A1JIK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C6 | sing | 1.35Å | 1.34Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.52Å | |
| C8 | O11 | sing | 1.43Å | 1.44Å | |
| C7 | S12 | sing | 1.81Å | 1.79Å | |
| S12 | C13 | sing | 1.81Å | 1.83Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | N16 | sing | 1.47Å | 1.47Å | |
| N16 | N17 | sing | 1.29Å | 1.35Å | Aromatic |
| N17 | N18 | doub | 1.29Å | 1.31Å | Aromatic |
| N18 | C19 | sing | 1.35Å | 1.36Å | Aromatic |
| C19 | C20 | sing | 1.48Å | 1.47Å | |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | F23 | sing | 1.35Å | 1.35Å | |
| C20 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | F26 | sing | 1.35Å | 1.35Å | |
| C25 | C27 | sing | 1.39Å | 1.37Å | Aromatic |
| C27 | F28 | sing | 1.35Å | 1.34Å | |
| C19 | C29 | doub | 1.36Å | 1.37Å | Aromatic |
| C14 | O30 | sing | 1.43Å | 1.42Å | |
| C13 | O31 | sing | 1.43Å | 1.43Å | |
| O31 | C32 | sing | 1.43Å | 1.44Å | |
| C32 | C33 | sing | 1.53Å | 1.50Å | |
| C33 | O34 | sing | 1.43Å | 1.42Å | |
| C32 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | O36 | sing | 1.43Å | 1.43Å | |
| C6 | O37 | doub | 1.21Å | 1.22Å | |
| N5 | C3 | sing | 1.47Å | 1.47Å | |
| C35 | C15 | sing | 1.53Å | 1.53Å | |
| C29 | N16 | sing | 1.35Å | 1.35Å | Aromatic |
| C27 | C22 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C10 | H10C | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C9 | H9C | sing | 1.09Å | 1.10Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| O34 | H34 | sing | 0.97Å | 0.95Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| O36 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 117.5° | 114.2° |
| C1 | C2 | C4 | 117.1° | 114.2° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C1 | C2 | H2 | 110.9° | 113.2° |
| C3 | C2 | C4 | 88.9° | 83.4° |
| C2 | C3 | N5 | 87.6° | 88.0° |
| C3 | C2 | H2 | 110.3° | 114.2° |
| C2 | C3 | H3A | 114.6° | 113.4° |
| C2 | C3 | H3B | 114.6° | 113.5° |
| C2 | C4 | N5 | 87.7° | 88.0° |
| C2 | C4 | H4A | 114.6° | 113.5° |
| C2 | C4 | H4B | 114.6° | 113.5° |
| C4 | C2 | H2 | 110.4° | 114.4° |
| C4 | N5 | C6 | 130.6° | 136.1° |
| C4 | N5 | C3 | 95.7° | 87.9° |
| N5 | C4 | H4A | 114.6° | 113.5° |
| N5 | C4 | H4B | 114.6° | 113.4° |
| N5 | C6 | C7 | 116.8° | 120.0° |
| N5 | C6 | O37 | 121.4° | 120.0° |
| C6 | N5 | C3 | 133.5° | 136.1° |
| C6 | C7 | C8 | 112.1° | 109.5° |
| C6 | C7 | S12 | 110.6° | 109.5° |
