A1H5J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| O9 | S1 | doub | 1.42Å | 1.44Å | |
| O10 | S1 | doub | 1.42Å | 1.44Å | |
| S1 | C6 | sing | 1.81Å | 1.77Å | |
| S1 | N1 | sing | 1.66Å | 1.68Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.36Å | 1.37Å | Aromatic |
| N1 | C5 | sing | 1.37Å | 1.39Å | Aromatic |
| N1 | C30 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | C32 | sing | 1.41Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.34Å | 1.34Å | Aromatic |
| C32 | C31 | sing | 1.47Å | 1.42Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.47Å | |
| O1 | C1 | doub | 1.22Å | 1.24Å | |
| O12 | S2 | doub | 1.42Å | 1.44Å | |
| O11 | S2 | doub | 1.42Å | 1.44Å | |
| C1 | N8 | sing | 1.35Å | 1.32Å | |
| S2 | N9 | sing | 1.66Å | 1.69Å | |
| S2 | C40 | sing | 1.81Å | 1.75Å | |
| C42 | C40 | sing | 1.53Å | 1.50Å | |
| C42 | C41 | sing | 1.53Å | 1.49Å | |
| C43 | C44 | doub | 1.38Å | 1.38Å | Aromatic |
| C43 | C39 | sing | 1.39Å | 1.38Å | Aromatic |
| N8 | C34 | sing | 1.47Å | 1.46Å | |
| N9 | C39 | sing | 1.40Å | 1.43Å | |
| C40 | C41 | sing | 1.53Å | 1.49Å | |
| C44 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| F1 | C37 | sing | 1.40Å | 1.31Å | |
| C35 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | C34 | sing | 1.51Å | 1.52Å | |
| C38 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.51Å | 1.48Å | |
| C37 | F2 | sing | 1.40Å | 1.30Å | |
| C37 | F3 | sing | 1.40Å | 1.33Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C30 | H8 | sing | 1.08Å | 1.08Å | |
| C31 | H9 | sing | 1.08Å | 1.08Å | |
| C33 | H10 | sing | 1.08Å | 1.08Å | |
| N8 | H11 | sing | 0.97Å | 1.00Å | |
| C34 | H12 | sing | 1.09Å | 1.10Å | |
| C34 | H13 | sing | 1.09Å | 1.10Å | |
| C38 | H14 | sing | 1.08Å | 1.08Å | |
| N9 | H15 | sing | 0.97Å | 1.00Å | |
| C40 | H16 | sing | 1.09Å | 1.10Å | |
| C41 | H17 | sing | 1.09Å | 1.10Å | |
| C41 | H18 | sing | 1.09Å | 1.10Å | |
| C42 | H19 | sing | 1.09Å | 1.10Å | |
| C42 | H20 | sing | 1.09Å | 1.10Å | |
| C43 | H21 | sing | 1.08Å | 1.08Å | |
| C44 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | S1 | 114.5° | 109.5° |
| C7 | C6 | H2 | 108.2° | 109.5° |
| C7 | C6 | H3 | 108.2° | 109.5° |
| C6 | C7 | H4 | 109.5° | 109.5° |
| C6 | C7 | H5 | 109.5° | 109.5° |
| C6 | C7 | H6 | 109.5° | 109.4° |
| O9 | S1 | O10 | 120.2° | 121.1° |
| O9 | S1 | C6 | 106.6° | 110.5° |
