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 | 1.38Å | 1.40Å | Aromatic |
| C24 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| CL32 | AU31 | sing | 2.36Å | 2.30Å | |
| C28 | C29 | sing | 1.51Å | 1.54Å | |
| C28 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.54Å | |
| C21 | N20 | sing | 1.40Å | 1.47Å | |
| AU31 | C30 | sing | 2.15Å | 2.02Å | |
| N20 | C30 | sing | 1.49Å | 1.45Å | |
| N20 | C12 | sing | 1.47Å | 1.50Å | |
| C30 | N10 | sing | 1.49Å | 1.52Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.50Å | 1.54Å | |
| C12 | C11 | sing | 1.49Å | 1.48Å | |
| N10 | C11 | sing | 1.48Å | 1.48Å | |
| N10 | C09 | sing | 1.40Å | 1.50Å | |
| C13 | N14 | sing | 1.47Å | 1.47Å | |
| C07 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C17 | sing | 1.50Å | 1.55Å | |
| C09 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| O18 | S15 | doub | 1.42Å | 1.47Å | |
| N14 | S15 | sing | 1.66Å | 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 | 1.38Å | 1.39Å | Aromatic |
| S15 | N16 | sing | 1.66Å | 1.73Å | |
| S15 | O19 | doub | 1.42Å | 1.47Å | |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.08Å | 1.08Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.08Å | 1.08Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| N14 | H22 | sing | 0.97Å | 1.00Å | |
| N16 | H23 | sing | 0.97Å | 1.00Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C27 | 120.6° | 119.9° |
| C26 | C25 | C24 | 118.4° | 119.9° |
| C25 | C26 | H6 | 109.5° | 109.4° |
| C25 | C26 | H7 | 109.5° | 109.5° |
| C25 | C26 | H8 | 109.4° | 109.5° |
| C27 | C25 | C24 | 121.0° | 120.2° |
| C25 | C27 | C28 | 119.1° | 120.1° |
| C25 | C27 | H27 | 120.5° | 120.0° |
| C25 | C24 | C22 | 120.8° | 120.1° |
| C25 | C24 | H5 | 119.6° | 120.0° |
| C27 | C28 | C29 | 118.8° | 120.0° |
| C27 | C28 | C21 | 119.8° | 119.9° |
| C28 | C27 | H27 | 120.5° | 120.0° |
| C24 | C22 | C21 | 118.4° | 119.9° |
| C24 | C22 | C23 | 118.9° | 120.0° |
| C22 | C24 | H5 | 119.6° | 119.9° |
| CL32 | AU31 | C30 | 179.4° | 180.0° |
| C29 | C28 | C21 | 121.4° | 120.0° |
| C28 | C29 | H28 | 109.5° | 109.4° |
| C28 | C29 | H29 | 109.5° | 109.5° |
| C28 | C29 | H30 | 109.5° | 109.5° |
| C28 | C21 | C22 | 120.8° | 119.9° |
| C28 | C21 | N20 | 119.3° | 120.1° |
| C21 | C22 | C23 | 122.7° | 120.1° |
| C22 | C21 | N20 | 119.4° | 120.1° |
| C22 | C23 | H24 | 109.5° | 109.5° |
| C22 | C23 | H25 | 109.5° | 109.5° |
| C22 | C23 | H26 | 109.5° | 109.5° |
| C21 | N20 | C30 | 124.0° | 111.0° |
| C21 | N20 | C12 | 127.3° | 111.0° |
| AU31 | C30 | N20 | 123.8° | 109.8° |
| AU31 | C30 | N10 | 128.5° | 109.8° |
| AU31 | C30 | H31 | 90.2° | 109.8° |
