A1IRM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | sing | 1.51Å | 1.53Å | |
| C25 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| CL32 | AU31 | sing | 2.29Å | 2.30Å | |
| C28 | C29 | sing | 1.51Å | 1.54Å | |
| C28 | C21 | doub | 1.41Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.41Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.50Å | 1.54Å | |
| C21 | N20 | sing | 1.46Å | 1.47Å | |
| AU31 | C30 | sing | 2.01Å | 2.02Å | |
| N20 | C30 | sing | 1.35Å | 1.45Å | |
| N20 | C12 | sing | 1.51Å | 1.50Å | |
| C30 | N10 | sing | 1.35Å | 1.52Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.54Å | 1.54Å | |
| C12 | C11 | sing | 1.61Å | 1.48Å | |
| N10 | C11 | sing | 1.50Å | 1.48Å | |
| N10 | C09 | sing | 1.46Å | 1.50Å | |
| C13 | N14 | sing | 1.47Å | 1.47Å | |
| C07 | C09 | doub | 1.41Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C17 | sing | 1.54Å | 1.55Å | |
| C09 | C02 | sing | 1.41Å | 1.40Å | Aromatic |
| O18 | S15 | doub | 1.43Å | 1.47Å | |
| N14 | S15 | sing | 1.63Å | 1.74Å | |
| C17 | N16 | sing | 1.47Å | 1.45Å | |
| C06 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.51Å | |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| S15 | N16 | sing | 1.63Å | 1.73Å | |
| S15 | O19 | doub | 1.43Å | 1.47Å | |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C13 | H1 | sing | 0.99Å | 1.10Å | |
| C13 | H2 | sing | 0.99Å | 1.10Å | |
| C17 | H3 | sing | 0.99Å | 1.10Å | |
| C17 | H4 | sing | 0.99Å | 1.10Å | |
| C24 | H5 | sing | 0.95Å | 1.08Å | |
| C26 | H6 | sing | 0.97Å | 1.10Å | |
| C26 | H7 | sing | 0.97Å | 1.10Å | |
| C26 | H8 | sing | 0.97Å | 1.10Å | |
| C01 | H9 | sing | 0.97Å | 1.10Å | |
| C01 | H10 | sing | 0.97Å | 1.10Å | |
| C01 | H11 | sing | 0.97Å | 1.10Å | |
| C03 | H12 | sing | 0.95Å | 1.08Å | |
| C05 | H13 | sing | 0.97Å | 1.10Å | |
| C05 | H14 | sing | 0.97Å | 1.10Å | |
| C05 | H15 | sing | 0.97Å | 1.10Å | |
| C06 | H16 | sing | 0.95Å | 1.08Å | |
| C08 | H17 | sing | 0.97Å | 1.10Å | |
| C08 | H18 | sing | 0.97Å | 1.10Å | |
| C08 | H19 | sing | 0.97Å | 1.10Å | |
| C11 | H20 | sing | 0.98Å | 1.10Å | |
| C12 | H21 | sing | 0.98Å | 1.10Å | |
| N14 | H22 | sing | 0.85Å | 1.00Å | |
| N16 | H23 | sing | 0.85Å | 1.00Å | |
| C23 | H24 | sing | 0.97Å | 1.10Å | |
| C23 | H25 | sing | 0.97Å | 1.10Å | |
| C23 | H26 | sing | 0.97Å | 1.10Å | |
| C27 | H27 | sing | 0.95Å | 1.08Å | |
| C29 | H28 | sing | 0.97Å | 1.10Å | |
| C29 | H29 | sing | 0.97Å | 1.10Å | |