| O9 | S1 | N1 | 105.6° | 104.3° |
| O10 | S1 | C6 | 115.7° | 110.5° |
| O10 | S1 | N1 | 103.2° | 104.3° |
| C6 | S1 | N1 | 103.8° | 104.5° |
| S1 | C6 | H2 | 108.2° | 109.5° |
| S1 | C6 | H3 | 108.2° | 109.4° |
| S1 | N1 | C5 | 125.9° | 125.0° |
| S1 | N1 | C30 | 125.9° | 125.0° |
| C5 | C4 | C3 | 116.6° | 120.2° |
| C4 | C5 | N1 | 130.8° | 133.3° |
| C4 | C5 | C32 | 121.8° | 119.6° |
| C5 | C4 | H1 | 121.7° | 119.8° |
| C4 | C3 | C2 | 122.4° | 120.7° |
| C3 | C4 | H1 | 121.7° | 119.9° |
| C4 | C3 | H7 | 118.8° | 119.7° |
| C5 | N1 | C30 | 108.2° | 110.0° |
| N1 | C5 | C32 | 107.3° | 107.1° |
| N1 | C30 | C31 | 110.0° | 109.9° |
| N1 | C30 | H8 | 125.0° | 125.1° |
| C5 | C32 | C31 | 106.6° | 106.0° |
| C5 | C32 | C33 | 120.5° | 120.0° |
| C3 | C2 | C33 | 120.3° | 120.1° |
| C3 | C2 | C1 | 116.3° | 120.0° |
| C2 | C3 | H7 | 118.8° | 119.6° |
| C30 | C31 | C32 | 107.8° | 106.9° |
| C31 | C30 | H8 | 125.0° | 125.0° |
| C30 | C31 | H9 | 126.1° | 126.5° |
| C31 | C32 | C33 | 132.9° | 134.0° |
| C32 | C31 | H9 | 126.1° | 126.5° |
| C32 | C33 | C2 | 118.4° | 119.4° |
| C32 | C33 | H10 | 120.8° | 120.3° |
| C33 | C2 | C1 | 123.3° | 119.9° |
| C2 | C33 | H10 | 120.8° | 120.3° |
| C2 | C1 | O1 | 120.1° | 120.0° |
| C2 | C1 | N8 | 117.8° | 120.0° |
| O1 | C1 | N8 | 121.7° | 120.0° |
| O12 | S2 | O11 | 119.6° | 121.0° |
| O12 | S2 | N9 | 102.7° | 104.3° |
| O12 | S2 | C40 | 106.5° | 110.5° |
| O11 | S2 | N9 | 110.6° | 104.3° |
| O11 | S2 | C40 | 105.5° | 110.5° |
| C1 | N8 | C34 | 119.0° | 120.0° |
| C1 | N8 | H11 | 120.5° | 120.0° |
| N9 | S2 | C40 | 112.1° | 104.5° |
| S2 | N9 | C39 | 135.5° | 120.0° |
| S2 | N9 | H15 | 102.6° | 120.0° |
| S2 | C40 | C42 | 121.8° | 117.5° |
| S2 | C40 | C41 | 112.1° | 117.5° |
| S2 | C40 | H16 | 114.2° | 115.6° |
| C40 | C42 | C41 | 59.9° | 60.0° |
| C42 | C40 | C41 | 59.8° | 60.0° |
| C42 | C40 | H16 | 118.7° | 117.5° |
| C40 | C42 | H19 | 120.0° | 117.5° |
| C40 | C42 | H20 | 120.0° | 117.4° |
| C42 | C41 | C40 | 60.3° | 60.0° |
| C42 | C41 | H17 | 119.9° | 117.5° |
| C42 | C41 | H18 | 119.9° | 117.5° |
| C41 | C42 | H19 | 120.0° | 117.5° |
| C41 | C42 | H20 | 120.0° | 117.5° |
| C44 | C43 | C39 | 120.3° | 119.9° |
| C43 | C44 | C35 | 121.1° | 120.1° |
| C44 | C43 | H21 | 119.9° | 120.1° |
| C43 | C44 | H22 | 119.5° | 119.9° |
| C43 | C39 | N9 | 123.0° | 120.1° |
| C43 | C39 | C38 | 119.7° | 119.8° |
