XT9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O51 | C32 | sing | 1.42Å | 1.41Å | |
| O51 | C50 | sing | 1.37Å | 1.52Å | |
| O49 | C48 | sing | 1.36Å | 1.41Å | |
| C29 | N28 | sing | 1.47Å | 1.51Å | |
| C29 | C32 | sing | 1.50Å | 1.43Å | |
| C29 | C30 | sing | 1.54Å | 1.64Å | |
| C32 | C33 | sing | 1.54Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C50 | C48 | doub | 1.39Å | 1.43Å | Aromatic |
| C50 | C44 | sing | 1.39Å | 1.36Å | Aromatic |
| C48 | C47 | sing | 1.40Å | 1.39Å | Aromatic |
| C33 | C38 | sing | 1.52Å | 1.67Å | |
| C33 | C44 | sing | 1.48Å | 1.41Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C38 | C39 | sing | 1.54Å | 1.66Å | |
| C44 | C45 | doub | 1.38Å | 1.33Å | Aromatic |
| C47 | C46 | doub | 1.39Å | 1.41Å | Aromatic |
| C31 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | O35 | sing | 1.43Å | 1.41Å | |
| C34 | C36 | sing | 1.53Å | 1.63Å | |
| C45 | C46 | sing | 1.38Å | 1.44Å | Aromatic |
| C45 | C37 | sing | 1.49Å | 1.73Å | |
| C39 | N40 | sing | 1.47Å | 1.37Å | |
| N40 | C36 | sing | 1.47Å | 1.26Å | |
| N40 | C41 | sing | 1.47Å | 1.33Å | |
| C36 | C37 | sing | 1.53Å | 1.75Å | |
| C42 | C41 | sing | 1.53Å | 1.56Å | |
| C42 | C43 | sing | 1.53Å | 1.33Å | |
| C29 | H1 | sing | 1.09Å | 1.10Å | |
| C30 | H2 | sing | 1.09Å | 1.10Å | |
| C30 | H3 | sing | 1.09Å | 1.10Å | |
| C31 | H4 | sing | 1.09Å | 1.10Å | |
| C31 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| C36 | H7 | sing | 1.09Å | 1.10Å | |
| C37 | H8 | sing | 1.09Å | 1.10Å | |
| C37 | H9 | sing | 1.09Å | 1.10Å | |
| C38 | H10 | sing | 1.09Å | 1.10Å | |
| C38 | H11 | sing | 1.09Å | 1.10Å | |
| C39 | H12 | sing | 1.09Å | 1.10Å | |
| C39 | H13 | sing | 1.09Å | 1.10Å | |
| C41 | H14 | sing | 1.09Å | 1.10Å | |
| C41 | H15 | sing | 1.09Å | 1.10Å | |
| C42 | H16 | sing | 1.09Å | 1.10Å | |
| C42 | H17 | sing | 1.09Å | 1.10Å | |
| C43 | H18 | sing | 1.09Å | 1.10Å | |
| C43 | H19 | sing | 1.09Å | 1.10Å | |
| C43 | H20 | sing | 1.09Å | 1.10Å | |
| C46 | H21 | sing | 1.08Å | 1.08Å | |
| C47 | H22 | sing | 1.08Å | 1.08Å | |
| N28 | H23 | sing | 1.01Å | 1.00Å | |
| N28 | H24 | sing | 1.01Å | 1.00Å | |
| O35 | H27 | sing | 0.97Å | 0.95Å | |
| O49 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | O51 | C50 | 97.4° | 107.3° |
| O51 | C32 | C29 | 126.2° | 126.3° |
| O51 | C32 | C33 | 99.0° | 100.7° |
