° |
| C4 | C5 | C6 | 107.9° | 109.5° |
| C4 | C5 | N24 | 110.4° | 109.5° |
| C5 | C4 | H4B | 108.4° | 109.5° |
| C5 | C4 | H4A | 108.4° | 109.5° |
| C4 | C5 | H5 | 108.3° | 109.4° |
| C6 | C5 | N24 | 114.1° | 109.5° |
| C6 | C5 | H5 | 107.7° | 109.5° |
| C5 | C6 | H6B | 108.9° | 109.5° |
| C5 | C6 | H6A | 108.8° | 109.5° |
| C5 | N24 | C25 | 122.9° | 120.0° |
| N24 | C5 | H5 | 108.2° | 109.5° |
| C5 | N24 | H24 | 118.5° | 120.0° |
| C8 | N7 | C12 | 117.1° | 120.0° |
| N7 | C8 | O9 | 121.1° | 120.0° |
| N7 | C8 | C10 | 122.7° | 120.0° |
| N7 | C12 | C13 | 117.4° | 109.5° |
| N7 | C12 | H12A | 107.5° | 109.5° |
| N7 | C12 | H12B | 107.5° | 109.5° |
| O9 | C8 | C10 | 116.3° | 120.0° |
| C8 | C10 | C11 | 113.6° | 109.4° |
| C8 | C10 | H10A | 108.4° | 109.5° |
| C8 | C10 | H10B | 108.4° | 109.5° |
| C11 | C10 | H10A | 108.4° | 109.5° |
| C11 | C10 | H10B | 108.4° | 109.5° |
| C10 | C11 | H1 | 109.5° | 109.4° |
| C10 | C11 | H11A | 109.5° | 109.5° |
| C10 | C11 | H11B | 109.4° | 109.4° |
| C12 | C13 | C14 | 107.4° | 109.5° |
| C12 | C13 | H13B | 110.0° | 109.5° |
| C12 | C13 | H13A | 110.0° | 109.5° |
| C13 | C12 | H12A | 107.5° | 109.4° |
| C13 | C12 | H12B | 107.4° | 109.5° |
| C13 | C14 | C15 | 129.7° | 126.6° |
| C13 | C14 | C18 | 123.8° | 126.6° |
| C14 | C13 | H13B | 110.0° | 109.4° |
| C14 | C13 | H13A | 110.0° | 109.5° |
| C15 | C14 | C18 | 106.5° | 106.9° |
| C14 | C15 | C16 | 106.9° | 106.2° |
| C14 | C15 | C19 | 139.1° | 134.3° |
| C14 | C18 | N17 | 108.9° | 109.9° |
| C14 | C18 | H18 | 125.6° | 125.1° |
| C16 | C15 | C19 | 114.0° | 119.5° |
| C15 | C16 | N17 | 106.6° | 107.0° |
| C15 | C16 | N22 | 126.5° | 119.9° |
| C15 | C19 | C20 | 118.7° | 118.0° |
| C15 | C19 | C23 | 122.5° | 121.0° |
| N17 | C16 | N22 | 126.9° | 133.2° |
| C16 | N17 | C18 | 111.1° | 110.0° |
| C16 | N17 | H17 | 124.5° | 125.0° |
| C16 | N22 | C21 | 115.4° | 121.6° |
| N17 | C18 | H18 | 125.5° | 125.0° |
| C18 | N17 | H17 | 124.4° | 125.0° |
| C20 | C19 | C23 | 118.8° | 121.0° |
| C19 | C20 | C21 | 122.1° | 119.4° |
| C19 | C20 | H20 | 119.0° | 120.3° |
| C19 | C23 | H23B | 109.5° | 109.5° |
| C19 | C23 | H23A | 109.5° | 109.5° |
| C19 | C23 | H23C | 109.4° | 109.5° |
| C20 | C21 | N22 | 123.3° | 121.6° |
| C21 | C20 | H20 | 118.9° | 120.3° |
| C20 | C21 | H21 | 118.4° | 119.2° |
| N22 | C21 | H21 | 118.4° | 119.2° |
| N24 | C25 | O26 | 123.5° | 120.0° |
| N24 | C25 | C27 | 118.3° | 120.0° |