| C29 | H30 | sing | 0.97Å | 1.10Å | |
| C30 | H31 | sing | 0.94Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C27 | 120.6° | 121.2° |
| C26 | C25 | C24 | 118.4° | 121.3° |
| C25 | C26 | H6 | 109.5° | 109.8° |
| C25 | C26 | H7 | 109.5° | 109.8° |
| C25 | C26 | H8 | 109.4° | 109.5° |
| C27 | C25 | C24 | 121.0° | 117.5° |
| C25 | C27 | C28 | 119.1° | 122.8° |
| C25 | C27 | H27 | 120.5° | 118.4° |
| C25 | C24 | C22 | 120.8° | 123.2° |
| C25 | C24 | H5 | 119.6° | 118.1° |
| C27 | C28 | C29 | 118.8° | 117.4° |
| C27 | C28 | C21 | 119.8° | 118.4° |
| C28 | C27 | H27 | 120.5° | 118.8° |
| C24 | C22 | C21 | 118.4° | 118.1° |
| C24 | C22 | C23 | 118.9° | 117.2° |
| C22 | C24 | H5 | 119.6° | 118.7° |
| CL32 | AU31 | C30 | 179.4° | 178.1° |
| C29 | C28 | C21 | 121.4° | 123.8° |
| C28 | C29 | H28 | 109.5° | 109.6° |
| C28 | C29 | H29 | 109.5° | 110.3° |
| C28 | C29 | H30 | 109.5° | 109.6° |
| C28 | C21 | C22 | 120.8° | 119.6° |
| C28 | C21 | N20 | 119.3° | 118.3° |
| C21 | C22 | C23 | 122.7° | 124.6° |
| C22 | C21 | N20 | 119.4° | 121.5° |
| C22 | C23 | H24 | 109.5° | 109.5° |
| C22 | C23 | H25 | 109.5° | 110.4° |
| C22 | C23 | H26 | 109.5° | 109.5° |
| C21 | N20 | C30 | 124.0° | 128.4° |
| C21 | N20 | C12 | 127.3° | 123.3° |
| AU31 | C30 | N20 | 123.8° | 104.6° |
| AU31 | C30 | N10 | 128.5° | 100.9° |
| AU31 | C30 | H31 | 90.2° | 79.4° |
| C30 | N20 | C12 | 108.5° | 108.1° |
| N20 | C30 | N10 | 107.7° | 110.9° |
| N20 | C30 | H31 | 90.2° | 123.5° |
| N20 | C12 | C13 | 110.4° | 113.4° |
| N20 | C12 | C11 | 108.1° | 101.7° |
| N20 | C12 | H21 | 108.8° | 107.4° |
| C30 | N10 | C11 | 107.5° | 108.8° |
| C30 | N10 | C09 | 127.6° | 128.3° |
| N10 | C30 | H31 | 90.2° | 123.8° |
| C08 | C07 | C09 | 120.6° | 124.0° |
| C08 | C07 | C06 | 119.6° | 117.2° |
| C07 | C08 | H17 | 109.5° | 110.3° |
| C07 | C08 | H18 | 109.4° | 109.6° |
| C07 | C08 | H19 | 109.5° | 109.6° |
| C13 | C12 | C11 | 112.1° | 120.0° |
| C12 | C13 | N14 | 109.6° | 111.4° |
| C12 | C13 | H1 | 109.4° | 109.0° |
| C12 | C13 | H2 | 109.4° | 109.6° |
| C13 | C12 | H21 | 108.3° | 106.6° |
| C12 | C11 | N10 | 108.0° | 101.8° |
| C12 | C11 | C17 | 114.5° | 119.9° |
| C12 | C11 | H20 | 108.4° | 107.1° |
| C11 | C12 | H21 | 109.1° | 107.0° |
| C11 | N10 | C09 | 124.8° | 122.9° |
| N10 | C11 | C17 | 109.7° | 112.9° |
| N10 | C11 | H20 | 108.5° | 107.6° |
| N10 | C09 | C07 | 119.6° | 121.5° |
| N10 | C09 | C02 | 120.0° | 117.9° |
| C13 | N14 | S15 | 129.7° | 122.0° |