| C7 | C6 | O37 | 120.7° | 120.0° |
| C6 | C7 | H7 | 107.8° | 109.5° |
| C7 | C8 | C9 | 111.3° | 109.4° |
| C7 | C8 | C10 | 112.9° | 109.5° |
| C7 | C8 | O11 | 105.8° | 109.5° |
| C8 | C7 | S12 | 113.5° | 109.5° |
| C8 | C7 | H7 | 107.4° | 109.5° |
| C9 | C8 | C10 | 110.9° | 109.5° |
| C9 | C8 | O11 | 108.4° | 109.5° |
| C8 | C9 | H9A | 109.5° | 109.5° |
| C8 | C9 | H9B | 109.5° | 109.5° |
| C8 | C9 | H9C | 109.4° | 109.5° |
| C10 | C8 | O11 | 107.2° | 109.4° |
| C8 | C10 | H10A | 109.5° | 109.4° |
| C8 | C10 | H10B | 109.5° | 109.4° |
| C8 | C10 | H10C | 109.5° | 109.5° |
| C8 | O11 | H11 | 109.5° | 114.0° |
| C7 | S12 | C13 | 100.5° | 103.0° |
| S12 | C7 | H7 | 105.0° | 109.5° |
| S12 | C13 | C14 | 108.7° | 109.5° |
| S12 | C13 | O31 | 107.8° | 109.4° |
| S12 | C13 | H13 | 107.1° | 109.5° |
| C13 | C14 | C15 | 108.2° | 109.2° |
| C13 | C14 | O30 | 110.1° | 109.5° |
| C14 | C13 | O31 | 110.7° | 109.4° |
| C14 | C13 | H13 | 110.5° | 109.5° |
| C13 | C14 | H14 | 109.1° | 109.5° |
| C14 | C15 | N16 | 113.3° | 109.5° |
| C15 | C14 | O30 | 109.7° | 109.5° |
| C14 | C15 | C35 | 111.7° | 109.0° |
| C14 | C15 | H15 | 107.2° | 109.6° |
| C15 | C14 | H14 | 109.1° | 109.5° |
| C15 | N16 | N17 | 120.0° | 125.7° |
| N16 | C15 | C35 | 109.5° | 109.5° |
| C15 | N16 | C29 | 129.2° | 125.7° |
| N16 | C15 | H15 | 107.8° | 109.6° |
| N16 | N17 | N18 | 107.0° | 110.4° |
| N17 | N16 | C29 | 110.7° | 108.6° |
| N17 | N18 | C19 | 109.1° | 108.8° |
| N18 | C19 | C20 | 121.7° | 126.9° |
| N18 | C19 | C29 | 108.0° | 106.2° |
| C19 | C20 | C21 | 119.7° | 120.1° |
| C19 | C20 | C24 | 120.5° | 120.1° |
| C20 | C19 | C29 | 130.2° | 126.9° |
| C20 | C21 | C22 | 119.1° | 119.9° |
| C21 | C20 | C24 | 119.7° | 119.8° |
| C20 | C21 | H21 | 120.4° | 120.0° |
| C21 | C22 | F23 | 119.9° | 120.0° |
| C21 | C22 | C27 | 121.8° | 120.1° |
| C22 | C21 | H21 | 120.5° | 120.1° |
| F23 | C22 | C27 | 118.3° | 119.9° |
| C20 | C24 | C25 | 119.0° | 120.0° |
| C20 | C24 | H24 | 120.5° | 120.0° |
| C24 | C25 | F26 | 119.9° | 120.0° |
| C24 | C25 | C27 | 121.8° | 120.1° |
| C25 | C24 | H24 | 120.5° | 120.0° |
| F26 | C25 | C27 | 118.4° | 119.9° |
| C25 | C27 | F28 | 120.8° | 120.0° |
| C25 | C27 | C22 | 118.7° | 120.1° |
| F28 | C27 | C22 | 120.5° | 119.9° |
| C19 | C29 | N16 | 105.1° | 106.0° |
| C19 | C29 | H29 | 127.5° | 127.0° |
| O30 | C14 | H14 | 110.6° | 109.6° |
| C14 | O30 | H30 | 109.5° | 114.0° |
| C13 | O31 | C32 | 112.0° | 114.1° |