| C25 | N24 | H24 | 118.6° | 120.0° |
| O26 | C25 | C27 | 118.1° | 120.0° |
| C25 | C27 | O28 | 113.5° | 109.5° |
| C25 | C27 | H27A | 108.4° | 109.4° |
| C25 | C27 | H27B | 108.5° | 109.5° |
| C27 | O28 | C29 | 119.6° | 117.0° |
| O28 | C27 | H27A | 108.5° | 109.5° |
| O28 | C27 | H27B | 108.4° | 109.5° |
| O28 | C29 | C30 | 120.7° | 120.0° |
| O28 | C29 | C34 | 121.2° | 120.0° |
| C30 | C29 | C34 | 118.0° | 119.9° |
| C29 | C30 | C31 | 121.7° | 120.0° |
| C29 | C30 | H30 | 119.2° | 120.1° |
| C29 | C34 | C33 | 121.1° | 120.0° |
| C29 | C34 | H34 | 119.5° | 120.0° |
| C30 | C31 | C32 | 119.4° | 120.0° |
| C31 | C30 | H30 | 119.1° | 120.0° |
| C30 | C31 | H31 | 120.3° | 120.0° |
| C31 | C32 | C33 | 121.6° | 120.1° |
| C31 | C32 | CL35 | 119.8° | 119.9° |
| C32 | C31 | H31 | 120.3° | 120.0° |
| C33 | C32 | CL35 | 118.6° | 119.9° |
| C32 | C33 | C34 | 118.3° | 120.0° |
| C32 | C33 | H33 | 120.9° | 120.0° |
| C34 | C33 | H33 | 120.8° | 120.0° |
| C33 | C34 | H34 | 119.5° | 120.0° |
| H4B | C4 | H4A | 109.4° | 109.5° |
| H6B | C6 | H6A | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| H13B | C13 | H13A | 109.5° | 109.5° |
| H1B | C1 | H1A | 109.5° | 109.4° |
| H1 | C11 | H11A | 109.5° | 109.5° |
| H1 | C11 | H11B | 109.5° | 109.4° |
| H11A | C11 | H11B | 109.4° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| H23B | C23 | H23A | 109.5° | 109.5° |
| H23B | C23 | H23C | 109.5° | 109.4° |
| H23A | C23 | H23C | 109.5° | 109.4° |
| H27A | C27 | H27B | 109.5° | 109.4° |
| H3B | C3 | H3A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1B | 120.7° | 120.0° |
| C2 | C1 | C6 | H1A | 120.7° | 120.0° |
| C1 | C2 | C3 | N7 | 124.2° | 120.0° |
| C1 | C2 | C3 | H2 | 117.1° | 120.0° |
| C1 | C2 | N7 | H2 | 117.5° | 120.0° |
| C1 | C2 | C3 | C4 | 39.0° | 60.0° |
| C2 | C1 | C6 | C5 | 56.3° | 60.0° |
| C1 | C2 | N7 | C8 | 111.0° | 62.1° |
| C1 | C2 | N7 | C12 | 67.4° | 117.9° |
| C2 | C1 | C6 | H6B | 64.1° | 180.0° |
| C2 | C1 | C6 | H6A | 176.7° | 60.0° |
| C2 | C1 | H1B | H1A | 117.8° | 120.0° |
| C1 | C2 | C3 | H3B | 82.1° | 180.0° |
| C1 | C2 | C3 | H3A | 160.1° | 60.0° |
| C6 | C1 | C2 | C3 | 43.5° | 60.0° |
| C6 | C1 | C2 | N7 | 168.4° | 180.0° |
| C1 | C6 | C5 | C4 | 60.4° | 60.0° |
| C1 | C6 | C5 | H6B | 120.4° | 120.0° |
| C1 | C6 | C5 | H6A | 120.4° | 120.0° |
| C1 | C6 | C5 | N24 | 176.5° | 180.0° |
| C1 | C6 | C5 | H5 | 56.3° | 60.0° |
| C1 | C6 | H6B | H6A | 118.9° | 120.0° |
