A1IBZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL20 | C19 | sing | 1.74Å | 1.74Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C19 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| CL18 | C17 | sing | 1.74Å | 1.73Å | |
| O33 | C24 | doub | 1.21Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.34Å | |
| C2 | O34 | doub | 1.21Å | 1.23Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| N3 | C4 | sing | 1.47Å | 1.46Å | |
| C29 | C27 | sing | 1.53Å | 1.52Å | |
| C22 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C4 | sing | 1.51Å | 1.53Å | |
| C24 | N25 | sing | 1.35Å | 1.34Å | |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C15 | S14 | sing | 1.76Å | 1.78Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C27 | O28 | sing | 1.43Å | 1.43Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C26 | N25 | sing | 1.47Å | 1.45Å | |
| C26 | C30 | sing | 1.51Å | 1.53Å | |
| C8 | N9 | sing | 1.47Å | 1.46Å | |
| N9 | C10 | sing | 1.35Å | 1.33Å | |
| S14 | C12 | sing | 1.81Å | 1.82Å | |
| N31 | C30 | sing | 1.35Å | 1.32Å | |
| C30 | O32 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | O23 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| N25 | H27 | sing | 0.97Å | 1.00Å | |
| N3 | H28 | sing | 0.97Å | 1.00Å | |
| N31 | H29 | sing | 0.97Å | 1.00Å | |
| N31 | H30 | sing | 0.97Å | 1.00Å | |
| N9 | H31 | sing | 0.97Å | 1.00Å | |
| O28 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL20 | C19 | C21 | 119.0° | 119.9° |
| CL20 | C19 | C17 | 121.1° | 120.0° |
| C1 | C2 | N3 | 115.9° | 119.9° |
| C1 | C2 | O34 | 122.0° | 120.0° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| C2 | C1 | H6 | 109.5° | 109.4° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C21 | C19 | C17 | 119.8° | 120.1° |
| C19 | C21 | C22 | 120.0° | 120.1° |
| C19 | C21 | H13 | 120.0° | 120.0° |
| C19 | C17 | CL18 | 121.2° | 120.0° |
| C19 | C17 | C16 | 120.3° | 120.1° |
| C21 | C22 | C15 | 120.2° | 119.9° |
| C22 | C21 | H13 | 120.0° | 120.0° |
| C21 | C22 | H14 | 119.9° | 120.0° |
| CL18 | C17 | C16 | 118.5° | 120.0° |
| O33 | C24 | C4 | 120.4° | 120.0° |
| O33 | C24 | N25 | 123.1° | 120.0° |
| N3 | C2 | O34 | 122.1° | 120.0° |
| C2 | N3 | C4 | 122.6° | 120.0° |
| C2 | N3 | H28 | 118.7° | 120.1° |
| C17 | C16 | C15 | 120.0° | 119.9° |
| C17 | C16 | H21 | 120.0° | 120.0° |
| N3 | C4 | C24 | 112.1° | 109.5° |
| N3 | C4 | C5 | 110.3° | 109.4° |
| N3 | C4 | H12 | 109.3° | 109.5° |
| C4 | N3 | H28 | 118.7° | 120.0° |
| C29 | C27 | C26 | 112.9° | 109.5° |