| N14 | C13 | H1 | 109.4° | 109.3° |
| N14 | C13 | H2 | 109.5° | 109.5° |
| C13 | N14 | H22 | 104.2° | 118.2° |
| C09 | C07 | C06 | 119.8° | 118.0° |
| C07 | C09 | C02 | 120.1° | 119.5° |
| C07 | C06 | C04 | 119.5° | 123.1° |
| C07 | C06 | H16 | 120.3° | 118.7° |
| C11 | C17 | N16 | 109.8° | 111.4° |
| C11 | C17 | H3 | 109.4° | 109.6° |
| C11 | C17 | H4 | 109.4° | 109.0° |
| C17 | C11 | H20 | 107.6° | 106.8° |
| C09 | C02 | C01 | 121.6° | 123.8° |
| C09 | C02 | C03 | 119.8° | 118.4° |
| O18 | S15 | N14 | 104.6° | 106.1° |
| O18 | S15 | N16 | 104.6° | 105.7° |
| O18 | S15 | O19 | 117.0° | 119.9° |
| N14 | S15 | N16 | 119.3° | 108.7° |
| N14 | S15 | O19 | 106.6° | 108.1° |
| S15 | N14 | H22 | 104.2° | 115.7° |
| C17 | N16 | S15 | 127.8° | 121.7° |
| N16 | C17 | H3 | 109.4° | 109.6° |
| N16 | C17 | H4 | 109.4° | 109.4° |
| C17 | N16 | H23 | 104.7° | 118.1° |
| C06 | C04 | C03 | 121.2° | 117.5° |
| C06 | C04 | C05 | 120.3° | 121.3° |
| C04 | C06 | H16 | 120.3° | 118.2° |
| C01 | C02 | C03 | 118.5° | 117.7° |
| C02 | C01 | H9 | 109.5° | 110.2° |
| C02 | C01 | H10 | 109.5° | 109.6° |
| C02 | C01 | H11 | 109.5° | 109.6° |
| C02 | C03 | C04 | 119.5° | 122.9° |
| C02 | C03 | H12 | 120.3° | 118.8° |
| N16 | S15 | O19 | 105.4° | 107.9° |
| S15 | N16 | H23 | 104.7° | 115.4° |
| C03 | C04 | C05 | 118.4° | 121.3° |
| C04 | C03 | H12 | 120.3° | 118.3° |
| C04 | C05 | H13 | 109.5° | 109.8° |
| C04 | C05 | H14 | 109.5° | 109.8° |
| C04 | C05 | H15 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.5° | 107.9° |
| H3 | C17 | H4 | 109.5° | 107.9° |
| H6 | C26 | H7 | 109.5° | 109.1° |
| H6 | C26 | H8 | 109.5° | 109.3° |
| H7 | C26 | H8 | 109.5° | 109.3° |
| H9 | C01 | H10 | 109.5° | 108.6° |
| H9 | C01 | H11 | 109.4° | 109.3° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H13 | C05 | H14 | 109.5° | 109.1° |
| H13 | C05 | H15 | 109.5° | 109.2° |
| H14 | C05 | H15 | 109.4° | 109.4° |
| H17 | C08 | H18 | 109.4° | 108.4° |
| H17 | C08 | H19 | 109.5° | 108.7° |
| H18 | C08 | H19 | 109.5° | 110.2° |
| H24 | C23 | H25 | 109.5° | 108.5° |
| H24 | C23 | H26 | 109.4° | 110.2° |
| H25 | C23 | H26 | 109.5° | 108.7° |
| H28 | C29 | H29 | 109.5° | 108.7° |
| H28 | C29 | H30 | 109.4° | 109.4° |
| H29 | C29 | H30 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C27 | C24 | 179.3° | 179.6° |
| C26 | C25 | C27 | C28 | 179.3° | 178.5° |
| C26 | C25 | C24 | C22 | 179.1° | 180.0° |
| C26 | C25 | C24 | H5 | 0.9° | 0.5° |
| C25 | C26 | H6 | H7 | 120.0° | 120.4° |