| O51 | C32 | H6 | 104.5° | 108.0° |
| O51 | C50 | C48 | 134.5° | 134.5° |
| O51 | C50 | C44 | 107.0° | 109.8° |
| O49 | C48 | C50 | 120.4° | 121.6° |
| O49 | C48 | C47 | 120.6° | 121.6° |
| C48 | O49 | H28 | 109.5° | 114.0° |
| N28 | C29 | C32 | 105.1° | 109.9° |
| N28 | C29 | C30 | 105.0° | 109.9° |
| N28 | C29 | H1 | 110.1° | 109.9° |
| C29 | N28 | H23 | 109.5° | 111.0° |
| C29 | N28 | H24 | 109.5° | 111.0° |
| C32 | C29 | C30 | 116.7° | 107.3° |
| C29 | C32 | C33 | 117.1° | 104.1° |
| C32 | C29 | H1 | 111.2° | 109.9° |
| C29 | C32 | H6 | 104.3° | 108.5° |
| C29 | C30 | C31 | 116.7° | 114.6° |
| C30 | C29 | H1 | 108.4° | 110.0° |
| C29 | C30 | H2 | 107.6° | 108.5° |
| C29 | C30 | H3 | 107.6° | 108.5° |
| C32 | C33 | C38 | 125.4° | 113.8° |
| C32 | C33 | C44 | 98.7° | 100.4° |
| C32 | C33 | C34 | 110.8° | 109.7° |
| C33 | C32 | H6 | 103.3° | 107.8° |
| C30 | C31 | C34 | 116.0° | 110.8° |
| C31 | C30 | H2 | 107.6° | 108.5° |
| C31 | C30 | H3 | 107.7° | 108.5° |
| C30 | C31 | H4 | 107.8° | 109.2° |
| C30 | C31 | H5 | 107.8° | 109.2° |
| C48 | C50 | C44 | 118.5° | 115.6° |
| C50 | C48 | C47 | 119.0° | 116.8° |
| C50 | C44 | C33 | 107.7° | 106.2° |
| C50 | C44 | C45 | 125.2° | 129.0° |
| C48 | C47 | C46 | 120.0° | 124.8° |
| C48 | C47 | H22 | 120.0° | 117.7° |
| C38 | C33 | C44 | 102.8° | 112.4° |
| C38 | C33 | C34 | 103.8° | 110.6° |
| C33 | C38 | C39 | 112.8° | 108.0° |
| C33 | C38 | H10 | 108.6° | 109.7° |
| C33 | C38 | H11 | 108.6° | 109.8° |
| C44 | C33 | C34 | 115.5° | 109.6° |
| C33 | C44 | C45 | 127.1° | 124.5° |
| C33 | C34 | C31 | 113.1° | 102.4° |
| C33 | C34 | O35 | 106.7° | 111.5° |
| C33 | C34 | C36 | 110.9° | 104.3° |
| C38 | C39 | N40 | 115.2° | 109.9° |
| C39 | C38 | H10 | 108.6° | 109.7° |
| C39 | C38 | H11 | 108.6° | 109.8° |
| C38 | C39 | H12 | 108.0° | 109.4° |
| C38 | C39 | H13 | 108.0° | 109.4° |
| C44 | C45 | C46 | 117.5° | 113.7° |
| C44 | C45 | C37 | 120.5° | 118.1° |
| C47 | C46 | C45 | 119.8° | 119.8° |
| C47 | C46 | H21 | 120.1° | 120.2° |
| C46 | C47 | H22 | 120.0° | 117.6° |
| C31 | C34 | O35 | 105.7° | 111.3° |
| C31 | C34 | C36 | 115.2° | 114.6° |
| C34 | C31 | H4 | 107.8° | 109.1° |
| C34 | C31 | H5 | 107.8° | 109.2° |
| O35 | C34 | C36 | 104.2° | 112.0° |
| C34 | O35 | H27 | 109.5° | 113.9° |
| C34 | C36 | N40 | 109.9° | 109.6° |
| C34 | C36 | C37 | 109.1° | 113.9° |