| C39 | C43 | H21 | 119.9° | 120.0° |
| N8 | C34 | C35 | 111.7° | 109.4° |
| C34 | N8 | H11 | 120.5° | 120.0° |
| N8 | C34 | H12 | 108.9° | 109.4° |
| N8 | C34 | H13 | 108.9° | 109.5° |
| N9 | C39 | C38 | 117.3° | 120.1° |
| C39 | N9 | H15 | 102.6° | 120.0° |
| C41 | C40 | H16 | 118.8° | 117.5° |
| C40 | C41 | H17 | 119.9° | 117.4° |
| C40 | C41 | H18 | 119.9° | 117.5° |
| C44 | C35 | C36 | 118.7° | 120.1° |
| C44 | C35 | C34 | 119.6° | 119.9° |
| C35 | C44 | H22 | 119.5° | 120.0° |
| C39 | C38 | C36 | 120.8° | 120.0° |
| C39 | C38 | H14 | 119.6° | 120.0° |
| F1 | C37 | C36 | 114.2° | 109.5° |
| F1 | C37 | F2 | 100.1° | 109.4° |
| F1 | C37 | F3 | 110.1° | 109.4° |
| C36 | C35 | C34 | 121.8° | 120.0° |
| C35 | C36 | C38 | 119.3° | 120.1° |
| C35 | C36 | C37 | 120.6° | 119.9° |
| C35 | C34 | H12 | 108.9° | 109.5° |
| C35 | C34 | H13 | 108.9° | 109.5° |
| C38 | C36 | C37 | 119.8° | 120.0° |
| C36 | C38 | H14 | 119.6° | 120.0° |
| C36 | C37 | F2 | 114.1° | 109.5° |
| C36 | C37 | F3 | 111.4° | 109.5° |
| F2 | C37 | F3 | 106.3° | 109.5° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.4° | 109.5° |
| H4 | C7 | H6 | 109.5° | 109.4° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H12 | C34 | H13 | 109.5° | 109.5° |
| H17 | C41 | H18 | 109.5° | 115.6° |
| H19 | C42 | H20 | 109.4° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | S1 | O9 | 35.6° | 68.4° |
| C7 | C6 | S1 | O10 | 100.9° | 68.4° |
| C7 | C6 | S1 | H2 | 120.7° | 120.0° |
| C7 | C6 | S1 | H3 | 120.7° | 120.0° |
| C7 | C6 | S1 | N1 | 146.8° | 180.0° |
| C7 | C6 | H2 | H3 | 117.7° | 120.1° |
| C6 | C7 | H4 | H5 | 120.0° | 120.1° |
| C6 | C7 | H4 | H6 | 120.0° | 119.9° |
| C6 | C7 | H5 | H6 | 120.0° | 119.9° |
| O9 | S1 | O10 | C6 | 130.2° | 131.5° |
| O9 | S1 | O10 | N1 | 117.2° | 116.8° |
| O9 | S1 | C6 | N1 | 111.2° | 111.6° |
| O9 | S1 | N1 | C5 | 40.7° | 51.0° |
| O9 | S1 | N1 | C30 | 143.1° | 128.6° |
| O9 | S1 | C6 | H2 | 85.1° | 51.6° |
| O9 | S1 | C6 | H3 | 156.3° | 171.6° |
| O10 | S1 | C6 | N1 | 112.3° | 111.6° |
| O10 | S1 | N1 | C5 | 86.3° | 178.9° |
| O10 | S1 | N1 | C30 | 89.9° | 0.7° |
| O10 | S1 | C6 | H2 | 138.4° | 171.6° |
| O10 | S1 | C6 | H3 | 19.8° | 51.6° |
| C6 | S1 | N1 | C5 | 152.6° | 65.0° |
| C6 | S1 | N1 | C30 | 31.2° | 115.4° |
| S1 | C6 | H2 | H3 | 117.7° | 119.9° |
| S1 | C6 | C7 | H4 | 180.0° | 60.1° |
| S1 | C6 | C7 | H5 | 60.0° | 60.0° |