| C25 | C26 | H6 | H8 | 120.0° | 120.1° |
| C25 | C26 | H7 | H8 | 120.0° | 120.2° |
| C26 | C25 | C27 | H27 | 0.7° | 0.1° |
| C25 | C27 | C28 | H27 | 180.0° | 178.4° |
| C27 | C25 | C24 | C22 | 0.2° | 0.4° |
| C25 | C27 | C28 | C29 | 179.2° | 178.1° |
| C25 | C27 | C28 | C21 | 2.5° | 5.5° |
| C27 | C25 | C24 | H5 | 179.8° | 179.9° |
| C27 | C25 | C26 | H6 | 89.6° | 150.1° |
| C27 | C25 | C26 | H7 | 150.4° | 30.1° |
| C27 | C25 | C26 | H8 | 30.4° | 90.0° |
| C24 | C25 | C27 | C28 | 0.1° | 1.9° |
| C25 | C24 | C22 | H5 | 180.0° | 179.5° |
| C25 | C24 | C22 | C21 | 2.0° | 2.6° |
| C25 | C24 | C22 | C23 | 179.7° | 179.6° |
| C24 | C25 | C26 | H6 | 89.6° | 30.3° |
| C24 | C25 | C26 | H7 | 30.4° | 150.3° |
| C24 | C25 | C26 | H8 | 150.4° | 89.7° |
| C24 | C25 | C27 | H27 | 180.0° | 179.7° |
| C27 | C28 | C29 | C21 | 178.3° | 172.2° |
| C27 | C28 | C21 | C22 | 4.7° | 7.6° |
| C27 | C28 | C21 | N20 | 176.9° | 178.6° |
| C27 | C28 | C29 | H28 | 90.8° | 140.7° |
| C27 | C28 | C29 | H29 | 149.2° | 21.1° |
| C27 | C28 | C29 | H30 | 29.2° | 99.2° |
| C24 | C22 | C21 | C28 | 4.4° | 6.2° |
| C24 | C22 | C21 | C23 | 177.6° | 177.6° |
| C24 | C22 | C21 | N20 | 176.6° | 177.0° |
| C24 | C22 | C23 | H24 | 88.9° | 129.0° |
| C24 | C22 | C23 | H25 | 151.1° | 9.6° |
| C24 | C22 | C23 | H26 | 31.1° | 110.1° |
| CL32 | AU31 | C30 | N20 | 52.2° | 37.9° |
| CL32 | AU31 | C30 | N10 | 128.6° | 77.3° |
| CL32 | AU31 | C30 | H31 | 38.2° | 160.0° |
| C29 | C28 | C21 | C22 | 177.0° | 179.7° |
| C29 | C28 | C21 | N20 | 4.8° | 9.2° |
| C29 | C28 | C27 | H27 | 0.8° | 3.5° |
| C28 | C29 | H28 | H29 | 120.0° | 120.6° |
| C28 | C29 | H28 | H30 | 120.0° | 120.2° |
| C28 | C29 | H29 | H30 | 120.0° | 120.5° |
| C28 | C21 | C22 | N20 | 172.2° | 170.8° |
| C28 | C21 | C22 | C23 | 178.0° | 176.2° |
| C28 | C21 | N20 | C30 | 89.2° | 118.4° |
| C28 | C21 | N20 | C12 | 85.2° | 67.2° |
| C21 | C28 | C27 | H27 | 177.6° | 176.1° |
| C21 | C28 | C29 | H28 | 90.9° | 31.5° |
| C21 | C28 | C29 | H29 | 29.1° | 151.1° |
| C21 | C28 | C29 | H30 | 149.1° | 88.6° |
| C22 | C21 | N20 | C30 | 83.1° | 70.7° |
| C22 | C21 | N20 | C12 | 102.5° | 103.7° |
| C21 | C22 | C24 | H5 | 178.0° | 177.9° |
| C21 | C22 | C23 | H24 | 88.7° | 53.3° |
| C21 | C22 | C23 | H25 | 31.3° | 172.7° |
| C21 | C22 | C23 | H26 | 151.3° | 67.6° |
| C23 | C22 | C21 | N20 | 5.8° | 5.4° |
| C23 | C22 | C24 | H5 | 0.3° | 0.1° |
| C22 | C23 | H24 | H25 | 120.0° | 120.6° |