| O31 | C13 | H13 | 112.0° | 109.5° |
| O31 | C32 | C33 | 106.4° | 109.5° |
| O31 | C32 | C35 | 108.8° | 109.4° |
| O31 | C32 | H32 | 110.5° | 109.4° |
| C32 | C33 | O34 | 110.9° | 109.5° |
| C33 | C32 | C35 | 112.1° | 109.5° |
| C33 | C32 | H32 | 109.7° | 109.5° |
| C32 | C33 | H33A | 109.1° | 109.5° |
| C32 | C33 | H33B | 109.1° | 109.4° |
| O34 | C33 | H33A | 109.1° | 109.5° |
| O34 | C33 | H33B | 109.1° | 109.5° |
| C33 | O34 | H34 | 109.5° | 114.0° |
| C32 | C35 | O36 | 110.7° | 109.5° |
| C32 | C35 | C15 | 108.7° | 109.1° |
| C35 | C32 | H32 | 109.4° | 109.5° |
| C32 | C35 | H35 | 109.0° | 109.5° |
| O36 | C35 | C15 | 109.1° | 109.5° |
| O36 | C35 | H35 | 110.4° | 109.6° |
| C35 | O36 | H36 | 109.5° | 114.0° |
| N5 | C3 | H3A | 114.7° | 113.5° |
| N5 | C3 | H3B | 114.6° | 113.5° |
| C35 | C15 | H15 | 107.1° | 109.6° |
| C15 | C35 | H35 | 109.0° | 109.6° |
| N16 | C29 | H29 | 127.4° | 127.0° |
| H4A | C4 | H4B | 109.5° | 112.7° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10C | 109.5° | 109.5° |
| H10B | C10 | H10C | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.4° |
| H1A | C1 | H1C | 109.4° | 109.4° |
| H1B | C1 | H1C | 109.5° | 109.5° |
| H3A | C3 | H3B | 109.5° | 112.7° |
| H9A | C9 | H9B | 109.4° | 109.4° |
| H9A | C9 | H9C | 109.4° | 109.5° |
| H9B | C9 | H9C | 109.5° | 109.4° |
| H33A | C33 | H33B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 120.2° | 113.6° |
| C1 | C2 | C3 | H2 | 128.4° | 132.6° |
| C1 | C2 | C4 | H2 | 128.1° | 132.7° |
| C1 | C2 | C4 | N5 | 123.5° | 139.7° |
| C1 | C2 | C3 | N5 | 123.2° | 139.7° |
| C1 | C2 | C4 | H4A | 120.4° | 105.5° |
| C1 | C2 | C4 | H4B | 7.4° | 24.9° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1C | 120.0° | 120.0° |
| C2 | C1 | H1B | H1C | 120.0° | 120.1° |
| C1 | C2 | C3 | H3A | 7.1° | 24.9° |
| C1 | C2 | C3 | H3B | 120.8° | 105.5° |
| C3 | C2 | C4 | H2 | 111.3° | 113.6° |
| C3 | C2 | C4 | N5 | 2.9° | 26.1° |
| C2 | C3 | N5 | C6 | 172.5° | 152.9° |
| C2 | C3 | N5 | H3A | 116.1° | 114.8° |
| C2 | C3 | N5 | H3B | 116.1° | 114.8° |
| C3 | C2 | C4 | H4A | 119.0° | 140.9° |
| C3 | C2 | C4 | H4B | 113.1° | 88.7° |
| C3 | C2 | C1 | H1A | 180.0° | 60.0° |
| C3 | C2 | C1 | H1B | 60.0° | 180.0° |
| C3 | C2 | C1 | H1C | 60.0° | 59.9° |
| C2 | C3 | H3A | H3B | 130.4° | 130.8° |
| C2 | C4 | N5 | H4A | 116.1° | 114.9° |
| C2 | C4 | N5 | H4B | 116.1° | 114.8° |
| C2 | C4 | N5 | C6 | 172.7° | 152.9° |