| C6 | C1 | H1B | H1A | 117.8° | 120.0° |
| C6 | C1 | C2 | H2 | 73.5° | 60.0° |
| C3 | C2 | N7 | H2 | 118.1° | 120.1° |
| C2 | C3 | C4 | H3B | 121.1° | 120.0° |
| C2 | C3 | C4 | H3A | 121.1° | 120.0° |
| C2 | C3 | C4 | C5 | 47.3° | 60.0° |
| C3 | C2 | N7 | C8 | 124.6° | 57.9° |
| C3 | C2 | N7 | C12 | 56.9° | 122.1° |
| C2 | C3 | C4 | H4B | 168.0° | 60.0° |
| C2 | C3 | C4 | H4A | 73.3° | 180.0° |
| C3 | C2 | C1 | H1B | 164.2° | 60.0° |
| C3 | C2 | C1 | H1A | 77.2° | 180.0° |
| C2 | C3 | H3B | H3A | 116.7° | 120.0° |
| N7 | C2 | C3 | C4 | 163.2° | 179.9° |
| C2 | N7 | C8 | C12 | 178.5° | 180.0° |
| C2 | N7 | C8 | O9 | 179.2° | 5.1° |
| C2 | N7 | C8 | C10 | 0.5° | 174.9° |
| C2 | N7 | C12 | C13 | 106.3° | 90.0° |
| N7 | C2 | C1 | H1B | 70.9° | 59.9° |
| N7 | C2 | C1 | H1A | 47.7° | 60.0° |
| C2 | N7 | C12 | H12A | 14.8° | 30.0° |
| C2 | N7 | C12 | H12B | 132.6° | 150.0° |
| N7 | C2 | C3 | H3B | 42.1° | 60.1° |
| N7 | C2 | C3 | H3A | 75.8° | 59.9° |
| C3 | C4 | C5 | H4B | 120.6° | 120.0° |
| C3 | C4 | C5 | H4A | 120.6° | 120.0° |
| C3 | C4 | C5 | C6 | 55.4° | 60.0° |
| C3 | C4 | C5 | N24 | 179.2° | 180.0° |
| C3 | C4 | H4B | H4A | 118.0° | 119.9° |
| C3 | C4 | C5 | H5 | 60.9° | 60.0° |
| C4 | C3 | C2 | H2 | 78.1° | 60.0° |
| C4 | C3 | H3B | H3A | 116.7° | 120.0° |
| C4 | C5 | C6 | N24 | 123.1° | 120.0° |
| C4 | C5 | C6 | H5 | 116.7° | 120.0° |
| C4 | C5 | N24 | H5 | 118.3° | 119.9° |
| C4 | C5 | N24 | C25 | 77.3° | 155.0° |
| C5 | C4 | H4B | H4A | 118.1° | 120.1° |
| C4 | C5 | C6 | H6B | 60.0° | 180.0° |
| C4 | C5 | C6 | H6A | 179.2° | 60.0° |
| C5 | C4 | C3 | H3B | 73.7° | 180.0° |
| C5 | C4 | C3 | H3A | 168.4° | 60.0° |
| C4 | C5 | N24 | H24 | 102.7° | 25.1° |
| C6 | C5 | N24 | H5 | 119.9° | 120.1° |
| C6 | C5 | N24 | C25 | 161.0° | 85.0° |
| C6 | C5 | C4 | H4B | 176.1° | 60.0° |
| C6 | C5 | C4 | H4A | 65.2° | 180.0° |
| C5 | C6 | H6B | H6A | 118.9° | 120.0° |
| C5 | C6 | C1 | H1B | 177.0° | 60.0° |
| C5 | C6 | C1 | H1A | 64.4° | 180.0° |
| C6 | C5 | N24 | H24 | 19.0° | 94.9° |
| C5 | N24 | C25 | H24 | 180.0° | 179.9° |
| C5 | N24 | C25 | O26 | 0.6° | 0.0° |
| C5 | N24 | C25 | C27 | 179.8° | 180.0° |
| N24 | C5 | C4 | H4B | 58.6° | 60.0° |
| N24 | C5 | C4 | H4A | 60.2° | 60.0° |
| N24 | C5 | C6 | H6B | 63.1° | 60.0° |
| N24 | C5 | C6 | H6A | 56.1° | 60.0° |
| N7 | C8 | O9 | C10 | 179.7° | 180.0° |
| N7 | C8 | C10 | C11 | 79.9° | 174.7° |
| C8 | N7 | C12 | C13 | 75.1° | 90.0° |