| C22 | C23 | H24 | H26 | 120.0° | 120.5° |
| C22 | C23 | H25 | H26 | 120.0° | 120.1° |
| C21 | N20 | C30 | AU31 | 2.4° | 97.9° |
| C21 | N20 | C30 | C12 | 175.4° | 175.0° |
| C21 | N20 | C30 | N10 | 178.2° | 154.1° |
| C21 | N20 | C12 | C13 | 57.5° | 63.8° |
| C21 | N20 | C12 | C11 | 179.5° | 165.9° |
| C21 | N20 | C12 | H21 | 61.2° | 53.7° |
| C21 | N20 | C30 | H31 | 87.9° | 11.1° |
| AU31 | C30 | N20 | N10 | 179.4° | 108.0° |
| AU31 | C30 | N20 | H31 | 90.3° | 86.8° |
| AU31 | C30 | N20 | C12 | 177.8° | 77.1° |
| AU31 | C30 | N10 | H31 | 90.4° | 84.4° |
| AU31 | C30 | N10 | C11 | 179.6° | 81.1° |
| AU31 | C30 | N10 | C09 | 0.7° | 100.4° |
| N20 | C30 | N10 | H31 | 90.3° | 165.2° |
| C30 | N20 | C12 | C13 | 127.3° | 111.5° |
| C30 | N20 | C12 | C11 | 4.3° | 18.8° |
| N20 | C30 | N10 | C11 | 0.3° | 29.3° |
| N20 | C30 | N10 | C09 | 180.0° | 149.3° |
| C30 | N20 | C12 | H21 | 114.0° | 131.0° |
| C12 | N20 | C30 | N10 | 2.8° | 30.8° |
| N20 | C12 | C13 | C11 | 120.6° | 120.4° |
| N20 | C12 | C13 | H21 | 119.0° | 118.0° |
| N20 | C12 | C11 | H21 | 118.1° | 112.5° |
| N20 | C12 | C11 | N10 | 4.1° | 2.2° |
| N20 | C12 | C13 | N14 | 167.0° | 174.7° |
| N20 | C12 | C11 | C17 | 126.7° | 127.6° |
| N20 | C12 | C13 | H1 | 73.0° | 54.0° |
| N20 | C12 | C13 | H2 | 47.0° | 63.9° |
| N20 | C12 | C11 | H20 | 113.2° | 110.6° |
| C12 | N20 | C30 | H31 | 87.5° | 163.9° |
| C30 | N10 | C11 | C12 | 2.4° | 15.0° |
| C30 | N10 | C11 | C09 | 179.7° | 178.6° |
| C30 | N10 | C09 | C07 | 84.7° | 65.9° |
| C30 | N10 | C11 | C17 | 127.8° | 115.0° |
| C30 | N10 | C09 | C02 | 102.0° | 101.8° |
| C30 | N10 | C11 | H20 | 114.9° | 127.5° |
| C08 | C07 | C09 | N10 | 4.4° | 12.7° |
| C08 | C07 | C09 | C06 | 178.4° | 169.8° |
| C08 | C07 | C09 | C02 | 177.7° | 179.8° |
| C08 | C07 | C06 | C04 | 179.4° | 177.5° |
| C08 | C07 | C06 | H16 | 0.6° | 4.3° |
| C07 | C08 | H17 | H18 | 120.0° | 120.0° |
| C07 | C08 | H17 | H19 | 120.0° | 120.2° |
| C07 | C08 | H18 | H19 | 120.0° | 120.6° |
| C13 | C12 | C11 | H21 | 119.9° | 121.5° |
| C13 | C12 | C11 | N10 | 126.0° | 123.8° |
| C12 | C13 | N14 | H1 | 120.0° | 120.5° |
| C12 | C13 | N14 | H2 | 120.0° | 121.5° |
| C13 | C12 | C11 | C17 | 111.4° | 1.6° |
| C12 | C13 | N14 | S15 | 10.6° | 81.9° |
| C12 | C13 | H1 | H2 | 119.9° | 119.0° |
| C13 | C12 | C11 | H20 | 8.7° | 123.3° |
| C12 | C13 | N14 | H22 | 133.2° | 74.2° |
| C12 | C11 | N10 | C17 | 125.4° | 129.9° |
| C12 | C11 | N10 | H20 | 117.3° | 112.5° |