| C30 | N20 | C12 | 108.5° | 105.5° |
| N20 | C30 | N10 | 107.7° | 107.8° |
| N20 | C30 | H31 | 90.2° | 109.8° |
| N20 | C12 | C13 | 110.4° | 116.0° |
| N20 | C12 | C11 | 108.1° | 105.0° |
| N20 | C12 | H21 | 108.8° | 105.2° |
| C30 | N10 | C11 | 107.5° | 103.5° |
| C30 | N10 | C09 | 127.6° | 111.0° |
| N10 | C30 | H31 | 90.2° | 109.8° |
| C08 | C07 | C09 | 120.6° | 120.0° |
| C08 | C07 | C06 | 119.6° | 120.0° |
| C07 | C08 | H17 | 109.5° | 109.4° |
| C07 | C08 | H18 | 109.4° | 109.5° |
| C07 | C08 | H19 | 109.5° | 109.5° |
| C13 | C12 | C11 | 112.1° | 117.2° |
| C12 | C13 | N14 | 109.6° | 109.5° |
| C12 | C13 | H1 | 109.4° | 109.4° |
| C12 | C13 | H2 | 109.4° | 109.5° |
| C13 | C12 | H21 | 108.3° | 106.4° |
| C12 | C11 | N10 | 108.0° | 103.5° |
| C12 | C11 | C17 | 114.5° | 116.9° |
| C12 | C11 | H20 | 108.4° | 106.4° |
| C11 | C12 | H21 | 109.1° | 106.0° |
| C11 | N10 | C09 | 124.8° | 111.0° |
| N10 | C11 | C17 | 109.7° | 115.2° |
| N10 | C11 | H20 | 108.5° | 106.9° |
| N10 | C09 | C07 | 119.6° | 120.1° |
| N10 | C09 | C02 | 120.0° | 120.1° |
| C13 | N14 | S15 | 129.7° | 119.3° |
| N14 | C13 | H1 | 109.4° | 109.4° |
| N14 | C13 | H2 | 109.5° | 109.5° |
| C13 | N14 | H22 | 104.2° | 120.3° |
| C09 | C07 | C06 | 119.8° | 120.0° |
| C07 | C09 | C02 | 120.1° | 119.8° |
| C07 | C06 | C04 | 119.5° | 120.1° |
| C07 | C06 | H16 | 120.3° | 120.0° |
| C11 | C17 | N16 | 109.8° | 109.7° |
| C11 | C17 | H3 | 109.4° | 109.4° |
| C11 | C17 | H4 | 109.4° | 109.4° |
| C17 | C11 | H20 | 107.6° | 107.3° |
| C09 | C02 | C01 | 121.6° | 120.1° |
| C09 | C02 | C03 | 119.8° | 119.9° |
| O18 | S15 | N14 | 104.6° | 106.1° |
| O18 | S15 | N16 | 104.6° | 106.2° |
| O18 | S15 | O19 | 117.0° | 122.9° |
| N14 | S15 | N16 | 119.3° | 109.1° |
| N14 | S15 | O19 | 106.6° | 106.1° |
| S15 | N14 | H22 | 104.2° | 120.4° |
| C17 | N16 | S15 | 127.8° | 119.4° |
| N16 | C17 | H3 | 109.4° | 109.4° |
| N16 | C17 | H4 | 109.4° | 109.5° |
| C17 | N16 | H23 | 104.7° | 120.3° |
| C06 | C04 | C03 | 121.2° | 120.1° |
| C06 | C04 | C05 | 120.3° | 119.9° |
| C04 | C06 | H16 | 120.3° | 119.9° |
| C01 | C02 | C03 | 118.5° | 120.0° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.4° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C03 | C04 | 119.5° | 120.1° |
| C02 | C03 | H12 | 120.3° | 120.0° |
| N16 | S15 | O19 | 105.4° | 106.1° |
| S15 | N16 | H23 | 104.7° | 120.4° |
| C03 | C04 | C05 | 118.4° | 120.0° |
| C04 | C03 | H12 | 120.3° | 119.9° |
| C04 | C05 | H13 | 109.5° | 109.5° |
| C04 | C05 | H14 | 109.5° | 109.5° |
| C04 | C05 | H15 | 109.5° | 109.4° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.4° |
| H6 | C26 | H7 | 109.5° | 109.5° |
