I29
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL5 | C54 | sing | 1.74Å | 1.77Å | |
| C53 | C54 | doub | 1.38Å | 1.40Å | Aromatic |
| C53 | C52 | sing | 1.38Å | 1.40Å | Aromatic |
| C54 | C55 | sing | 1.38Å | 1.40Å | Aromatic |
| C52 | C51 | doub | 1.38Å | 1.40Å | Aromatic |
| CL4 | C44 | sing | 1.74Å | 1.75Å | |
| C55 | C56 | doub | 1.38Å | 1.39Å | Aromatic |
| C44 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 1.40Å | Aromatic |
| C51 | C56 | sing | 1.38Å | 1.40Å | Aromatic |
| C51 | C5 | sing | 1.51Å | 1.53Å | |
| C43 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | C46 | doub | 1.38Å | 1.39Å | Aromatic |
| C57 | C5 | sing | 1.53Å | 1.53Å | |
| O10 | C10 | doub | 1.22Å | 1.25Å | |
| C42 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.54Å | 1.56Å | |
| C5 | N1 | sing | 1.47Å | 1.46Å | |
| C46 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C41 | C4 | sing | 1.51Å | 1.50Å | |
| C10 | N1 | sing | 1.35Å | 1.45Å | |
| C10 | N10 | sing | 1.35Å | 1.41Å | |
| C4 | C47 | sing | 1.53Å | 1.53Å | |
| C4 | N3 | sing | 1.47Å | 1.48Å | |
| N1 | C2 | sing | 1.37Å | 1.42Å | |
| C14 | N10 | sing | 1.47Å | 1.46Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| N10 | C11 | sing | 1.47Å | 1.49Å | |
| C2 | N3 | doub | 1.28Å | 1.28Å | |
| C2 | C21 | sing | 1.51Å | 1.50Å | |
| C13 | N12 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| N12 | C12 | sing | 1.47Å | 1.50Å | |
| N12 | C15 | sing | 1.47Å | 1.48Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | S17 | sing | 1.81Å | 1.78Å | |
| O18 | S17 | doub | 1.42Å | 1.46Å | |
| S17 | O17 | doub | 1.42Å | 1.46Å | |
| S17 | C19 | sing | 1.81Å | 1.78Å | |
| C57 | H1 | sing | 1.09Å | 1.10Å | |
| C57 | H2 | sing | 1.09Å | 1.10Å | |
| C57 | H3 | sing | 1.09Å | 1.10Å | |
| C47 | H4 | sing | 1.09Å | 1.10Å | |
| C47 | H5 | sing | 1.09Å | 1.10Å | |
| C47 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C56 | H13 | sing | 1.08Å | 1.08Å | |
| C55 | H14 | sing | 1.08Å | 1.08Å | |
| C53 | H15 | sing | 1.08Å | 1.08Å | |
| C52 | H16 | sing | 1.08Å | 1.08Å | |
| C42 | H17 | sing | 1.08Å | 1.08Å | |
| C43 | H18 | sing | 1.08Å | 1.08Å | |
| C45 | H19 | sing | 1.08Å | 1.08Å | |
| C46 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å | |
| C15 | H37 | sing | 1.09Å | 1.10Å | |
| C15 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL5 | C54 | C53 | 120.2° | 120.0° |
| CL5 | C54 | C55 | 119.6° | 120.1° |