| N7 | C8 | C10 | H10A | 40.7° | 65.3° |
| N7 | C8 | C10 | H10B | 159.5° | 54.7° |
| C8 | N7 | C12 | H12A | 163.7° | 150.0° |
| C8 | N7 | C12 | H12B | 46.0° | 30.0° |
| C8 | N7 | C2 | H2 | 6.5° | 177.9° |
| C12 | N7 | C8 | O9 | 0.7° | 174.9° |
| C12 | N7 | C8 | C10 | 178.9° | 5.1° |
| N7 | C12 | C13 | H12A | 121.2° | 120.0° |
| N7 | C12 | C13 | H12B | 121.1° | 120.0° |
| N7 | C12 | C13 | C14 | 166.6° | 180.0° |
| N7 | C12 | C13 | H13B | 46.9° | 60.0° |
| N7 | C12 | C13 | H13A | 73.7° | 60.0° |
| N7 | C12 | H12A | H12B | 116.4° | 120.0° |
| C12 | N7 | C2 | H2 | 175.0° | 2.0° |
| O9 | C8 | C10 | C11 | 99.8° | 5.2° |
| O9 | C8 | C10 | H10A | 139.6° | 114.8° |
| O9 | C8 | C10 | H10B | 20.8° | 125.2° |
| C8 | C10 | C11 | H10A | 120.6° | 120.0° |
| C8 | C10 | C11 | H10B | 120.6° | 120.0° |
| C8 | C10 | H10A | H10B | 118.1° | 120.0° |
| C8 | C10 | C11 | H1 | 180.0° | 60.1° |
| C8 | C10 | C11 | H11A | 60.0° | 60.0° |
| C8 | C10 | C11 | H11B | 60.0° | 180.0° |
| C11 | C10 | H10A | H10B | 118.1° | 120.1° |
| C10 | C11 | H1 | H11A | 120.0° | 120.0° |
| C10 | C11 | H1 | H11B | 120.0° | 119.9° |
| C10 | C11 | H11A | H11B | 119.9° | 120.0° |
| C12 | C13 | C14 | H13B | 119.7° | 120.0° |
| C12 | C13 | C14 | H13A | 119.7° | 120.0° |
| C12 | C13 | C14 | C15 | 67.2° | 85.0° |
| C12 | C13 | C14 | C18 | 110.5° | 95.0° |
| C12 | C13 | H13B | H13A | 120.9° | 120.0° |
| C13 | C12 | H12A | H12B | 116.4° | 120.0° |
| C13 | C14 | C15 | C18 | 177.9° | 180.0° |
| C13 | C14 | C15 | C16 | 178.4° | 180.0° |
| C13 | C14 | C15 | C19 | 1.9° | 0.3° |
| C13 | C14 | C18 | N17 | 178.6° | 179.8° |
| C14 | C13 | H13B | H13A | 121.0° | 120.0° |
| C14 | C13 | C12 | H12A | 72.3° | 60.0° |
| C14 | C13 | C12 | H12B | 45.5° | 60.0° |
| C13 | C14 | C18 | H18 | 1.5° | 0.1° |
| C14 | C15 | C16 | C19 | 179.8° | 179.7° |
| C14 | C15 | C16 | N17 | 0.2° | 0.2° |
| C14 | C15 | C16 | N22 | 179.6° | 179.7° |
| C15 | C14 | C18 | N17 | 0.5° | 0.2° |
| C14 | C15 | C19 | C20 | 179.5° | 179.6° |
| C14 | C15 | C19 | C23 | 0.3° | 0.3° |
| C15 | C14 | C13 | H13B | 173.1° | 35.0° |
| C15 | C14 | C13 | H13A | 52.5° | 155.0° |
| C15 | C14 | C18 | H18 | 179.5° | 179.9° |
| C18 | C14 | C15 | C16 | 0.4° | 0.0° |
| C18 | C14 | C15 | C19 | 179.8° | 179.7° |
| C14 | C18 | N17 | C16 | 0.4° | 0.4° |
| C14 | C18 | N17 | H18 | 180.0° | 179.7° |
| C18 | C14 | C13 | H13B | 9.2° | 145.0° |
| C18 | C14 | C13 | H13A | 129.9° | 25.0° |