| C29 | C27 | O28 | 110.2° | 109.5° |
| C29 | C27 | H23 | 107.9° | 109.5° |
| C27 | C29 | H24 | 109.5° | 109.5° |
| C27 | C29 | H25 | 109.5° | 109.5° |
| C27 | C29 | H26 | 109.4° | 109.5° |
| C22 | C15 | C16 | 119.7° | 119.9° |
| C22 | C15 | S14 | 120.3° | 120.0° |
| C15 | C22 | H14 | 119.9° | 120.1° |
| C4 | C24 | N25 | 116.5° | 120.0° |
| C24 | C4 | C5 | 108.3° | 109.5° |
| C24 | C4 | H12 | 108.4° | 109.5° |
| C24 | N25 | C26 | 122.1° | 120.0° |
| C24 | N25 | H27 | 118.9° | 120.0° |
| C16 | C15 | S14 | 120.0° | 120.0° |
| C15 | C16 | H21 | 120.0° | 120.1° |
| C4 | C5 | C6 | 114.1° | 109.5° |
| C4 | C5 | H8 | 108.3° | 109.5° |
| C4 | C5 | H9 | 108.3° | 109.5° |
| C5 | C4 | H12 | 108.4° | 109.5° |
| C15 | S14 | C12 | 106.6° | 103.0° |
| C5 | C6 | C7 | 113.2° | 109.5° |
| C6 | C5 | H8 | 108.3° | 109.5° |
| C6 | C5 | H9 | 108.3° | 109.5° |
| C5 | C6 | H10 | 108.5° | 109.5° |
| C5 | C6 | H11 | 108.5° | 109.5° |
| C26 | C27 | O28 | 109.0° | 109.5° |
| C27 | C26 | N25 | 112.7° | 109.4° |
| C27 | C26 | C30 | 110.2° | 109.5° |
| C27 | C26 | H22 | 107.5° | 109.5° |
| C26 | C27 | H23 | 107.6° | 109.5° |
| O28 | C27 | H23 | 109.1° | 109.4° |
| C27 | O28 | H32 | 109.5° | 114.0° |
| C6 | C7 | C8 | 114.1° | 109.4° |
| C6 | C7 | H1 | 108.3° | 109.5° |
| C6 | C7 | H2 | 108.3° | 109.4° |
| C7 | C6 | H10 | 108.5° | 109.5° |
| C7 | C6 | H11 | 108.5° | 109.5° |
| C7 | C8 | N9 | 111.4° | 109.4° |
| C8 | C7 | H1 | 108.3° | 109.5° |
| C8 | C7 | H2 | 108.3° | 109.5° |
| C7 | C8 | H3 | 108.9° | 109.5° |
| C7 | C8 | H4 | 109.0° | 109.5° |
| N25 | C26 | C30 | 110.1° | 109.5° |
| N25 | C26 | H22 | 108.5° | 109.4° |
| C26 | N25 | H27 | 119.0° | 120.0° |
| C26 | C30 | N31 | 117.0° | 120.0° |
| C26 | C30 | O32 | 119.8° | 120.1° |
| C30 | C26 | H22 | 107.6° | 109.5° |
| C8 | N9 | C10 | 123.0° | 120.0° |
| N9 | C8 | H3 | 109.0° | 109.5° |
| N9 | C8 | H4 | 109.0° | 109.4° |
| C8 | N9 | H31 | 118.5° | 120.0° |
| N9 | C10 | C11 | 115.3° | 120.0° |
| N9 | C10 | O23 | 123.0° | 120.0° |
| C10 | N9 | H31 | 118.5° | 120.0° |
| S14 | C12 | C11 | 109.9° | 109.5° |
| S14 | C12 | C13 | 109.9° | 109.4° |
| S14 | C12 | H15 | 106.2° | 109.5° |
| N31 | C30 | O32 | 123.2° | 120.0° |
| C30 | N31 | H29 | 120.0° | 120.0° |
| C30 | N31 | H30 | 120.0° | 120.0° |
| C11 | C10 | O23 | 121.8° | 120.0° |
| C10 | C11 | C12 | 113.9° | 109.5° |
| C10 | C11 | H16 | 108.3° | 109.5° |
| C10 | C11 | H17 | 108.3° | 109.5° |
| C11 | C12 | C13 | 111.7° | 109.4° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C12 | C11 | H16 | 108.4° | 109.5° |