| C34 | C36 | H7 | 107.1° | 107.8° |
| C46 | C45 | C37 | 122.1° | 128.1° |
| C45 | C46 | H21 | 120.1° | 120.1° |
| C45 | C37 | C36 | 110.5° | 115.6° |
| C45 | C37 | H8 | 109.2° | 108.3° |
| C45 | C37 | H9 | 109.2° | 108.1° |
| C39 | N40 | C36 | 116.0° | 112.9° |
| C39 | N40 | C41 | 111.4° | 111.0° |
| N40 | C39 | H12 | 108.0° | 109.4° |
| N40 | C39 | H13 | 108.0° | 109.4° |
| C36 | N40 | C41 | 110.8° | 111.0° |
| N40 | C36 | C37 | 112.5° | 110.5° |
| N40 | C36 | H7 | 112.2° | 107.0° |
| N40 | C41 | C42 | 110.6° | 109.4° |
| N40 | C41 | H14 | 109.2° | 109.5° |
| N40 | C41 | H15 | 109.2° | 109.5° |
| C37 | C36 | H7 | 105.8° | 107.8° |
| C36 | C37 | H8 | 109.2° | 108.2° |
| C36 | C37 | H9 | 109.2° | 108.2° |
| C41 | C42 | C43 | 111.0° | 109.5° |
| C42 | C41 | H14 | 109.2° | 109.4° |
| C42 | C41 | H15 | 109.2° | 109.4° |
| C41 | C42 | H16 | 109.1° | 109.5° |
| C41 | C42 | H17 | 109.1° | 109.4° |
| C43 | C42 | H16 | 109.1° | 109.5° |
| C43 | C42 | H17 | 109.1° | 109.5° |
| C42 | C43 | H18 | 109.5° | 109.4° |
| C42 | C43 | H19 | 109.4° | 109.5° |
| C42 | C43 | H20 | 109.4° | 109.5° |
| H2 | C30 | H3 | 109.5° | 108.3° |
| H4 | C31 | H5 | 109.5° | 109.2° |
| H8 | C37 | H9 | 109.5° | 108.1° |
| H10 | C38 | H11 | 109.5° | 109.8° |
| H12 | C39 | H13 | 109.4° | 109.3° |
| H14 | C41 | H15 | 109.5° | 109.5° |
| H16 | C42 | H17 | 109.5° | 109.5° |
| H18 | C43 | H19 | 109.5° | 109.4° |
| H18 | C43 | H20 | 109.5° | 109.5° |
| H19 | C43 | H20 | 109.5° | 109.5° |
| H23 | N28 | H24 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O51 | C32 | C29 | N28 | 114.0° | 64.0° |
| O51 | C32 | C29 | C33 | 126.2° | 114.9° |
| O51 | C32 | C29 | H6 | 120.5° | 130.5° |
| O51 | C32 | C29 | C30 | 130.2° | 176.5° |
| O51 | C32 | C33 | H6 | 107.4° | 113.0° |
| C32 | O51 | C50 | C48 | 146.2° | 154.7° |
| C32 | O51 | C50 | C44 | 32.7° | 22.3° |
| O51 | C32 | C33 | C38 | 60.2° | 83.0° |
| O51 | C32 | C33 | C44 | 52.4° | 37.3° |
| O51 | C32 | C33 | C34 | 174.0° | 152.6° |
| O51 | C32 | C29 | H1 | 5.1° | 57.0° |
| O51 | C50 | C48 | O49 | 0.9° | 5.1° |
| C50 | O51 | C32 | C29 | 176.9° | 153.6° |
| C50 | O51 | C32 | C33 | 49.7° | 37.2° |
| O51 | C50 | C48 | C44 | 178.9° | 176.9° |
| O51 | C50 | C48 | C47 | 179.0° | 174.9° |
| O51 | C50 | C44 | C33 | 0.9° | 3.7° |
| O51 | C50 | C44 | C45 | 178.9° | 171.1° |
| C50 | O51 | C32 | H6 | 56.6° | 75.7° |