| H6 | C26 | H8 | 109.5° | 109.4° |
| H7 | C26 | H8 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H11 | 109.4° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H13 | C05 | H14 | 109.5° | 109.5° |
| H13 | C05 | H15 | 109.5° | 109.5° |
| H14 | C05 | H15 | 109.4° | 109.5° |
| H17 | C08 | H18 | 109.4° | 109.5° |
| H17 | C08 | H19 | 109.5° | 109.5° |
| H18 | C08 | H19 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.4° |
| H24 | C23 | H26 | 109.4° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.4° |
| H28 | C29 | H29 | 109.5° | 109.5° |
| H28 | C29 | H30 | 109.4° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C27 | C24 | 179.3° | 179.7° |
| C26 | C25 | C27 | C28 | 179.3° | 180.0° |
| C26 | C25 | C24 | C22 | 179.1° | 180.0° |
| C26 | C25 | C24 | H5 | 0.9° | 0.0° |
| C25 | C26 | H6 | H7 | 120.0° | 120.0° |
| C25 | C26 | H6 | H8 | 120.0° | 120.0° |
| C25 | C26 | H7 | H8 | 120.0° | 120.0° |
| C26 | C25 | C27 | H27 | 0.7° | 0.0° |
| C25 | C27 | C28 | H27 | 180.0° | 180.0° |
| C27 | C25 | C24 | C22 | 0.2° | 0.3° |
| C25 | C27 | C28 | C29 | 179.2° | 180.0° |
| C25 | C27 | C28 | C21 | 2.5° | 0.0° |
| C27 | C25 | C24 | H5 | 179.8° | 179.8° |
| C27 | C25 | C26 | H6 | 89.6° | 90.0° |
| C27 | C25 | C26 | H7 | 150.4° | 150.0° |
| C27 | C25 | C26 | H8 | 30.4° | 30.0° |
| C24 | C25 | C27 | C28 | 0.1° | 0.3° |
| C25 | C24 | C22 | H5 | 180.0° | 180.0° |
| C25 | C24 | C22 | C21 | 2.0° | 0.0° |
| C25 | C24 | C22 | C23 | 179.7° | 180.0° |
| C24 | C25 | C26 | H6 | 89.6° | 90.3° |
| C24 | C25 | C26 | H7 | 30.4° | 29.7° |
| C24 | C25 | C26 | H8 | 150.4° | 149.8° |
| C24 | C25 | C27 | H27 | 180.0° | 179.7° |
| C27 | C28 | C29 | C21 | 178.3° | 179.9° |
| C27 | C28 | C21 | C22 | 4.7° | 0.2° |
| C27 | C28 | C21 | N20 | 176.9° | 180.0° |
| C27 | C28 | C29 | H28 | 90.8° | 85.1° |
| C27 | C28 | C29 | H29 | 149.2° | 34.9° |
| C27 | C28 | C29 | H30 | 29.2° | 154.9° |
| C24 | C22 | C21 | C28 | 4.4° | 0.2° |
| C24 | C22 | C21 | C23 | 177.6° | 180.0° |
| C24 | C22 | C21 | N20 | 176.6° | 180.0° |
| C24 | C22 | C23 | H24 | 88.9° | 85.9° |
| C24 | C22 | C23 | H25 | 151.1° | 34.1° |
| C24 | C22 | C23 | H26 | 31.1° | 154.1° |
| CL32 | AU31 | C30 | N20 | 52.2° | 179.5° |
| CL32 | AU31 | C30 | N10 | 128.6° | 61.1° |
| CL32 | AU31 | C30 | H31 | 38.2° | 59.8° |
| C29 | C28 | C21 | C22 | 177.0° | 179.7° |
| C29 | C28 | C21 | N20 | 4.8° | 0.1° |
| C29 | C28 | C27 | H27 | 0.8° | 0.0° |
| C28 | C29 | H28 | H29 | 120.0° | 120.0° |
| C28 | C29 | H28 | H30 | 120.0° | 120.0° |
| C28 | C29 | H29 | H30 | 120.0° | 120.0° |
| C28 | C21 | C22 | N20 | 172.2° | 179.8° |
| C28 | C21 | C22 | C23 | 178.0° | 179.8° |