| C12 | C11 | H17 | 108.4° | 109.5° |
| C13 | C12 | H15 | 109.5° | 109.5° |
| C12 | C13 | H18 | 109.5° | 109.5° |
| C12 | C13 | H19 | 109.5° | 109.5° |
| C12 | C13 | H20 | 109.5° | 109.4° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.4° |
| H5 | C1 | H7 | 109.4° | 109.6° |
| H6 | C1 | H7 | 109.4° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.4° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H18 | C13 | H20 | 109.4° | 109.4° |
| H19 | C13 | H20 | 109.5° | 109.4° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H24 | C29 | H26 | 109.5° | 109.4° |
| H25 | C29 | H26 | 109.5° | 109.4° |
| H29 | N31 | H30 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL20 | C19 | C21 | C17 | 178.9° | 180.0° |
| CL20 | C19 | C21 | C22 | 179.0° | 180.0° |
| CL20 | C19 | C17 | CL18 | 1.3° | 0.1° |
| CL20 | C19 | C17 | C16 | 178.9° | 180.0° |
| CL20 | C19 | C21 | H13 | 1.0° | 0.4° |
| C1 | C2 | N3 | O34 | 179.9° | 180.0° |
| C1 | C2 | N3 | C4 | 179.4° | 180.0° |
| C2 | C1 | H5 | H6 | 120.0° | 119.9° |
| C2 | C1 | H5 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C1 | C2 | N3 | H28 | 0.7° | 0.0° |
| C19 | C21 | C22 | H13 | 180.0° | 179.6° |
| C21 | C19 | C17 | CL18 | 179.8° | 180.0° |
| C21 | C19 | C17 | C16 | 0.0° | 0.0° |
| C19 | C21 | C22 | C15 | 0.1° | 0.4° |
| C19 | C21 | C22 | H14 | 180.0° | 179.7° |
| C17 | C19 | C21 | C22 | 0.0° | 0.1° |
| C19 | C17 | CL18 | C16 | 179.8° | 179.9° |
| C19 | C17 | C16 | C15 | 0.0° | 0.3° |
| C17 | C19 | C21 | H13 | 180.0° | 179.7° |
| C19 | C17 | C16 | H21 | 180.0° | 179.9° |
| C21 | C22 | C15 | H14 | 180.0° | 180.0° |
| C21 | C22 | C15 | C16 | 0.1° | 0.6° |
| C21 | C22 | C15 | S14 | 177.3° | 180.0° |
| CL18 | C17 | C16 | C15 | 179.8° | 179.8° |
| CL18 | C17 | C16 | H21 | 0.2° | 0.0° |
| O33 | C24 | C4 | N3 | 38.8° | 20.0° |
| O33 | C24 | C4 | N25 | 179.5° | 180.0° |
| O33 | C24 | C4 | C5 | 83.1° | 100.0° |
| O33 | C24 | N25 | C26 | 3.4° | 0.0° |
| O33 | C24 | C4 | H12 | 159.5° | 140.0° |
| O33 | C24 | N25 | H27 | 176.5° | 180.0° |
| C2 | N3 | C4 | H28 | 180.0° | 180.0° |
| C2 | N3 | C4 | C24 | 88.0° | 60.0° |
| C2 | N3 | C4 | C5 | 151.4° | 60.0° |
| N3 | C2 | C1 | H5 | 179.9° | 60.1° |
| N3 | C2 | C1 | H6 | 59.9° | 179.9° |
| N3 | C2 | C1 | H7 | 60.1° | 60.1° |
| C2 | N3 | C4 | H12 | 32.3° | 180.0° |
| O34 | C2 | N3 | C4 | 0.7° | 0.0° |
| O34 | C2 | C1 | H5 | 0.0° | 119.9° |
| O34 | C2 | C1 | H6 | 120.0° | 0.0° |
| O34 | C2 | C1 | H7 | 120.0° | 120.0° |
| O34 | C2 | N3 | H28 | 179.3° | 180.0° |