| C14 | C18 | N17 | H17 | 179.6° | 179.9° |
| C15 | C16 | N17 | N22 | 179.8° | 179.9° |
| C15 | C16 | N17 | C18 | 0.1° | 0.3° |
| C16 | C15 | C19 | C20 | 0.2° | 0.0° |
| C16 | C15 | C19 | C23 | 180.0° | 180.0° |
| C15 | C16 | N22 | C21 | 0.2° | 0.0° |
| C15 | C16 | N17 | H17 | 179.9° | 180.0° |
| C19 | C15 | C16 | N17 | 179.9° | 179.9° |
| C19 | C15 | C16 | N22 | 0.2° | 0.0° |
| C15 | C19 | C20 | C23 | 179.8° | 180.0° |
| C15 | C19 | C20 | C21 | 0.3° | 0.0° |
| C15 | C19 | C20 | H20 | 179.7° | 180.0° |
| C15 | C19 | C23 | H23B | 90.1° | 89.9° |
| C15 | C19 | C23 | H23A | 149.9° | 150.0° |
| C15 | C19 | C23 | H23C | 29.9° | 30.0° |
| C16 | N17 | C18 | H17 | 180.0° | 179.7° |
| N17 | C16 | N22 | C21 | 180.0° | 179.9° |
| C16 | N17 | C18 | H18 | 179.7° | 179.9° |
| N22 | C16 | N17 | C18 | 179.9° | 179.6° |
| C16 | N22 | C21 | C20 | 0.3° | 0.0° |
| C16 | N22 | C21 | H21 | 179.7° | 180.0° |
| N22 | C16 | N17 | H17 | 0.1° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | N22 | 0.3° | 0.0° |
| C19 | C20 | C21 | H21 | 179.7° | 180.0° |
| C20 | C19 | C23 | H23B | 90.1° | 90.1° |
| C20 | C19 | C23 | H23A | 29.9° | 30.0° |
| C20 | C19 | C23 | H23C | 149.9° | 150.0° |
| C23 | C19 | C20 | C21 | 179.9° | 180.0° |
| C23 | C19 | C20 | H20 | 0.1° | 0.1° |
| C19 | C23 | H23B | H23A | 120.0° | 120.1° |
| C19 | C23 | H23B | H23C | 120.0° | 120.0° |
| C19 | C23 | H23A | H23C | 120.0° | 120.0° |
| C20 | C21 | N22 | H21 | 180.0° | 180.0° |
| N22 | C21 | C20 | H20 | 179.7° | 180.0° |
| N24 | C25 | O26 | C27 | 179.5° | 180.0° |
| N24 | C25 | C27 | O28 | 159.6° | 180.0° |
| C25 | N24 | C5 | H5 | 41.0° | 35.1° |
| N24 | C25 | C27 | H27A | 79.8° | 60.0° |
| N24 | C25 | C27 | H27B | 39.0° | 60.0° |
| O26 | C25 | C27 | O28 | 19.9° | 0.1° |
| O26 | C25 | C27 | H27A | 100.7° | 120.0° |
| O26 | C25 | C27 | H27B | 140.5° | 120.0° |
| O26 | C25 | N24 | H24 | 179.3° | 179.9° |
| C25 | C27 | O28 | H27A | 120.6° | 120.0° |
| C25 | C27 | O28 | H27B | 120.6° | 120.0° |
| C25 | C27 | O28 | C29 | 178.4° | 180.0° |
| C25 | C27 | H27A | H27B | 118.2° | 120.0° |
| C27 | C25 | N24 | H24 | 0.2° | 0.0° |
| C27 | O28 | C29 | C30 | 149.0° | 180.0° |
| C27 | O28 | C29 | C34 | 31.4° | 0.3° |
| O28 | C27 | H27A | H27B | 118.1° | 120.0° |
| O28 | C29 | C30 | C34 | 179.6° | 179.7° |
| O28 | C29 | C30 | C31 | 179.8° | 179.7° |
| O28 | C29 | C34 | C33 | 179.7° | 179.7° |
| C29 | O28 | C27 | H27A | 61.0° | 60.0° |