| O49 | C48 | C50 | C47 | 179.9° | 180.0° |
| O49 | C48 | C50 | C44 | 179.8° | 178.1° |
| O49 | C48 | C47 | C46 | 179.8° | 178.6° |
| O49 | C48 | C47 | H22 | 0.2° | 1.4° |
| N28 | C29 | C32 | C30 | 115.8° | 119.4° |
| N28 | C29 | C32 | H1 | 119.1° | 121.0° |
| N28 | C29 | C30 | H1 | 117.6° | 121.1° |
| N28 | C29 | C32 | C33 | 119.8° | 178.9° |
| N28 | C29 | C30 | C31 | 86.9° | 174.1° |
| N28 | C29 | C30 | H2 | 34.1° | 52.8° |
| N28 | C29 | C30 | H3 | 152.1° | 64.6° |
| N28 | C29 | C32 | H6 | 6.5° | 66.4° |
| C29 | N28 | H23 | H24 | 120.0° | 124.0° |
| C32 | C29 | C30 | H1 | 126.5° | 119.5° |
| C29 | C32 | C33 | H6 | 113.9° | 115.1° |
| C32 | C29 | C30 | C31 | 29.0° | 54.7° |
| C29 | C32 | C33 | C38 | 78.5° | 49.0° |
| C29 | C32 | C33 | C44 | 168.9° | 169.2° |
| C29 | C32 | C33 | C34 | 47.2° | 75.4° |
| C32 | C29 | C30 | H2 | 150.0° | 66.6° |
| C32 | C29 | C30 | H3 | 92.0° | 176.0° |
| C32 | C29 | N28 | H23 | 180.0° | 180.0° |
| C32 | C29 | N28 | H24 | 60.0° | 56.0° |
| C30 | C29 | C32 | C33 | 4.0° | 61.6° |
| C29 | C30 | C31 | H2 | 121.0° | 121.3° |
| C29 | C30 | C31 | H3 | 121.0° | 121.3° |
| C29 | C30 | C31 | C34 | 16.4° | 53.4° |
| C29 | C30 | H2 | H3 | 116.7° | 117.5° |
| C29 | C30 | C31 | H4 | 104.6° | 173.6° |
| C29 | C30 | C31 | H5 | 137.3° | 67.0° |
| C30 | C29 | C32 | H6 | 109.3° | 53.0° |
| C30 | C29 | N28 | H23 | 56.4° | 62.2° |
| C30 | C29 | N28 | H24 | 63.6° | 61.8° |
| C32 | C33 | C44 | C50 | 31.2° | 25.4° |
| C32 | C33 | C38 | C44 | 110.7° | 113.2° |
| C32 | C33 | C38 | C34 | 128.6° | 124.0° |
| C32 | C33 | C44 | C34 | 118.1° | 115.4° |
| C32 | C33 | C38 | C39 | 167.6° | 174.7° |
| C32 | C33 | C44 | C45 | 148.5° | 149.7° |
| C32 | C33 | C34 | C31 | 59.3° | 70.9° |
| C32 | C33 | C34 | O35 | 56.6° | 48.2° |
| C32 | C33 | C34 | C36 | 169.5° | 169.3° |
| C33 | C32 | C29 | H1 | 121.1° | 57.9° |
| C32 | C33 | C38 | H10 | 47.1° | 65.7° |
| C32 | C33 | C38 | H11 | 71.9° | 55.0° |
| C30 | C31 | C34 | C33 | 26.5° | 57.2° |
| C30 | C31 | C34 | H4 | 121.0° | 120.3° |
| C30 | C31 | C34 | H5 | 121.0° | 120.4° |
| C30 | C31 | C34 | O35 | 90.0° | 62.0° |
| C30 | C31 | C34 | C36 | 155.5° | 169.5° |
| C31 | C30 | C29 | H1 | 155.5° | 64.8° |
| C31 | C30 | H2 | H3 | 116.8° | 117.5° |
| C30 | C31 | H4 | H5 | 117.0° | 119.4° |
| C48 | C50 | C44 | C33 | 180.0° | 178.7° |