| C12 | C11 | N10 | C09 | 177.3° | 163.7° |
| C11 | C12 | C13 | N14 | 72.4° | 64.9° |
| C12 | C11 | C17 | H20 | 120.6° | 121.9° |
| C12 | C11 | C17 | N16 | 72.7° | 63.2° |
| C11 | C12 | C13 | H1 | 47.6° | 174.4° |
| C11 | C12 | C13 | H2 | 167.5° | 56.5° |
| C12 | C11 | C17 | H3 | 47.3° | 58.3° |
| C12 | C11 | C17 | H4 | 167.2° | 176.1° |
| C11 | N10 | C09 | C07 | 95.0° | 115.7° |
| N10 | C11 | C17 | H20 | 117.8° | 118.1° |
| C11 | N10 | C09 | C02 | 78.4° | 76.6° |
| N10 | C11 | C17 | N16 | 165.7° | 176.8° |
| N10 | C11 | C17 | H3 | 74.3° | 61.8° |
| N10 | C11 | C17 | H4 | 45.7° | 56.1° |
| N10 | C11 | C12 | H21 | 114.0° | 114.7° |
| C11 | N10 | C30 | H31 | 90.0° | 165.5° |
| N10 | C09 | C07 | C02 | 173.3° | 167.5° |
| N10 | C09 | C07 | C06 | 177.1° | 177.5° |
| C09 | N10 | C11 | C17 | 51.9° | 66.4° |
| N10 | C09 | C02 | C01 | 5.0° | 6.4° |
| N10 | C09 | C02 | C03 | 176.7° | 176.0° |
| C09 | N10 | C11 | H20 | 65.4° | 51.2° |
| C09 | N10 | C30 | H31 | 89.7° | 15.9° |
| C13 | N14 | S15 | O18 | 90.1° | 171.3° |
| C13 | N14 | S15 | H22 | 122.6° | 156.7° |
| C13 | N14 | S15 | N16 | 26.3° | 58.0° |
| C13 | N14 | S15 | O19 | 145.3° | 58.9° |
| N14 | C13 | H1 | H2 | 120.0° | 119.0° |
| N14 | C13 | C12 | H21 | 48.0° | 56.7° |
| C09 | C07 | C06 | C04 | 2.1° | 7.0° |
| C07 | C09 | C02 | C01 | 178.3° | 174.4° |
| C07 | C09 | C02 | C03 | 3.4° | 8.0° |
| C09 | C07 | C06 | H16 | 177.8° | 174.7° |
| C09 | C07 | C08 | H17 | 89.2° | 157.1° |
| C09 | C07 | C08 | H18 | 150.8° | 37.8° |
| C09 | C07 | C08 | H19 | 30.8° | 83.2° |
| C06 | C07 | C09 | C02 | 3.8° | 10.0° |
| C07 | C06 | C04 | H16 | 180.0° | 178.3° |
| C07 | C06 | C04 | C03 | 0.0° | 1.8° |
| C07 | C06 | C04 | C05 | 179.9° | 177.8° |
| C06 | C07 | C08 | H17 | 89.2° | 12.8° |
| C06 | C07 | C08 | H18 | 30.8° | 132.1° |
| C06 | C07 | C08 | H19 | 150.7° | 107.0° |
| C11 | C17 | N16 | H3 | 120.0° | 121.4° |
| C11 | C17 | N16 | H4 | 120.1° | 120.5° |
| C11 | C17 | N16 | S15 | 38.0° | 83.1° |
| C11 | C17 | H3 | H4 | 119.9° | 118.5° |
| C17 | C11 | C12 | H21 | 8.5° | 119.9° |
| C11 | C17 | N16 | H23 | 160.4° | 122.3° |
| C09 | C02 | C01 | C03 | 178.4° | 177.6° |
| C09 | C02 | C03 | C04 | 1.3° | 2.8° |
| C09 | C02 | C01 | H9 | 90.9° | 161.6° |
| C09 | C02 | C01 | H10 | 149.1° | 42.1° |
| C09 | C02 | C01 | H11 | 29.1° | 78.1° |
| C09 | C02 | C03 | H12 | 178.7° | 177.0° |
| O18 | S15 | N14 | N16 | 116.4° | 113.3° |
| O18 | S15 | N14 | O19 | 124.5° | 129.8° |
| O18 | S15 | N16 | C17 | 84.0° | 172.6° |