| C29 | O28 | C27 | H27B | 57.8° | 60.0° |
| O28 | C29 | C30 | H30 | 0.2° | 0.3° |
| O28 | C29 | C34 | H34 | 0.3° | 0.3° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C30 | C29 | C34 | C33 | 0.1° | 0.0° |
| C29 | C30 | C31 | H31 | 179.9° | 180.0° |
| C30 | C29 | C34 | H34 | 179.9° | 180.0° |
| C34 | C29 | C30 | C31 | 0.1° | 0.0° |
| C29 | C34 | C33 | C32 | 0.1° | 0.1° |
| C29 | C34 | C33 | H34 | 180.0° | 179.9° |
| C34 | C29 | C30 | H30 | 179.9° | 180.0° |
| C29 | C34 | C33 | H33 | 179.9° | 180.0° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C30 | C31 | C32 | CL35 | 180.0° | 180.0° |
| C31 | C32 | C33 | CL35 | 179.9° | 180.0° |
| C31 | C32 | C33 | C34 | 0.1° | 0.1° |
| C32 | C31 | C30 | H30 | 179.9° | 180.0° |
| C31 | C32 | C33 | H33 | 179.9° | 180.0° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C33 | C32 | C31 | H31 | 179.9° | 180.0° |
| C32 | C33 | C34 | H34 | 179.9° | 180.0° |
| CL35 | C32 | C33 | C34 | 180.0° | 179.9° |
| CL35 | C32 | C31 | H31 | 0.0° | 0.0° |
| CL35 | C32 | C33 | H33 | 0.0° | 0.0° |
| H4B | C4 | C5 | H5 | 59.7° | 180.0° |
| H4B | C4 | C3 | H3B | 46.9° | 60.0° |
| H4B | C4 | C3 | H3A | 71.0° | 179.9° |
| H4A | C4 | C5 | H5 | 178.5° | 60.0° |
| H4A | C4 | C3 | H3B | 165.6° | 60.0° |
| H4A | C4 | C3 | H3A | 47.7° | 60.0° |
| H5 | C5 | C6 | H6B | 176.7° | 60.0° |
| H5 | C5 | C6 | H6A | 64.1° | NaN° |
| H5 | C5 | N24 | H24 | 138.9° | 145.0° |
| H6B | C6 | C1 | H1B | 56.6° | 60.0° |
| H6B | C6 | C1 | H1A | 175.2° | 60.0° |
| H6A | C6 | C1 | H1B | 62.6° | 179.9° |
| H6A | C6 | C1 | H1A | 55.9° | 60.0° |
| H10A | C10 | C11 | H1 | 59.4° | 180.0° |
| H10A | C10 | C11 | H11A | 179.4° | 60.0° |
| H10A | C10 | C11 | H11B | 60.6° | 60.1° |
| H10B | C10 | C11 | H1 | 59.4° | 59.9° |
| H10B | C10 | C11 | H11A | 60.7° | 180.0° |
| H10B | C10 | C11 | H11B | 179.4° | 60.0° |
| H13B | C13 | C12 | H12A | 168.1° | 60.0° |
| H13B | C13 | C12 | H12B | 74.2° | 180.0° |
| H13A | C13 | C12 | H12A | 47.4° | 180.0° |
| H13A | C13 | C12 | H12B | 165.2° | 60.0° |
| H20 | C20 | C21 | H21 | 0.3° | 0.0° |
| H1B | C1 | C2 | H2 | 47.2° | 180.0° |
| H1A | C1 | C2 | H2 | 165.8° | 60.0° |
| H1 | C11 | H11A | H11B | 120.0° | 120.0° |
| H18 | C18 | N17 | H17 | 0.3° | 0.2° |
| H2 | C2 | C3 | H3B | 160.8° | 60.0° |
| H2 | C2 | C3 | H3A | 43.0° | 180.0° |
| H23B | C23 | H23A | H23C | 120.0° | 120.0° |
| H30 | C30 | C31 | H31 | 0.1° | 0.1° |
| H33 | C33 | C34 | H34 | 0.1° | 0.0° |