| C48 | C50 | C44 | C45 | 0.3° | 6.5° |
| C50 | C48 | C47 | C46 | 0.0° | 1.4° |
| C50 | C48 | C47 | H22 | 180.0° | 178.6° |
| C50 | C48 | O49 | H28 | 180.0° | 90.0° |
| C44 | C50 | C48 | C47 | 0.1° | 2.0° |
| C50 | C44 | C33 | C38 | 98.3° | 95.8° |
| C50 | C44 | C33 | C45 | 179.7° | 175.2° |
| C50 | C44 | C33 | C34 | 149.3° | 140.8° |
| C50 | C44 | C45 | C46 | 0.7° | 6.7° |
| C50 | C44 | C45 | C37 | 179.6° | 171.0° |
| C48 | C47 | C46 | H22 | 180.0° | 180.0° |
| C48 | C47 | C46 | C45 | 0.4° | 1.0° |
| C48 | C47 | C46 | H21 | 179.6° | 178.9° |
| C47 | C48 | O49 | H28 | 0.1° | 90.0° |
| C38 | C33 | C44 | C34 | 112.4° | 123.4° |
| C33 | C38 | C39 | H10 | 120.5° | 119.6° |
| C33 | C38 | C39 | H11 | 120.5° | 119.7° |
| C38 | C33 | C44 | C45 | 82.0° | 89.0° |
| C38 | C33 | C34 | C31 | 77.8° | 55.4° |
| C38 | C33 | C34 | O35 | 166.4° | 174.5° |
| C38 | C33 | C34 | C36 | 53.4° | 64.4° |
| C33 | C38 | C39 | N40 | 35.9° | 55.0° |
| C38 | C33 | C32 | H6 | 167.6° | 164.1° |
| C33 | C38 | H10 | H11 | 118.5° | 120.8° |
| C33 | C38 | C39 | H12 | 156.7° | 175.1° |
| C33 | C38 | C39 | H13 | 85.0° | 65.2° |
| C44 | C33 | C38 | C39 | 81.7° | 61.5° |
| C44 | C33 | C34 | C31 | 170.4° | 179.8° |
| C44 | C33 | C34 | O35 | 54.6° | 61.0° |
| C44 | C33 | C34 | C36 | 58.3° | 60.0° |
| C33 | C44 | C45 | C46 | 179.6° | 179.3° |
| C33 | C44 | C45 | C37 | 0.8° | 3.0° |
| C44 | C33 | C32 | H6 | 55.0° | 75.7° |
| C44 | C33 | C38 | H10 | 157.8° | 178.9° |
| C44 | C33 | C38 | H11 | 38.8° | 58.2° |
| C34 | C33 | C38 | C39 | 39.0° | 61.3° |
| C34 | C33 | C44 | C45 | 30.4° | 34.3° |
| C33 | C34 | C31 | O35 | 116.4° | 119.2° |
| C33 | C34 | C31 | C36 | 129.1° | 112.3° |
| C33 | C34 | O35 | C36 | 117.5° | 116.5° |
| C33 | C34 | C36 | N40 | 71.2° | 62.8° |
| C33 | C34 | C36 | C37 | 52.7° | 61.6° |
| C33 | C34 | C31 | H4 | 147.5° | 177.5° |
| C33 | C34 | C31 | H5 | 94.5° | 63.1° |
| C34 | C33 | C32 | H6 | 66.7° | 39.6° |
| C33 | C34 | C36 | H7 | 166.8° | 178.9° |
| C34 | C33 | C38 | H10 | 81.5° | 58.2° |
| C34 | C33 | C38 | H11 | 159.5° | 179.0° |
| C33 | C34 | O35 | H27 | 180.0° | 173.7° |
| C38 | C39 | N40 | H12 | 120.9° | 120.1° |
| C38 | C39 | N40 | H13 | 120.9° | 120.2° |
| C38 | C39 | N40 | C36 | 51.1° | 57.0° |
| C38 | C39 | N40 | C41 | 179.0° | 177.7° |
| C39 | C38 | H10 | H11 | 118.5° | 120.7° |
| C38 | C39 | H12 | H13 | 117.4° | 119.8° |