| O18 | S15 | N16 | O19 | 123.9° | 129.4° |
| O18 | S15 | N14 | H22 | 147.3° | 14.6° |
| O18 | S15 | N16 | H23 | 38.4° | 32.2° |
| N14 | S15 | N16 | C17 | 32.4° | 59.0° |
| N14 | S15 | N16 | O19 | 119.7° | 117.1° |
| S15 | N14 | C13 | H1 | 109.4° | 157.5° |
| S15 | N14 | C13 | H2 | 130.6° | 39.5° |
| N14 | S15 | N16 | H23 | 154.8° | 145.7° |
| C17 | N16 | S15 | H23 | 122.4° | 155.3° |
| C17 | N16 | S15 | O19 | 152.1° | 58.0° |
| N16 | C17 | H3 | H4 | 119.8° | 119.0° |
| N16 | C17 | C11 | H20 | 47.9° | 58.8° |
| C06 | C04 | C03 | C02 | 0.4° | 0.4° |
| C06 | C04 | C03 | C05 | 179.9° | 179.6° |
| C06 | C04 | C03 | H12 | 179.6° | 179.8° |
| C06 | C04 | C05 | H13 | 89.9° | 150.0° |
| C06 | C04 | C05 | H14 | 150.0° | 30.0° |
| C06 | C04 | C05 | H15 | 30.1° | 90.1° |
| C01 | C02 | C03 | C04 | 179.7° | 179.5° |
| C02 | C01 | H9 | H10 | 120.0° | 120.1° |
| C02 | C01 | H9 | H11 | 120.0° | 120.5° |
| C02 | C01 | H10 | H11 | 120.0° | 120.2° |
| C01 | C02 | C03 | H12 | 0.3° | 0.7° |
| C02 | C03 | C04 | H12 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 179.5° | 180.0° |
| C03 | C02 | C01 | H9 | 90.8° | 20.8° |
| C03 | C02 | C01 | H10 | 29.2° | 140.3° |
| C03 | C02 | C01 | H11 | 149.2° | 99.5° |
| S15 | N16 | C17 | H3 | 82.1° | 38.4° |
| S15 | N16 | C17 | H4 | 158.0° | 156.4° |
| N16 | S15 | N14 | H22 | 96.3° | 98.7° |
| O19 | S15 | N14 | H22 | 22.7° | 144.4° |
| O19 | S15 | N16 | H23 | 85.4° | 97.2° |
| C03 | C04 | C05 | H13 | 90.0° | 30.4° |
| C03 | C04 | C05 | H14 | 30.1° | 150.4° |
| C03 | C04 | C05 | H15 | 150.0° | 89.5° |
| C03 | C04 | C06 | H16 | 180.0° | 179.9° |
| C05 | C04 | C03 | H12 | 0.5° | 0.2° |
| C04 | C05 | H13 | H14 | 120.0° | 120.4° |
| C04 | C05 | H13 | H15 | 120.0° | 120.1° |
| C04 | C05 | H14 | H15 | 120.0° | 120.2° |
| C05 | C04 | C06 | H16 | 0.1° | 0.5° |
| H1 | C13 | C12 | H21 | 168.0° | 64.0° |
| H1 | C13 | N14 | H22 | 13.2° | 46.4° |
| H2 | C13 | C12 | H21 | 72.1° | 178.2° |
| H2 | C13 | N14 | H22 | 106.8° | 164.3° |
| H3 | C17 | C11 | H20 | 167.9° | 179.8° |
| H3 | C17 | N16 | H23 | 40.3° | 116.3° |
| H4 | C17 | C11 | H20 | 72.2° | 62.0° |
| H4 | C17 | N16 | H23 | 79.6° | 1.8° |
| H6 | C26 | H7 | H8 | 120.0° | 119.5° |
| H9 | C01 | H10 | H11 | 119.9° | 119.3° |
| H13 | C05 | H14 | H15 | 120.0° | 119.4° |
| H17 | C08 | H18 | H19 | 120.0° | 118.9° |
| H20 | C11 | C12 | H21 | 128.7° | 1.9° |
| H24 | C23 | H25 | H26 | 120.0° | 119.8° |
| H28 | C29 | H29 | H30 | 120.0° | 119.3° |