| C28 | C21 | N20 | C30 | 89.2° | 120.8° |
| C28 | C21 | N20 | C12 | 85.2° | 122.3° |
| C21 | C28 | C27 | H27 | 177.6° | 179.9° |
| C21 | C28 | C29 | H28 | 90.9° | 95.0° |
| C21 | C28 | C29 | H29 | 29.1° | 145.0° |
| C21 | C28 | C29 | H30 | 149.1° | 25.0° |
| C22 | C21 | N20 | C30 | 83.1° | 59.5° |
| C22 | C21 | N20 | C12 | 102.5° | 57.5° |
| C21 | C22 | C24 | H5 | 178.0° | 180.0° |
| C21 | C22 | C23 | H24 | 88.7° | 94.1° |
| C21 | C22 | C23 | H25 | 31.3° | 145.9° |
| C21 | C22 | C23 | H26 | 151.3° | 25.9° |
| C23 | C22 | C21 | N20 | 5.8° | 0.0° |
| C23 | C22 | C24 | H5 | 0.3° | 0.0° |
| C22 | C23 | H24 | H25 | 120.0° | 120.1° |
| C22 | C23 | H24 | H26 | 120.0° | 120.0° |
| C22 | C23 | H25 | H26 | 120.0° | 120.0° |
| C21 | N20 | C30 | AU31 | 2.4° | 119.4° |
| C21 | N20 | C30 | C12 | 175.4° | 120.3° |
| C21 | N20 | C30 | N10 | 178.2° | 121.0° |
| C21 | N20 | C12 | C13 | 57.5° | 85.2° |
| C21 | N20 | C12 | C11 | 179.5° | 143.6° |
| C21 | N20 | C12 | H21 | 61.2° | 32.1° |
| C21 | N20 | C30 | H31 | 87.9° | 1.4° |
| AU31 | C30 | N20 | N10 | 179.4° | 119.6° |
| AU31 | C30 | N20 | H31 | 90.3° | 120.8° |
| AU31 | C30 | N20 | C12 | 177.8° | 120.3° |
| AU31 | C30 | N10 | H31 | 90.4° | 120.9° |
| AU31 | C30 | N10 | C11 | 179.6° | 97.2° |
| AU31 | C30 | N10 | C09 | 0.7° | 21.9° |
| N20 | C30 | N10 | H31 | 90.3° | 119.5° |
| C30 | N20 | C12 | C13 | 127.3° | 154.5° |
| C30 | N20 | C12 | C11 | 4.3° | 23.4° |
| N20 | C30 | N10 | C11 | 0.3° | 22.4° |
| N20 | C30 | N10 | C09 | 180.0° | 141.4° |
| C30 | N20 | C12 | H21 | 114.0° | 88.2° |
| C12 | N20 | C30 | N10 | 2.8° | 0.7° |
| N20 | C12 | C13 | C11 | 120.6° | 125.1° |
| N20 | C12 | C13 | H21 | 119.0° | 116.6° |
| N20 | C12 | C11 | H21 | 118.1° | 111.0° |
| N20 | C12 | C11 | N10 | 4.1° | 37.6° |
| N20 | C12 | C13 | N14 | 167.0° | 159.2° |
| N20 | C12 | C11 | C17 | 126.7° | 165.4° |
| N20 | C12 | C13 | H1 | 73.0° | 80.8° |
| N20 | C12 | C13 | H2 | 47.0° | 39.1° |
| N20 | C12 | C11 | H20 | 113.2° | 74.8° |
| C12 | N20 | C30 | H31 | 87.5° | 118.9° |
| C30 | N10 | C11 | C12 | 2.4° | 36.3° |
| C30 | N10 | C11 | C09 | 179.7° | 119.1° |
| C30 | N10 | C09 | C07 | 84.7° | 76.4° |
| C30 | N10 | C11 | C17 | 127.8° | 165.2° |
| C30 | N10 | C09 | C02 | 102.0° | 103.2° |
| C30 | N10 | C11 | H20 | 114.9° | 75.8° |
| C08 | C07 | C09 | N10 | 4.4° | 0.5° |
| C08 | C07 | C09 | C06 | 178.4° | 179.4° |
| C08 | C07 | C09 | C02 | 177.7° | 179.9° |
| C08 | C07 | C06 | C04 | 179.4° | 179.7° |
| C08 | C07 | C06 | H16 | 0.6° | 0.5° |
| C07 | C08 | H17 | H18 | 120.0° | 120.0° |
| C07 | C08 | H17 | H19 | 120.0° | 120.0° |
| C07 | C08 | H18 | H19 | 120.0° | 120.0° |
| C13 | C12 | C11 | H21 | 119.9° | 118.6° |