| S1 | C6 | C7 | H6 | 60.0° | 180.0° |
| S1 | N1 | C5 | C4 | 3.7° | 0.3° |
| S1 | N1 | C5 | C30 | 176.8° | 179.7° |
| S1 | N1 | C5 | C32 | 178.7° | 179.7° |
| S1 | N1 | C30 | C31 | 179.4° | 179.7° |
| N1 | S1 | C6 | H2 | 26.1° | 60.0° |
| N1 | S1 | C6 | H3 | 92.5° | 60.0° |
| S1 | N1 | C30 | H8 | 0.6° | 0.3° |
| C5 | C4 | C3 | H1 | 180.0° | 180.0° |
| C4 | C5 | N1 | C32 | 177.6° | 179.9° |
| C4 | C5 | N1 | C30 | 179.5° | 180.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C32 | C31 | 178.4° | 180.0° |
| C4 | C5 | C32 | C33 | 0.5° | 0.1° |
| C5 | C4 | C3 | H7 | 179.9° | 180.0° |
| C3 | C4 | C5 | N1 | 177.9° | 179.9° |
| C3 | C4 | C5 | C32 | 0.6° | 0.0° |
| C4 | C3 | C2 | H7 | 180.0° | 180.0° |
| C4 | C3 | C2 | C33 | 1.9° | 0.0° |
| C4 | C3 | C2 | C1 | 178.7° | 180.0° |
| C5 | N1 | C30 | C31 | 2.6° | 0.1° |
| N1 | C5 | C32 | C31 | 0.6° | 0.0° |
| N1 | C5 | C32 | C33 | 177.3° | 180.0° |
| N1 | C5 | C4 | H1 | 2.1° | 0.1° |
| C5 | N1 | C30 | H8 | 177.4° | 180.0° |
| C30 | N1 | C5 | C32 | 1.9° | 0.1° |
| N1 | C30 | C31 | H8 | 180.0° | 179.9° |
| N1 | C30 | C31 | C32 | 2.2° | 0.1° |
| N1 | C30 | C31 | H9 | 177.8° | 180.0° |
| C5 | C32 | C31 | C30 | 1.0° | 0.0° |
| C5 | C32 | C31 | C33 | 177.5° | 180.0° |
| C5 | C32 | C33 | C2 | 2.3° | 0.1° |
| C32 | C5 | C4 | H1 | 179.4° | 180.0° |
| C5 | C32 | C31 | H9 | 179.0° | 180.0° |
| C5 | C32 | C33 | H10 | 177.7° | 180.0° |
| C3 | C2 | C33 | C32 | 2.9° | 0.0° |
| C3 | C2 | C33 | C1 | 176.6° | 180.0° |
| C3 | C2 | C1 | O1 | 25.1° | 180.0° |
| C3 | C2 | C1 | N8 | 148.4° | 0.0° |
| C2 | C3 | C4 | H1 | 179.9° | 179.9° |
| C3 | C2 | C33 | H10 | 177.0° | 180.0° |
| C30 | C31 | C32 | H9 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 178.5° | 179.9° |
| C31 | C32 | C33 | C2 | 179.6° | 180.0° |
| C32 | C31 | C30 | H8 | 177.8° | 180.0° |
| C31 | C32 | C33 | H10 | 0.4° | 0.0° |
| C32 | C33 | C2 | H10 | 180.0° | 180.0° |
| C32 | C33 | C2 | C1 | 179.6° | 180.0° |
| C33 | C32 | C31 | H9 | 1.5° | 0.0° |
| C33 | C2 | C1 | O1 | 158.2° | 0.0° |
| C33 | C2 | C1 | N8 | 28.4° | 180.0° |
| C33 | C2 | C3 | H7 | 178.1° | 180.0° |
| C2 | C1 | O1 | N8 | 173.2° | 180.0° |
| C2 | C1 | N8 | C34 | 177.2° | 180.0° |
| C1 | C2 | C3 | H7 | 1.3° | 0.0° |
| C1 | C2 | C33 | H10 | 0.4° | 0.0° |
| C2 | C1 | N8 | H11 | 2.8° | 0.0° |
| O1 | C1 | N8 | C34 | 9.4° | 0.0° |
| O1 | C1 | N8 | H11 | 170.6° | 180.0° |
| O12 | S2 | O11 | N9 | 118.8° | 116.8° |