| C17 | C16 | C15 | C22 | 0.0° | 0.6° |
| C17 | C16 | C15 | H21 | 180.0° | 179.8° |
| C17 | C16 | C15 | S14 | 177.4° | 180.0° |
| N3 | C4 | C24 | C5 | 121.8° | 120.0° |
| N3 | C4 | C24 | H12 | 120.8° | 120.0° |
| N3 | C4 | C24 | N25 | 141.8° | 160.0° |
| N3 | C4 | C5 | H12 | 119.7° | 120.0° |
| N3 | C4 | C5 | C6 | 58.6° | 65.0° |
| N3 | C4 | C5 | H8 | 62.1° | 175.0° |
| N3 | C4 | C5 | H9 | 179.3° | 55.0° |
| C29 | C27 | C26 | O28 | 122.8° | 120.0° |
| C29 | C27 | C26 | H23 | 119.0° | 120.1° |
| C29 | C27 | O28 | H23 | 118.3° | 120.0° |
| C29 | C27 | C26 | N25 | 56.4° | 55.0° |
| C29 | C27 | C26 | C30 | 179.8° | 175.0° |
| C29 | C27 | C26 | H22 | 63.2° | 65.0° |
| C27 | C29 | H24 | H25 | 120.0° | 120.1° |
| C27 | C29 | H24 | H26 | 120.0° | 120.0° |
| C27 | C29 | H25 | H26 | 120.0° | 120.0° |
| C29 | C27 | O28 | H32 | 147.3° | 60.0° |
| C22 | C15 | C16 | S14 | 177.4° | 179.4° |
| C22 | C15 | S14 | C12 | 106.6° | 173.5° |
| C15 | C22 | C21 | H13 | 179.9° | 180.0° |
| C22 | C15 | C16 | H21 | 179.9° | 179.7° |
| C24 | C4 | C5 | H12 | 117.4° | 120.0° |
| C24 | C4 | C5 | C6 | 178.4° | 175.0° |
| C4 | C24 | N25 | C26 | 176.0° | 180.0° |
| C24 | C4 | C5 | H8 | 60.9° | 55.0° |
| C24 | C4 | C5 | H9 | 57.7° | 65.0° |
| C4 | C24 | N25 | H27 | 4.0° | 0.1° |
| C24 | C4 | N3 | H28 | 92.0° | 120.0° |
| N25 | C24 | C4 | C5 | 96.4° | 80.0° |
| C24 | N25 | C26 | C27 | 96.9° | 155.0° |
| C24 | N25 | C26 | H27 | 180.0° | 179.9° |
| C24 | N25 | C26 | C30 | 139.6° | 85.0° |
| N25 | C24 | C4 | H12 | 21.0° | 40.0° |
| C24 | N25 | C26 | H22 | 22.0° | 35.1° |
| C16 | C15 | S14 | C12 | 76.0° | 5.9° |
| C16 | C15 | C22 | H14 | 180.0° | 179.4° |
| C4 | C5 | C6 | H8 | 120.7° | 120.0° |
| C4 | C5 | C6 | H9 | 120.7° | 120.1° |
| C4 | C5 | C6 | C7 | 167.4° | 180.0° |
| C4 | C5 | H8 | H9 | 117.9° | 120.0° |
| C4 | C5 | C6 | H10 | 72.1° | 60.0° |
| C4 | C5 | C6 | H11 | 46.8° | 60.0° |
| C5 | C4 | N3 | H28 | 28.7° | 120.0° |
| C15 | S14 | C12 | C11 | 55.2° | 169.7° |
| C15 | S14 | C12 | C13 | 68.1° | 70.3° |
| S14 | C15 | C22 | H14 | 2.6° | 0.0° |
| C15 | S14 | C12 | H15 | 173.5° | 49.7° |
| S14 | C15 | C16 | H21 | 2.7° | 0.2° |
| C5 | C6 | C7 | H10 | 120.6° | 120.1° |
| C5 | C6 | C7 | H11 | 120.6° | 120.0° |
| C5 | C6 | C7 | C8 | 47.3° | 180.0° |
| C5 | C6 | C7 | H1 | 168.0° | 60.0° |
| C5 | C6 | C7 | H2 | 73.4° | 60.0° |
| C6 | C5 | H8 | H9 | 117.9° | 120.0° |
| C5 | C6 | H10 | H11 | 118.3° | 120.0° |
| C6 | C5 | C4 | H12 | 61.0° | 55.0° |
| C26 | C27 | O28 | H23 | 117.3° | 119.9° |