| C13 | C12 | C11 | N10 | 126.0° | 168.0° |
| C12 | C13 | N14 | H1 | 120.0° | 120.0° |
| C12 | C13 | N14 | H2 | 120.0° | 120.0° |
| C13 | C12 | C11 | C17 | 111.4° | 64.2° |
| C12 | C13 | N14 | S15 | 10.6° | 85.5° |
| C12 | C13 | H1 | H2 | 119.9° | 120.0° |
| C13 | C12 | C11 | H20 | 8.7° | 55.6° |
| C12 | C13 | N14 | H22 | 133.2° | 94.5° |
| C12 | C11 | N10 | C17 | 125.4° | 128.9° |
| C12 | C11 | N10 | H20 | 117.3° | 112.1° |
| C12 | C11 | N10 | C09 | 177.3° | 155.4° |
| C11 | C12 | C13 | N14 | 72.4° | 75.7° |
| C12 | C11 | C17 | H20 | 120.6° | 119.3° |
| C12 | C11 | C17 | N16 | 72.7° | 75.4° |
| C11 | C12 | C13 | H1 | 47.6° | 44.3° |
| C11 | C12 | C13 | H2 | 167.5° | 164.3° |
| C12 | C11 | C17 | H3 | 47.3° | 44.7° |
| C12 | C11 | C17 | H4 | 167.2° | 164.5° |
| C11 | N10 | C09 | C07 | 95.0° | 169.2° |
| N10 | C11 | C17 | H20 | 117.8° | 118.8° |
| C11 | N10 | C09 | C02 | 78.4° | 11.3° |
| N10 | C11 | C17 | N16 | 165.7° | 162.8° |
| N10 | C11 | C17 | H3 | 74.3° | 77.2° |
| N10 | C11 | C17 | H4 | 45.7° | 42.6° |
| N10 | C11 | C12 | H21 | 114.0° | 73.5° |
| C11 | N10 | C30 | H31 | 90.0° | 141.9° |
| N10 | C09 | C07 | C02 | 173.3° | 179.5° |
| N10 | C09 | C07 | C06 | 177.1° | 179.9° |
| C09 | N10 | C11 | C17 | 51.9° | 75.7° |
| N10 | C09 | C02 | C01 | 5.0° | 0.2° |
| N10 | C09 | C02 | C03 | 176.7° | 180.0° |
| C09 | N10 | C11 | H20 | 65.4° | 43.3° |
| C09 | N10 | C30 | H31 | 89.7° | 99.0° |
| C13 | N14 | S15 | O18 | 90.1° | 153.9° |
| C13 | N14 | S15 | H22 | 122.6° | 180.0° |
| C13 | N14 | S15 | N16 | 26.3° | 39.9° |
| C13 | N14 | S15 | O19 | 145.3° | 74.0° |
| N14 | C13 | H1 | H2 | 120.0° | 120.0° |
| N14 | C13 | C12 | H21 | 48.0° | 42.6° |
| C09 | C07 | C06 | C04 | 2.1° | 0.4° |
| C07 | C09 | C02 | C01 | 178.3° | 179.7° |
| C07 | C09 | C02 | C03 | 3.4° | 0.5° |
| C09 | C07 | C06 | H16 | 177.8° | 179.8° |
| C09 | C07 | C08 | H17 | 89.2° | 90.0° |
| C09 | C07 | C08 | H18 | 150.8° | 150.0° |
| C09 | C07 | C08 | H19 | 30.8° | 29.9° |
| C06 | C07 | C09 | C02 | 3.8° | 0.6° |
| C07 | C06 | C04 | H16 | 180.0° | 179.8° |
| C07 | C06 | C04 | C03 | 0.0° | 0.1° |
| C07 | C06 | C04 | C05 | 179.9° | 180.0° |
| C06 | C07 | C08 | H17 | 89.2° | 90.6° |
| C06 | C07 | C08 | H18 | 30.8° | 29.4° |
| C06 | C07 | C08 | H19 | 150.7° | 149.4° |
| C11 | C17 | N16 | H3 | 120.0° | 120.0° |
| C11 | C17 | N16 | H4 | 120.1° | 120.1° |
| C11 | C17 | N16 | S15 | 38.0° | 85.5° |
| C11 | C17 | H3 | H4 | 119.9° | 119.8° |
| C17 | C11 | C12 | H21 | 8.5° | 54.4° |
| C11 | C17 | N16 | H23 | 160.4° | 94.5° |
| C09 | C02 | C01 | C03 | 178.4° | 179.8° |
| C09 | C02 | C03 | C04 | 1.3° | 0.2° |
| C09 | C02 | C01 | H9 | 90.9° | 71.2° |