| C44 | C45 | C46 | C47 | 0.8° | 2.6° |
| C44 | C45 | C46 | C37 | 178.8° | 177.4° |
| C44 | C45 | C37 | C36 | 2.3° | 1.6° |
| C44 | C45 | C37 | H8 | 117.8° | 120.0° |
| C44 | C45 | C37 | H9 | 122.5° | 123.0° |
| C44 | C45 | C46 | H21 | 179.2° | 177.5° |
| C47 | C46 | C45 | H21 | 180.0° | 179.9° |
| C47 | C46 | C45 | C37 | 179.6° | 174.8° |
| C31 | C34 | O35 | C36 | 121.9° | 129.8° |
| C31 | C34 | C36 | N40 | 59.0° | 48.4° |
| C31 | C34 | C36 | C37 | 177.2° | 172.8° |
| C34 | C31 | C30 | H2 | 137.4° | 68.0° |
| C34 | C31 | C30 | H3 | 104.6° | 174.7° |
| C34 | C31 | H4 | H5 | 117.0° | 119.3° |
| C31 | C34 | C36 | H7 | 63.1° | 67.7° |
| C31 | C34 | O35 | H27 | 59.3° | 60.1° |
| O35 | C34 | C36 | N40 | 174.3° | 176.5° |
| O35 | C34 | C36 | C37 | 61.8° | 59.1° |
| O35 | C34 | C31 | H4 | 31.0° | 58.3° |
| O35 | C34 | C31 | H5 | 149.1° | 177.6° |
| O35 | C34 | C36 | H7 | 52.3° | 60.4° |
| C34 | C36 | C37 | C45 | 24.2° | 32.9° |
| C34 | C36 | N40 | C39 | 66.2° | 62.2° |
| C34 | C36 | N40 | C37 | 121.8° | 126.3° |
| C34 | C36 | N40 | H7 | 119.0° | 116.6° |
| C34 | C36 | N40 | C41 | 165.6° | 172.4° |
| C34 | C36 | C37 | H7 | 114.9° | 119.5° |
| C36 | C34 | C31 | H4 | 83.5° | 70.2° |
| C36 | C34 | C31 | H5 | 34.6° | 49.2° |
| C34 | C36 | C37 | H8 | 144.3° | 88.7° |
| C34 | C36 | C37 | H9 | 96.0° | 154.3° |
| C36 | C34 | O35 | H27 | 62.6° | 69.8° |
| C46 | C45 | C37 | C36 | 178.9° | 178.9° |
| C46 | C45 | C37 | H8 | 61.0° | 57.3° |
| C46 | C45 | C37 | H9 | 58.7° | 59.6° |
| C45 | C46 | C47 | H22 | 179.6° | 179.0° |
| C45 | C37 | C36 | N40 | 98.1° | 91.0° |
| C45 | C37 | C36 | H8 | 120.1° | 121.6° |
| C45 | C37 | C36 | H9 | 120.2° | 121.4° |
| C45 | C37 | C36 | H7 | 139.1° | 152.4° |
| C45 | C37 | H8 | H9 | 119.5° | 117.0° |
| C37 | C45 | C46 | H21 | 0.4° | 5.1° |
| C39 | N40 | C36 | C41 | 128.2° | 125.4° |
| C39 | N40 | C36 | C37 | 55.6° | 64.1° |
| C39 | N40 | C41 | C42 | 69.7° | 66.1° |
| C39 | N40 | C36 | H7 | 174.8° | 178.8° |
| N40 | C39 | C38 | H10 | 84.6° | 64.5° |
| N40 | C39 | C38 | H11 | 156.4° | 174.7° |
| N40 | C39 | H12 | H13 | 117.3° | 119.8° |
| C39 | N40 | C41 | H14 | 50.4° | 174.0° |
| C39 | N40 | C41 | H15 | 170.1° | 53.9° |
| N40 | C36 | C37 | H7 | 122.8° | 116.6° |
| C36 | N40 | C41 | C42 | 159.6° | 167.5° |
| N40 | C36 | C37 | H8 | 22.1° | 147.4° |
| N40 | C36 | C37 | H9 | 141.8° | 30.4° |