| C54 | C53 | C52 | 119.7° | 120.0° |
| C53 | C54 | C55 | 120.2° | 119.9° |
| C54 | C53 | H15 | 120.1° | 120.0° |
| C53 | C52 | C51 | 120.2° | 120.0° |
| C52 | C53 | H15 | 120.2° | 120.0° |
| C53 | C52 | H16 | 119.9° | 120.0° |
| C54 | C55 | C56 | 119.8° | 120.0° |
| C54 | C55 | H14 | 120.1° | 120.0° |
| C52 | C51 | C56 | 119.3° | 120.0° |
| C52 | C51 | C5 | 120.8° | 120.0° |
| C51 | C52 | H16 | 119.9° | 120.0° |
| CL4 | C44 | C43 | 119.6° | 120.0° |
| CL4 | C44 | C45 | 119.8° | 120.0° |
| C55 | C56 | C51 | 120.5° | 120.0° |
| C55 | C56 | H13 | 119.7° | 120.0° |
| C56 | C55 | H14 | 120.1° | 120.1° |
| C43 | C44 | C45 | 120.6° | 120.0° |
| C44 | C43 | C42 | 119.6° | 119.9° |
| C44 | C43 | H18 | 120.2° | 120.0° |
| C44 | C45 | C46 | 119.5° | 120.0° |
| C44 | C45 | H19 | 120.3° | 120.0° |
| C56 | C51 | C5 | 119.9° | 120.0° |
| C51 | C56 | H13 | 119.8° | 120.0° |
| C51 | C5 | C57 | 111.6° | 110.7° |
| C51 | C5 | C4 | 111.9° | 110.7° |
| C51 | C5 | N1 | 110.0° | 110.7° |
| C43 | C42 | C41 | 120.1° | 120.0° |
| C43 | C42 | H17 | 120.0° | 119.9° |
| C42 | C43 | H18 | 120.2° | 120.0° |
| C45 | C46 | C41 | 120.3° | 120.0° |
| C46 | C45 | H19 | 120.2° | 120.0° |
| C45 | C46 | H20 | 119.9° | 120.0° |
| C57 | C5 | C4 | 111.4° | 110.6° |
| C57 | C5 | N1 | 112.1° | 110.7° |
| C5 | C57 | H1 | 109.5° | 109.4° |
| C5 | C57 | H2 | 109.5° | 109.4° |
| C5 | C57 | H3 | 109.5° | 109.5° |
| O10 | C10 | N1 | 120.1° | 120.0° |
| O10 | C10 | N10 | 121.1° | 120.0° |
| C42 | C41 | C46 | 120.0° | 120.0° |
| C42 | C41 | C4 | 119.7° | 120.0° |
| C41 | C42 | H17 | 120.0° | 120.0° |
| C4 | C5 | N1 | 99.4° | 103.1° |
| C5 | C4 | C41 | 113.3° | 110.5° |
| C5 | C4 | C47 | 109.6° | 110.6° |
| C5 | C4 | N3 | 104.0° | 103.9° |
| C5 | N1 | C10 | 121.8° | 125.8° |
| C5 | N1 | C2 | 107.6° | 108.2° |
| C46 | C41 | C4 | 120.4° | 120.0° |
| C41 | C46 | H20 | 119.9° | 120.0° |
| C41 | C4 | C47 | 109.8° | 110.5° |
| C41 | C4 | N3 | 110.7° | 110.7° |
| N1 | C10 | N10 | 118.8° | 120.1° |
| C10 | N1 | C2 | 126.9° | 125.9° |
| C10 | N10 | C14 | 119.4° | 120.9° |
| C10 | N10 | C11 | 123.2° | 120.9° |
| C47 | C4 | N3 | 109.3° | 110.6° |
| C4 | C47 | H4 | 109.5° | 109.4° |
| C4 | C47 | H5 | 109.5° | 109.5° |
| C4 | C47 | H6 | 109.5° | 109.5° |
| C4 | N3 | C2 | 109.8° | 110.3° |
| N1 | C2 | N3 | 111.5° | 114.5° |
| N1 | C2 | C21 | 121.9° | 122.8° |
| N10 | C14 | C13 | 109.7° | 108.5° |
| C14 | N10 | C11 | 117.0° | 118.2° |