| O12 | S2 | O11 | C40 | 119.8° | 131.5° |
| O12 | S2 | N9 | C40 | 114.0° | 116.1° |
| O12 | S2 | C40 | C42 | 73.6° | 137.7° |
| O12 | S2 | N9 | C39 | 119.6° | 177.2° |
| O12 | S2 | C40 | C41 | 140.8° | 69.1° |
| O12 | S2 | N9 | H15 | 3.7° | 2.8° |
| O12 | S2 | C40 | H16 | 80.3° | 76.6° |
| O11 | S2 | N9 | C40 | 117.4° | 116.1° |
| O11 | S2 | C40 | C42 | 54.5° | 0.9° |
| O11 | S2 | N9 | C39 | 9.1° | 55.0° |
| O11 | S2 | C40 | C41 | 12.7° | 67.7° |
| O11 | S2 | N9 | H15 | 132.3° | 125.1° |
| O11 | S2 | C40 | H16 | 151.6° | 146.6° |
| C1 | N8 | C34 | H11 | 180.0° | 180.0° |
| C1 | N8 | C34 | C35 | 88.1° | 180.0° |
| C1 | N8 | C34 | H12 | 151.6° | 60.0° |
| C1 | N8 | C34 | H13 | 32.2° | 60.0° |
| N9 | S2 | C40 | C42 | 174.8° | 110.7° |
| S2 | N9 | C39 | C43 | 27.4° | 46.4° |
| S2 | N9 | C39 | H15 | 123.2° | 179.9° |
| N9 | S2 | C40 | C41 | 107.6° | 179.3° |
| S2 | N9 | C39 | C38 | 151.9° | 133.7° |
| N9 | S2 | C40 | H16 | 31.2° | 35.0° |
| S2 | C40 | C42 | C41 | 98.7° | 107.5° |
| S2 | C40 | C42 | H16 | 152.8° | 145.1° |
| C40 | S2 | N9 | C39 | 126.5° | 61.1° |
| S2 | C40 | C41 | H16 | 136.8° | 145.0° |
| C40 | S2 | N9 | H15 | 110.3° | 118.9° |
| S2 | C40 | C41 | H17 | 135.5° | 0.0° |
| S2 | C40 | C41 | H18 | 5.4° | 144.9° |
| S2 | C40 | C42 | H19 | 151.9° | 145.0° |
| S2 | C40 | C42 | H20 | 10.8° | 0.0° |
| C40 | C42 | C41 | H19 | 109.5° | 107.5° |
| C40 | C42 | C41 | H20 | 109.5° | 107.4° |
| C42 | C40 | C41 | H16 | 108.3° | 107.5° |
| C40 | C42 | C41 | H17 | 109.5° | 107.4° |
| C40 | C42 | C41 | H18 | 109.6° | 107.5° |
| C40 | C42 | H19 | H20 | 144.8° | 145.6° |
| C42 | C41 | H17 | H18 | 144.6° | 145.8° |
| C41 | C42 | H19 | H20 | 144.8° | 145.7° |
| C44 | C43 | C39 | H21 | 180.0° | 179.3° |
| C44 | C43 | C39 | N9 | 179.2° | 179.7° |
| C43 | C44 | C35 | H22 | 180.0° | 179.5° |
| C44 | C43 | C39 | C38 | 1.6° | 0.3° |
| C43 | C44 | C35 | C36 | 3.3° | 0.6° |
| C43 | C44 | C35 | C34 | 177.7° | 179.7° |
| C43 | C39 | N9 | C38 | 179.2° | 179.9° |
| C39 | C43 | C44 | C35 | 0.1° | 0.6° |
| C43 | C39 | C38 | C36 | 0.4° | 0.1° |
| C43 | C39 | C38 | H14 | 179.6° | 179.9° |
| C43 | C39 | N9 | H15 | 150.6° | 133.7° |
| C39 | C43 | C44 | H22 | 179.9° | 179.9° |
| N8 | C34 | C35 | C44 | 22.9° | 100.3° |
| N8 | C34 | C35 | C36 | 155.9° | 80.0° |
| N8 | C34 | C35 | H12 | 120.3° | 119.9° |
| N8 | C34 | C35 | H13 | 120.3° | 120.0° |