| C36 | N40 | C39 | H12 | 171.9° | 177.1° |
| C36 | N40 | C39 | H13 | 69.8° | 63.2° |
| C36 | N40 | C41 | H14 | 80.3° | 47.6° |
| C36 | N40 | C41 | H15 | 39.4° | 72.5° |
| C41 | N40 | C36 | C37 | 72.6° | 61.2° |
| N40 | C41 | C42 | H14 | 120.2° | 120.0° |
| N40 | C41 | C42 | H15 | 120.1° | 120.0° |
| N40 | C41 | C42 | C43 | 168.6° | 180.0° |
| C41 | N40 | C36 | H7 | 46.6° | 55.9° |
| C41 | N40 | C39 | H12 | 60.2° | 57.6° |
| C41 | N40 | C39 | H13 | 58.1° | 62.1° |
| N40 | C41 | H14 | H15 | 119.5° | 120.1° |
| N40 | C41 | C42 | H16 | 48.3° | 60.0° |
| N40 | C41 | C42 | H17 | 71.2° | 60.0° |
| C36 | C37 | H8 | H9 | 119.5° | 117.0° |
| C41 | C42 | C43 | H16 | 120.2° | 120.0° |
| C41 | C42 | C43 | H17 | 120.2° | 120.0° |
| C42 | C41 | H14 | H15 | 119.5° | 119.9° |
| C41 | C42 | H16 | H17 | 119.3° | 119.9° |
| C41 | C42 | C43 | H18 | 180.0° | 60.0° |
| C41 | C42 | C43 | H19 | 60.0° | 59.9° |
| C41 | C42 | C43 | H20 | 60.0° | 180.0° |
| C43 | C42 | C41 | H14 | 71.3° | 60.0° |
| C43 | C42 | C41 | H15 | 48.4° | 60.0° |
| C43 | C42 | H16 | H17 | 119.3° | 120.1° |
| C42 | C43 | H18 | H19 | 120.0° | 120.0° |
| C42 | C43 | H18 | H20 | 120.0° | 120.0° |
| C42 | C43 | H19 | H20 | 119.9° | 120.1° |
| H1 | C29 | C30 | H2 | 83.5° | 173.9° |
| H1 | C29 | C30 | H3 | 34.5° | 56.6° |
| H1 | C29 | C32 | H6 | 125.6° | 172.5° |
| H1 | C29 | N28 | H23 | 60.1° | 59.0° |
| H1 | C29 | N28 | H24 | 179.9° | 177.0° |
| H2 | C30 | C31 | H4 | 16.4° | 52.3° |
| H2 | C30 | C31 | H5 | 101.7° | 171.7° |
| H3 | C30 | C31 | H4 | 134.4° | 65.1° |
| H3 | C30 | C31 | H5 | 16.3° | 54.3° |
| H7 | C36 | C37 | H8 | 100.7° | 30.8° |
| H7 | C36 | C37 | H9 | 19.0° | 86.2° |
| H10 | C38 | C39 | H12 | 36.2° | 55.6° |
| H10 | C38 | C39 | H13 | 154.5° | 175.3° |
| H11 | C38 | C39 | H12 | 82.7° | 65.2° |
| H11 | C38 | C39 | H13 | 35.6° | 54.5° |
| H14 | C41 | C42 | H16 | 168.5° | 60.0° |
| H14 | C41 | C42 | H17 | 49.0° | 180.0° |
| H15 | C41 | C42 | H16 | 71.8° | 180.0° |
| H15 | C41 | C42 | H17 | 168.7° | 60.0° |
| H16 | C42 | C43 | H18 | 59.8° | 180.0° |
| H16 | C42 | C43 | H19 | 179.8° | 60.1° |
| H16 | C42 | C43 | H20 | 60.2° | 60.0° |
| H17 | C42 | C43 | H18 | 59.8° | 60.0° |
| H17 | C42 | C43 | H19 | 60.2° | 179.9° |
| H17 | C42 | C43 | H20 | 179.8° | 60.0° |
| H18 | C43 | H19 | H20 | 120.0° | 120.0° |
| H21 | C46 | C47 | H22 | 0.4° | 1.1° |