| C2 | C4 | H4A | H4B | 130.4° | 130.8° |
| C4 | C2 | C1 | H1A | 76.0° | 33.7° |
| C4 | C2 | C1 | H1B | 164.0° | 86.3° |
| C4 | C2 | C1 | H1C | 44.0° | 153.6° |
| C4 | C2 | C3 | H3A | 113.2° | 88.7° |
| C4 | C2 | C3 | H3B | 119.0° | 140.9° |
| C4 | N5 | C6 | C3 | 174.3° | 179.9° |
| C4 | N5 | C6 | C7 | 176.6° | 180.0° |
| C4 | N5 | C6 | O37 | 8.0° | 0.0° |
| N5 | C4 | H4A | H4B | 130.4° | 130.7° |
| N5 | C4 | C2 | H2 | 108.4° | 87.6° |
| C4 | N5 | C3 | H3A | 113.0° | 87.7° |
| C4 | N5 | C3 | H3B | 119.2° | 141.9° |
| N5 | C6 | C7 | O37 | 168.7° | 180.0° |
| N5 | C6 | C7 | C8 | 108.9° | 80.0° |
| N5 | C6 | C7 | S12 | 123.4° | 160.0° |
| C6 | N5 | C4 | H4A | 56.6° | 38.1° |
| C6 | N5 | C4 | H4B | 71.2° | 92.3° |
| N5 | C6 | C7 | H7 | 9.1° | 40.0° |
| C6 | N5 | C3 | H3A | 71.4° | 92.3° |
| C6 | N5 | C3 | H3B | 56.4° | 38.1° |
| C6 | C7 | C8 | S12 | 126.1° | 120.0° |
| C6 | C7 | C8 | H7 | 118.2° | 120.0° |
| C6 | C7 | C8 | C9 | 44.9° | 177.6° |
| C6 | C7 | C8 | C10 | 80.5° | 57.5° |
| C6 | C7 | C8 | O11 | 162.5° | 62.4° |
| C6 | C7 | S12 | H7 | 116.0° | 120.0° |
| C6 | C7 | S12 | C13 | 91.2° | 67.6° |
| C7 | C6 | N5 | C3 | 9.1° | 0.0° |
| C7 | C8 | C9 | C10 | 126.5° | 120.1° |
| C7 | C8 | C9 | O11 | 116.0° | 120.0° |
| C7 | C8 | C10 | O11 | 116.2° | 120.0° |
| C8 | C7 | S12 | H7 | 117.0° | 120.0° |
| C8 | C7 | S12 | C13 | 141.8° | 172.3° |
| C8 | C7 | C6 | O37 | 59.8° | 100.0° |
| C7 | C8 | C10 | H10A | 180.0° | 60.0° |
| C7 | C8 | C10 | H10B | 60.0° | 180.0° |
| C7 | C8 | C10 | H10C | 60.0° | 60.0° |
| C7 | C8 | C9 | H9A | 180.0° | 65.4° |
| C7 | C8 | C9 | H9B | 60.0° | 174.6° |
| C7 | C8 | C9 | H9C | 60.0° | 54.7° |
| C7 | C8 | O11 | H11 | 180.0° | 179.9° |
| C9 | C8 | C10 | O11 | 118.2° | 120.0° |
| C9 | C8 | C7 | S12 | 171.1° | 62.4° |
| C9 | C8 | C7 | H7 | 73.3° | 57.6° |
| C9 | C8 | C10 | H10A | 54.4° | 60.0° |
| C9 | C8 | C10 | H10B | 174.4° | 60.0° |
| C9 | C8 | C10 | H10C | 65.7° | 180.0° |
| C8 | C9 | H9A | H9B | 120.0° | 120.0° |
| C8 | C9 | H9A | H9C | 120.0° | 120.1° |
| C8 | C9 | H9B | H9C | 120.0° | 120.0° |
| C9 | C8 | O11 | H11 | 60.5° | 60.0° |
| C10 | C8 | C7 | S12 | 45.6° | 177.6° |
| C10 | C8 | C7 | H7 | 161.2° | 62.4° |
| C8 | C10 | H10A | H10B | 120.0° | 120.0° |
| C8 | C10 | H10A | H10C | 120.0° | 120.0° |
| C8 | C10 | H10B | H10C | 120.0° | 120.0° |
| C10 | C8 | C9 | H9A | 53.5° | 174.6° |
| C10 | C8 | C9 | H9B | 66.5° | 54.6° |