| C27 | C26 | N25 | C30 | 123.5° | 120.1° |
| C27 | C26 | N25 | H22 | 118.9° | 119.9° |
| C27 | C26 | C30 | H22 | 116.9° | 120.0° |
| C27 | C26 | C30 | N31 | 96.4° | 60.0° |
| C27 | C26 | C30 | O32 | 83.2° | 120.0° |
| C26 | C27 | C29 | H24 | 180.0° | 180.0° |
| C26 | C27 | C29 | H25 | 60.0° | 60.0° |
| C26 | C27 | C29 | H26 | 60.0° | 60.0° |
| C27 | C26 | N25 | H27 | 83.0° | 25.1° |
| C26 | C27 | O28 | H32 | 22.9° | 180.0° |
| O28 | C27 | C26 | N25 | 66.4° | 65.1° |
| O28 | C27 | C26 | C30 | 57.0° | 54.9° |
| O28 | C27 | C26 | H22 | 174.0° | 175.0° |
| O28 | C27 | C29 | H24 | 57.9° | 59.9° |
| O28 | C27 | C29 | H25 | 177.8° | 180.0° |
| O28 | C27 | C29 | H26 | 62.2° | 60.0° |
| C6 | C7 | C8 | H1 | 120.7° | 120.0° |
| C6 | C7 | C8 | H2 | 120.7° | 119.9° |
| C6 | C7 | C8 | N9 | 168.5° | 180.0° |
| C6 | C7 | H1 | H2 | 117.9° | 120.0° |
| C6 | C7 | C8 | H3 | 71.2° | 60.1° |
| C6 | C7 | C8 | H4 | 48.3° | 60.0° |
| C7 | C6 | C5 | H8 | 46.7° | 60.0° |
| C7 | C6 | C5 | H9 | 71.9° | 60.0° |
| C7 | C6 | H10 | H11 | 118.3° | 120.0° |
| C7 | C8 | N9 | H3 | 120.3° | 120.0° |
| C7 | C8 | N9 | H4 | 120.3° | 120.0° |
| C7 | C8 | N9 | C10 | 161.5° | 180.0° |
| C8 | C7 | H1 | H2 | 117.9° | 120.1° |
| C7 | C8 | H3 | H4 | 119.1° | 120.0° |
| C8 | C7 | C6 | H10 | 73.3° | 59.9° |
| C8 | C7 | C6 | H11 | 167.9° | 60.0° |
| C7 | C8 | N9 | H31 | 18.5° | 0.0° |
| N25 | C26 | C30 | H22 | 118.1° | 120.0° |
| N25 | C26 | C30 | N31 | 138.6° | 180.0° |
| N25 | C26 | C30 | O32 | 41.7° | 0.0° |
| N25 | C26 | C27 | H23 | 175.4° | 175.0° |
| C26 | C30 | N31 | O32 | 179.7° | 180.0° |
| C30 | C26 | C27 | H23 | 61.2° | 65.0° |
| C30 | C26 | N25 | H27 | 40.5° | 95.0° |
| C26 | C30 | N31 | H29 | 179.7° | 0.1° |
| C26 | C30 | N31 | H30 | 0.3° | 180.0° |
| C8 | N9 | C10 | H31 | 180.0° | 180.0° |
| C8 | N9 | C10 | C11 | 177.3° | 180.0° |
| C8 | N9 | C10 | O23 | 1.9° | 0.0° |
| N9 | C8 | C7 | H1 | 47.9° | 60.1° |
| N9 | C8 | C7 | H2 | 70.8° | 60.0° |
| N9 | C8 | H3 | H4 | 119.1° | 120.0° |
| N9 | C10 | C11 | O23 | 179.2° | 180.0° |
| N9 | C10 | C11 | C12 | 143.6° | 180.0° |
| C10 | N9 | C8 | H3 | 78.3° | 60.0° |
| C10 | N9 | C8 | H4 | 41.2° | 60.0° |
| N9 | C10 | C11 | H16 | 95.7° | 60.0° |
| N9 | C10 | C11 | H17 | 22.9° | 60.0° |
| S14 | C12 | C11 | C10 | 62.1° | 65.0° |
| S14 | C12 | C11 | C13 | 122.2° | 119.9° |
| S14 | C12 | C11 | H15 | 116.3° | 120.0° |
| S14 | C12 | C13 | H15 | 116.3° | 120.0° |
| S14 | C12 | C11 | H16 | 177.2° | 175.0° |
| S14 | C12 | C11 | H17 | 58.5° | 54.9° |