| C09 | C02 | C01 | H10 | 149.1° | 48.8° |
| C09 | C02 | C01 | H11 | 29.1° | 168.8° |
| C09 | C02 | C03 | H12 | 178.7° | 179.7° |
| O18 | S15 | N14 | N16 | 116.4° | 114.0° |
| O18 | S15 | N14 | O19 | 124.5° | 132.1° |
| O18 | S15 | N16 | C17 | 84.0° | 73.9° |
| O18 | S15 | N16 | O19 | 123.9° | 132.2° |
| O18 | S15 | N14 | H22 | 147.3° | 26.1° |
| O18 | S15 | N16 | H23 | 38.4° | 106.1° |
| N14 | S15 | N16 | C17 | 32.4° | 40.0° |
| N14 | S15 | N16 | O19 | 119.7° | 113.9° |
| S15 | N14 | C13 | H1 | 109.4° | 34.5° |
| S15 | N14 | C13 | H2 | 130.6° | 154.5° |
| N14 | S15 | N16 | H23 | 154.8° | 140.0° |
| C17 | N16 | S15 | H23 | 122.4° | 180.0° |
| C17 | N16 | S15 | O19 | 152.1° | 153.9° |
| N16 | C17 | H3 | H4 | 119.8° | 120.0° |
| N16 | C17 | C11 | H20 | 47.9° | 43.9° |
| C06 | C04 | C03 | C02 | 0.4° | 0.0° |
| C06 | C04 | C03 | C05 | 179.9° | 179.9° |
| C06 | C04 | C03 | H12 | 179.6° | 179.9° |
| C06 | C04 | C05 | H13 | 89.9° | 89.9° |
| C06 | C04 | C05 | H14 | 150.0° | 30.1° |
| C06 | C04 | C05 | H15 | 30.1° | 150.1° |
| C01 | C02 | C03 | C04 | 179.7° | 180.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C01 | C02 | C03 | H12 | 0.3° | 0.0° |
| C02 | C03 | C04 | H12 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 179.5° | 179.9° |
| C03 | C02 | C01 | H9 | 90.8° | 109.0° |
| C03 | C02 | C01 | H10 | 29.2° | 130.9° |
| C03 | C02 | C01 | H11 | 149.2° | 11.0° |
| S15 | N16 | C17 | H3 | 82.1° | 34.5° |
| S15 | N16 | C17 | H4 | 158.0° | 154.4° |
| N16 | S15 | N14 | H22 | 96.3° | 140.1° |
| O19 | S15 | N14 | H22 | 22.7° | 106.0° |
| O19 | S15 | N16 | H23 | 85.4° | 26.1° |
| C03 | C04 | C05 | H13 | 90.0° | 90.0° |
| C03 | C04 | C05 | H14 | 30.1° | 150.0° |
| C03 | C04 | C05 | H15 | 150.0° | 30.0° |
| C03 | C04 | C06 | H16 | 180.0° | 179.9° |
| C05 | C04 | C03 | H12 | 0.5° | 0.0° |
| C04 | C05 | H13 | H14 | 120.0° | 120.0° |
| C04 | C05 | H13 | H15 | 120.0° | 120.0° |
| C04 | C05 | H14 | H15 | 120.0° | 120.0° |
| C05 | C04 | C06 | H16 | 0.1° | 0.2° |
| H1 | C13 | C12 | H21 | 168.0° | 162.6° |
| H1 | C13 | N14 | H22 | 13.2° | 145.5° |
| H2 | C13 | C12 | H21 | 72.1° | 77.4° |
| H2 | C13 | N14 | H22 | 106.8° | 25.5° |
| H3 | C17 | C11 | H20 | 167.9° | 164.0° |
| H3 | C17 | N16 | H23 | 40.3° | 145.5° |
| H4 | C17 | C11 | H20 | 72.2° | 76.2° |
| H4 | C17 | N16 | H23 | 79.6° | 25.5° |
| H6 | C26 | H7 | H8 | 120.0° | 120.0° |
| H9 | C01 | H10 | H11 | 119.9° | 120.0° |
| H13 | C05 | H14 | H15 | 120.0° | 120.0° |
| H17 | C08 | H18 | H19 | 120.0° | 120.0° |
| H20 | C11 | C12 | H21 | 128.7° | 174.1° |
| H24 | C23 | H25 | H26 | 120.0° | 119.9° |
| H28 | C29 | H29 | H30 | 120.0° | 120.1° |