| N8 | C34 | H12 | H13 | 119.0° | 120.0° |
| N9 | C39 | C38 | C36 | 178.9° | 180.0° |
| N9 | C39 | C38 | H14 | 1.1° | 0.0° |
| N9 | C39 | C43 | H21 | 0.8° | 0.4° |
| C40 | C41 | H17 | H18 | 144.6° | 145.6° |
| C44 | C35 | C36 | C34 | 178.9° | 179.7° |
| C44 | C35 | C36 | C38 | 5.2° | 0.3° |
| C44 | C35 | C36 | C37 | 179.7° | 179.7° |
| C44 | C35 | C34 | H12 | 97.4° | 139.8° |
| C44 | C35 | C34 | H13 | 143.3° | 19.7° |
| C35 | C44 | C43 | H21 | 179.9° | 179.9° |
| C39 | C38 | C36 | C35 | 3.8° | 0.1° |
| C39 | C38 | C36 | H14 | 180.0° | 180.0° |
| C39 | C38 | C36 | C37 | 178.9° | 180.0° |
| C38 | C39 | N9 | H15 | 28.6° | 46.3° |
| C38 | C39 | C43 | H21 | 178.4° | 179.7° |
| F1 | C37 | C36 | C35 | 65.5° | 60.1° |
| F1 | C37 | C36 | C38 | 119.5° | 120.0° |
| F1 | C37 | C36 | F2 | 114.2° | 120.0° |
| F1 | C37 | C36 | F3 | 125.5° | 120.0° |
| F1 | C37 | F2 | F3 | 114.6° | 119.9° |
| C35 | C36 | C38 | C37 | 175.1° | 179.9° |
| C35 | C36 | C37 | F2 | 179.7° | 180.0° |
| C35 | C36 | C37 | F3 | 60.0° | 59.9° |
| C36 | C35 | C34 | H12 | 83.7° | 39.9° |
| C36 | C35 | C34 | H13 | 35.6° | 160.0° |
| C35 | C36 | C38 | H14 | 176.2° | 179.9° |
| C36 | C35 | C44 | H22 | 176.7° | 179.9° |
| C34 | C35 | C36 | C38 | 175.9° | 180.0° |
| C34 | C35 | C36 | C37 | 0.8° | 0.1° |
| C35 | C34 | N8 | H11 | 91.9° | 0.0° |
| C35 | C34 | H12 | H13 | 119.0° | 120.1° |
| C34 | C35 | C44 | H22 | 2.2° | 0.3° |
| C38 | C36 | C37 | F2 | 5.3° | 0.0° |
| C38 | C36 | C37 | F3 | 115.0° | 120.0° |
| C36 | C37 | F2 | F3 | 123.1° | 120.1° |
| C37 | C36 | C38 | H14 | 1.1° | 0.0° |
| H1 | C4 | C3 | H7 | 0.1° | 0.0° |
| H2 | C6 | C7 | H4 | 59.3° | 59.9° |
| H2 | C6 | C7 | H5 | 60.7° | NaN° |
| H2 | C6 | C7 | H6 | 179.3° | 60.0° |
| H3 | C6 | C7 | H4 | 59.3° | 180.0° |
| H3 | C6 | C7 | H5 | 179.3° | 59.9° |
| H3 | C6 | C7 | H6 | 60.7° | 60.1° |
| H4 | C7 | H5 | H6 | 120.0° | 120.0° |
| H8 | C30 | C31 | H9 | 2.2° | 0.0° |
| H11 | N8 | C34 | H12 | 28.4° | 120.0° |
| H11 | N8 | C34 | H13 | 147.7° | 120.0° |
| H16 | C40 | C41 | H17 | 1.3° | 145.0° |
| H16 | C40 | C41 | H18 | 142.2° | 0.1° |
| H16 | C40 | C42 | H19 | 1.0° | 0.1° |
| H16 | C40 | C42 | H20 | 142.1° | 145.1° |
| H17 | C41 | C42 | H19 | 0.1° | 145.1° |
| H17 | C41 | C42 | H20 | 141.0° | 0.0° |
| H18 | C41 | C42 | H19 | 141.0° | 0.0° |
| H18 | C41 | C42 | H20 | 0.1° | 145.1° |
| H21 | C43 | C44 | H22 | 0.1° | 0.6° |