| S14 | C12 | C13 | H18 | 180.0° | 65.2° |
| S14 | C12 | C13 | H19 | 60.0° | 54.9° |
| S14 | C12 | C13 | H20 | 60.0° | 174.8° |
| N31 | C30 | C26 | H22 | 20.5° | 60.1° |
| C30 | N31 | H29 | H30 | 180.0° | 180.0° |
| O32 | C30 | C26 | H22 | 159.8° | 120.0° |
| O32 | C30 | N31 | H29 | 0.0° | 180.0° |
| O32 | C30 | N31 | H30 | 180.0° | 0.0° |
| C10 | C11 | C12 | H16 | 120.7° | 120.0° |
| C10 | C11 | C12 | H17 | 120.6° | 120.0° |
| C10 | C11 | C12 | C13 | 175.6° | 175.0° |
| C10 | C11 | C12 | H15 | 54.2° | 55.0° |
| C10 | C11 | H16 | H17 | 117.9° | 120.0° |
| C11 | C10 | N9 | H31 | 2.6° | 0.0° |
| O23 | C10 | C11 | C12 | 37.2° | 0.0° |
| O23 | C10 | C11 | H16 | 83.5° | 120.0° |
| O23 | C10 | C11 | H17 | 157.8° | 120.0° |
| O23 | C10 | N9 | H31 | 178.1° | 180.0° |
| C11 | C12 | C13 | H15 | 121.4° | 120.0° |
| C12 | C11 | H16 | H17 | 118.0° | 120.0° |
| C11 | C12 | C13 | H18 | 57.7° | 54.8° |
| C11 | C12 | C13 | H19 | 62.3° | 174.9° |
| C11 | C12 | C13 | H20 | 177.7° | 65.2° |
| C13 | C12 | C11 | H16 | 55.0° | 55.0° |
| C13 | C12 | C11 | H17 | 63.7° | 65.0° |
| C12 | C13 | H18 | H19 | 120.0° | 120.1° |
| C12 | C13 | H18 | H20 | 120.0° | 120.0° |
| C12 | C13 | H19 | H20 | 120.0° | 119.9° |
| H1 | C7 | C8 | H3 | 168.1° | 59.9° |
| H1 | C7 | C8 | H4 | 72.4° | 180.0° |
| H1 | C7 | C6 | H10 | 47.4° | 179.9° |
| H1 | C7 | C6 | H11 | 71.4° | 60.0° |
| H2 | C7 | C8 | H3 | 49.5° | 180.0° |
| H2 | C7 | C8 | H4 | 168.9° | 59.9° |
| H2 | C7 | C6 | H10 | 166.1° | 60.0° |
| H2 | C7 | C6 | H11 | 47.2° | 180.0° |
| H3 | C8 | N9 | H31 | 101.8° | 120.0° |
| H4 | C8 | N9 | H31 | 138.8° | 120.0° |
| H5 | C1 | H6 | H7 | 120.0° | 120.1° |
| H8 | C5 | C6 | H10 | 167.3° | 180.0° |
| H8 | C5 | C6 | H11 | 73.9° | 60.0° |
| H8 | C5 | C4 | H12 | 178.3° | 65.0° |
| H9 | C5 | C6 | H10 | 48.6° | 60.1° |
| H9 | C5 | C6 | H11 | 167.5° | 180.0° |
| H9 | C5 | C4 | H12 | 59.7° | 175.0° |
| H12 | C4 | N3 | H28 | 147.7° | 0.0° |
| H13 | C21 | C22 | H14 | 0.0° | 0.1° |
| H15 | C12 | C11 | H16 | 66.5° | 65.0° |
| H15 | C12 | C11 | H17 | 174.8° | 175.0° |
| H15 | C12 | C13 | H18 | 63.7° | 174.8° |
| H15 | C12 | C13 | H19 | 176.3° | 65.1° |
| H15 | C12 | C13 | H20 | 56.3° | 54.8° |
| H18 | C13 | H19 | H20 | 119.9° | 120.0° |
| H22 | C26 | C27 | H23 | 55.8° | 55.1° |
| H22 | C26 | N25 | H27 | 158.1° | 145.0° |
| H23 | C27 | C29 | H24 | 61.1° | 60.0° |
| H23 | C27 | C29 | H25 | 58.9° | 60.1° |
| H23 | C27 | C29 | H26 | 178.8° | 179.9° |
| H23 | C27 | O28 | H32 | 94.4° | 60.0° |
| H24 | C29 | H25 | H26 | 120.0° | 119.9° |