| N10 | C14 | H21 | 109.4° | 109.6° |
| N10 | C14 | H22 | 109.4° | 109.6° |
| C14 | C13 | N12 | 110.0° | 109.3° |
| C13 | C14 | H21 | 109.4° | 109.6° |
| C13 | C14 | H22 | 109.4° | 109.7° |
| C14 | C13 | H23 | 109.4° | 109.5° |
| C14 | C13 | H24 | 109.4° | 109.5° |
| N10 | C11 | C12 | 111.5° | 108.8° |
| N10 | C11 | H28 | 109.0° | 109.6° |
| N10 | C11 | H29 | 108.9° | 109.7° |
| N3 | C2 | C21 | 126.5° | 122.8° |
| C2 | C21 | H10 | 109.5° | 109.5° |
| C2 | C21 | H11 | 109.4° | 109.5° |
| C2 | C21 | H12 | 109.4° | 109.5° |
| C13 | N12 | C12 | 112.8° | 111.3° |
| C13 | N12 | C15 | 110.1° | 111.0° |
| N12 | C13 | H23 | 109.3° | 109.5° |
| N12 | C13 | H24 | 109.3° | 109.5° |
| C11 | C12 | N12 | 113.4° | 109.4° |
| C11 | C12 | H26 | 108.5° | 109.6° |
| C11 | C12 | H27 | 108.5° | 109.4° |
| C12 | C11 | H28 | 109.0° | 109.5° |
| C12 | C11 | H29 | 109.0° | 109.4° |
| C12 | N12 | C15 | 111.8° | 111.0° |
| N12 | C12 | H26 | 108.5° | 109.5° |
| N12 | C12 | H27 | 108.5° | 109.5° |
| N12 | C15 | C16 | 110.8° | 109.5° |
| N12 | C15 | H37 | 109.1° | 109.4° |
| N12 | C15 | H38 | 109.1° | 109.5° |
| C15 | C16 | C17 | 110.3° | 109.5° |
| C15 | C16 | H30 | 109.3° | 109.5° |
| C15 | C16 | H31 | 109.2° | 109.5° |
| C16 | C15 | H37 | 109.2° | 109.5° |
| C16 | C15 | H38 | 109.1° | 109.5° |
| C16 | C17 | S17 | 111.0° | 109.5° |
| C17 | C16 | H30 | 109.2° | 109.4° |
| C17 | C16 | H31 | 109.3° | 109.5° |
| C16 | C17 | H32 | 109.1° | 109.5° |
| C16 | C17 | H33 | 109.1° | 109.4° |
| C17 | S17 | O18 | 108.6° | 108.6° |
| C17 | S17 | O17 | 108.7° | 108.6° |
| C17 | S17 | C19 | 105.3° | 101.9° |
| S17 | C17 | H32 | 109.1° | 109.5° |
| S17 | C17 | H33 | 109.1° | 109.5° |
| O18 | S17 | O17 | 116.4° | 119.3° |
| O18 | S17 | C19 | 108.6° | 108.6° |
| O17 | S17 | C19 | 108.6° | 108.6° |
| S17 | C19 | H34 | 109.5° | 109.4° |
| S17 | C19 | H35 | 109.5° | 109.5° |
| S17 | C19 | H36 | 109.5° | 109.5° |
| H1 | C57 | H2 | 109.4° | 109.4° |
| H1 | C57 | H3 | 109.5° | 109.5° |
| H2 | C57 | H3 | 109.5° | 109.5° |
| H4 | C47 | H5 | 109.5° | 109.4° |
| H4 | C47 | H6 | 109.5° | 109.5° |
| H5 | C47 | H6 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H10 | C21 | H12 | 109.5° | 109.4° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.8° |
| H23 | C13 | H24 | 109.5° | 109.5° |
| H26 | C12 | H27 | 109.5° | 109.5° |
| H28 | C11 | H29 | 109.4° | 109.8° |
| H30 | C16 | H31 | 109.5° | 109.4° |
| H32 | C17 | H33 | 109.5° | 109.5° |