| C10 | C8 | C9 | H9C | 173.5° | 65.3° |
| C10 | C8 | O11 | H11 | 59.3° | 60.1° |
| O11 | C8 | C7 | S12 | 71.4° | 57.6° |
| O11 | C8 | C7 | H7 | 44.3° | 177.6° |
| O11 | C8 | C10 | H10A | 63.8° | 180.0° |
| O11 | C8 | C10 | H10B | 56.2° | 60.0° |
| O11 | C8 | C10 | H10C | 176.1° | 60.0° |
| O11 | C8 | C9 | H9A | 64.0° | 54.6° |
| O11 | C8 | C9 | H9B | 176.0° | 65.4° |
| O11 | C8 | C9 | H9C | 56.0° | 174.7° |
| C7 | S12 | C13 | C14 | 170.6° | 169.4° |
| C7 | S12 | C13 | O31 | 50.6° | 70.6° |
| S12 | C7 | C6 | O37 | 67.9° | 20.0° |
| C7 | S12 | C13 | H13 | 70.1° | 49.4° |
| S12 | C13 | C14 | O31 | 118.2° | 120.0° |
| S12 | C13 | C14 | H13 | 117.2° | 120.1° |
| S12 | C13 | C14 | C15 | 174.3° | 177.6° |
| S12 | C13 | C14 | O30 | 65.8° | 62.5° |
| S12 | C13 | O31 | H13 | 117.5° | 120.0° |
| S12 | C13 | O31 | C32 | 177.7° | 178.9° |
| C13 | S12 | C7 | H7 | 24.8° | 52.3° |
| S12 | C13 | C14 | H14 | 55.7° | 57.7° |
| C13 | C14 | C15 | O30 | 120.1° | 119.9° |
| C13 | C14 | C15 | H14 | 118.6° | 119.9° |
| C13 | C14 | C15 | N16 | 177.5° | 176.9° |
| C13 | C14 | O30 | H14 | 120.6° | 120.1° |
| C14 | C13 | O31 | H13 | 123.7° | 120.0° |
| C14 | C13 | O31 | C32 | 63.6° | 61.1° |
| C13 | C14 | C15 | C35 | 53.3° | 57.0° |
| C13 | C14 | C15 | H15 | 63.6° | 63.0° |
| C13 | C14 | O30 | H30 | 180.0° | 60.0° |
| C14 | C15 | N16 | C35 | 125.4° | 119.5° |
| C14 | C15 | N16 | H15 | 118.4° | 120.2° |
| C14 | C15 | N16 | N17 | 118.2° | 145.2° |
| C15 | C14 | O30 | H14 | 120.4° | 120.2° |
| C15 | C14 | C13 | O31 | 56.1° | 57.6° |
| C14 | C15 | C35 | C32 | 55.4° | 57.0° |
| C14 | C15 | C35 | O36 | 65.4° | 62.9° |
| C14 | C15 | C35 | H15 | 117.0° | 119.9° |
| C14 | C15 | N16 | C29 | 64.1° | 34.6° |
| C15 | C14 | C13 | H13 | 68.5° | 62.4° |
| C15 | C14 | O30 | H30 | 61.0° | 179.7° |
| C14 | C15 | C35 | H35 | 174.1° | 176.9° |
| C15 | N16 | N17 | C29 | 178.0° | 179.8° |
| C15 | N16 | N17 | N18 | 178.7° | 180.0° |
| C15 | N16 | C29 | C19 | 178.8° | 179.9° |
| N16 | C15 | C14 | O30 | 62.4° | 63.2° |
| N16 | C15 | C35 | C32 | 178.3° | 176.8° |
| N16 | C15 | C35 | O36 | 61.0° | 57.0° |
| N16 | C15 | C35 | H15 | 116.7° | 120.2° |
| N16 | C15 | C14 | H14 | 59.0° | 57.0° |
| C15 | N16 | C29 | H29 | 1.2° | 0.2° |
| N16 | C15 | C35 | H35 | 59.6° | 63.2° |
| N16 | N17 | N18 | C19 | 0.1° | 0.0° |
| N17 | N16 | C29 | C19 | 1.0° | 0.4° |
| N17 | N16 | C15 | C35 | 116.4° | 95.3° |
| N17 | N16 | C15 | H15 | 0.2° | 25.0° |
| N17 | N16 | C29 | H29 | 179.0° | 180.0° |
| N17 | N18 | C19 | C20 | 179.0° | 179.9° |
| N17 | N18 | C19 | C29 | 0.5° | 0.2° |
| N18 | N17 | N16 | C29 | 0.7° | 0.2° |
| N18 | C19 | C20 | C29 | 178.1° | 179.8° |
| N18 | C19 | C20 | C21 | 161.1° | 0.1° |
| N18 | C19 | C20 | C24 | 14.9° | 179.8° |
| N18 | C19 | C29 | N16 | 0.9° | 0.3° |
| N18 | C19 | C29 | H29 | 179.1° | 180.0° |
| C19 | C20 | C21 | C24 | 176.0° | 179.7° |
| C19 | C20 | C21 | C22 | 177.8° | 179.7° |
| C19 | C20 | C24 | C25 | 177.7° | 179.7° |
| C20 | C19 | C29 | N16 | 179.3° | 179.8° |
| C19 | C20 | C21 | H21 | 2.1° | 0.4° |
| C19 | C20 | C24 | H24 | 2.3° | 0.2° |
| C20 | C19 | C29 | H29 | 0.8° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | F23 | 179.5° | 180.0° |
| C21 | C20 | C24 | C25 | 1.7° | 0.0° |
| C21 | C20 | C19 | C29 | 17.0° | 179.7° |
| C20 | C21 | C22 | C27 | 1.1° | 0.1° |
| C21 | C20 | C24 | H24 | 178.3° | 179.9° |
| C21 | C22 | F23 | C27 | 179.4° | 179.9° |
| C22 | C21 | C20 | C24 | 1.8° | 0.1° |
| C21 | C22 | C27 | C25 | 0.3° | 0.0° |
| C21 | C22 | C27 | F28 | 179.5° | 180.0° |
| F23 | C22 | C27 | C25 | 179.6° | 180.0° |
| F23 | C22 | C27 | F28 | 1.1° | 0.1° |
| F23 | C22 | C21 | H21 | 0.5° | 0.1° |
| C20 | C24 | C25 | H24 | 180.0° | 179.9° |
| C20 | C24 | C25 | F26 | 179.3° | 179.9° |
| C20 | C24 | C25 | C27 | 0.9° | 0.1° |
| C24 | C20 | C19 | C29 | 167.0° | 0.0° |
| C24 | C20 | C21 | H21 | 178.1° | 179.9° |
| C24 | C25 | F26 | C27 | 179.9° | 179.9° |
| C24 | C25 | C27 | F28 | 179.4° | 179.9° |
| C24 | C25 | C27 | C22 | 0.1° | 0.0° |
| F26 | C25 | C27 | F28 | 0.8° | 0.0° |
| F26 | C25 | C27 | C22 | 180.0° | 179.9° |
| F26 | C25 | C24 | H24 | 0.7° | 0.2° |
| C25 | C27 | F28 | C22 | 179.2° | 180.0° |
| C27 | C25 | C24 | H24 | 179.1° | 180.0° |
| C19 | C29 | N16 | H29 | 180.0° | 179.7° |
| O30 | C14 | C13 | O31 | 176.0° | 177.6° |
| O30 | C14 | C15 | C35 | 173.4° | 176.9° |
| O30 | C14 | C13 | H13 | 51.4° | 57.6° |
| O30 | C14 | C15 | H15 | 56.4° | 57.0° |
| C13 | O31 | C32 | C33 | 174.7° | 178.9° |
| C13 | O31 | C32 | C35 | 64.4° | 61.1° |
| O31 | C13 | C14 | H14 | 62.5° | 62.3° |
| C13 | O31 | C32 | H32 | 55.7° | 58.9° |
| O31 | C32 | C33 | C35 | 118.8° | 120.0° |
| O31 | C32 | C33 | H32 | 119.6° | 120.0° |
| O31 | C32 | C33 | O34 | 63.2° | 65.3° |
| O31 | C32 | C35 | H32 | 120.8° | 120.0° |
| O31 | C32 | C35 | O36 | 61.1° | 62.3° |
| O31 | C32 | C35 | C15 | 58.7° | 57.6° |
| C32 | O31 | C13 | H13 | 60.2° | 58.9° |
| O31 | C32 | C33 | H33A | 176.6° | 174.7° |
| O31 | C32 | C33 | H33B | 57.0° | 54.7° |
| O31 | C32 | C35 | H35 | 177.4° | 177.6° |
| C32 | C33 | O34 | H33A | 120.2° | 120.0° |
| C32 | C33 | O34 | H33B | 120.2° | 120.0° |
| C33 | C32 | C35 | H32 | 121.9° | 120.0° |
| C33 | C32 | C35 | O36 | 56.3° | 57.7° |
| C33 | C32 | C35 | C15 | 176.0° | 177.6° |
| C32 | C33 | H33A | H33B | 119.3° | 119.9° |
| C32 | C33 | O34 | H34 | 180.0° | 180.0° |
| C33 | C32 | C35 | H35 | 65.3° | 62.4° |
| O34 | C33 | C32 | C35 | 178.0° | 174.7° |
| O34 | C33 | C32 | H32 | 56.4° | 54.7° |
| O34 | C33 | H33A | H33B | 119.4° | 120.0° |
| C32 | C35 | O36 | C15 | 119.5° | 119.7° |
| C32 | C35 | O36 | H35 | 120.8° | 120.1° |
| C32 | C35 | C15 | H35 | 118.7° | 119.9° |
| C32 | C35 | C15 | H15 | 61.6° | 62.9° |
| C35 | C32 | C33 | H33A | 57.8° | 54.7° |
| C35 | C32 | C33 | H33B | 61.7° | 65.2° |
| C32 | C35 | O36 | H36 | 180.0° | 60.0° |
| O36 | C35 | C15 | H35 | 120.6° | 120.2° |
| O36 | C35 | C15 | H15 | 177.6° | 177.2° |
| O36 | C35 | C32 | H32 | 178.2° | 177.8° |
| O37 | C6 | N5 | C3 | 177.8° | 179.9° |
| O37 | C6 | C7 | H7 | 177.8° | 140.0° |
| C3 | N5 | C4 | H4A | 119.2° | 142.0° |
| C3 | N5 | C4 | H4B | 113.0° | 87.7° |
| N5 | C3 | C2 | H2 | 108.4° | 87.7° |
| N5 | C3 | H3A | H3B | 130.4° | 130.8° |
| C35 | C15 | N16 | C29 | 61.2° | 85.0° |
| C35 | C15 | C14 | H14 | 65.2° | 62.9° |
| C15 | C35 | C32 | H32 | 62.1° | 62.3° |
| C15 | C35 | O36 | H36 | 60.5° | 179.7° |
| C29 | N16 | C15 | H15 | 177.4° | 154.8° |
| C27 | C22 | C21 | H21 | 178.9° | 179.9° |
| H4A | C4 | C2 | H2 | 7.7° | 27.2° |
| H4B | C4 | C2 | H2 | 135.5° | 157.7° |
| H10A | C10 | H10B | H10C | 120.0° | 120.1° |
| H13 | C13 | C14 | H14 | 172.9° | 177.7° |
| H15 | C15 | C14 | H14 | 177.8° | 177.2° |
| H15 | C15 | C35 | H35 | 57.1° | 57.0° |
| H1A | C1 | H1B | H1C | 119.9° | 119.9° |
| H1A | C1 | C2 | H2 | 51.8° | 166.9° |
| H1B | C1 | C2 | H2 | 68.2° | 47.0° |
| H1C | C1 | C2 | H2 | 171.8° | 73.2° |
| H2 | C2 | C3 | H3A | 135.5° | 157.5° |
| H2 | C2 | C3 | H3B | 7.7° | 27.1° |
| H9A | C9 | H9B | H9C | 120.0° | 120.0° |
| H14 | C14 | O30 | H30 | 59.4° | 60.2° |
| H32 | C32 | C33 | H33A | 63.9° | 65.3° |
| H32 | C32 | C33 | H33B | 176.6° | 174.7° |
| H32 | C32 | C35 | H35 | 56.6° | 57.6° |
| H33A | C33 | O34 | H34 | 59.8° | 60.0° |
| H33B | C33 | O34 | H34 | 59.8° | 60.0° |
| H35 | C35 | O36 | H36 | 59.2° | 60.1° |