| H34 | C19 | H35 | 109.4° | 109.5° |
| H34 | C19 | H36 | 109.5° | 109.4° |
| H35 | C19 | H36 | 109.5° | 109.5° |
| H37 | C15 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL5 | C54 | C53 | C55 | 178.5° | 179.9° |
| CL5 | C54 | C53 | C52 | 173.5° | 179.7° |
| CL5 | C54 | C55 | C56 | 173.5° | 180.0° |
| CL5 | C54 | C55 | H14 | 6.5° | 0.1° |
| CL5 | C54 | C53 | H15 | 6.5° | 0.1° |
| C54 | C53 | C52 | H15 | 180.0° | 179.8° |
| C54 | C53 | C52 | C51 | 0.3° | 0.5° |
| C53 | C54 | C55 | C56 | 5.0° | 0.0° |
| C53 | C54 | C55 | H14 | 175.0° | 180.0° |
| C54 | C53 | C52 | H16 | 179.8° | 180.0° |
| C52 | C53 | C54 | C55 | 5.0° | 0.2° |
| C53 | C52 | C51 | H16 | 180.0° | 179.5° |
| C53 | C52 | C51 | C56 | 4.4° | 0.5° |
| C53 | C52 | C51 | C5 | 174.6° | 179.8° |
| C54 | C55 | C56 | H14 | 180.0° | 179.9° |
| C54 | C55 | C56 | C51 | 0.3° | 0.0° |
| C54 | C55 | C56 | H13 | 179.7° | 180.0° |
| C55 | C54 | C53 | H15 | 175.0° | 180.0° |
| C52 | C51 | C56 | C55 | 4.4° | 0.3° |
| C52 | C51 | C56 | C5 | 179.0° | 179.7° |
| C52 | C51 | C5 | C57 | 38.3° | 132.3° |
| C52 | C51 | C5 | C4 | 87.2° | 104.6° |
| C52 | C51 | C5 | N1 | 163.3° | 9.1° |
| C52 | C51 | C56 | H13 | 175.6° | 179.8° |
| C51 | C52 | C53 | H15 | 179.8° | 179.8° |
| CL4 | C44 | C43 | C45 | 178.9° | 179.9° |
| CL4 | C44 | C43 | C42 | 176.7° | 179.9° |
| CL4 | C44 | C45 | C46 | 176.9° | 179.7° |
| CL4 | C44 | C43 | H18 | 3.3° | 0.1° |
| CL4 | C44 | C45 | H19 | 3.1° | 0.1° |
| C55 | C56 | C51 | H13 | 180.0° | 180.0° |
| C55 | C56 | C51 | C5 | 174.6° | 180.0° |
| C44 | C43 | C42 | H18 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 2.0° | 0.2° |
| C44 | C43 | C42 | C41 | 0.6° | 0.0° |
| C44 | C43 | C42 | H17 | 179.5° | 180.0° |
| C43 | C44 | C45 | H19 | 178.0° | 180.0° |
| C45 | C44 | C43 | C42 | 2.2° | 0.1° |
| C44 | C45 | C46 | H19 | 180.0° | 179.8° |
| C44 | C45 | C46 | C41 | 0.1° | 0.5° |
| C45 | C44 | C43 | H18 | 177.8° | 180.0° |
| C44 | C45 | C46 | H20 | 179.9° | 180.0° |
| C56 | C51 | C5 | C57 | 142.7° | 47.9° |
| C56 | C51 | C5 | C4 | 91.7° | 75.2° |
| C56 | C51 | C5 | N1 | 17.7° | 171.1° |
| C51 | C56 | C55 | H14 | 179.7° | 179.9° |
| C56 | C51 | C52 | H16 | 175.6° | 180.0° |
| C51 | C5 | C57 | C4 | 125.8° | 123.1° |
| C51 | C5 | C57 | N1 | 123.8° | 123.2° |
| C51 | C5 | C4 | N1 | 116.1° | 118.4° |
| C51 | C5 | C4 | C41 | 26.8° | 0.3° |
| C51 | C5 | N1 | C10 | 69.7° | 61.9° |
| C51 | C5 | C4 | C47 | 149.8° | 123.0° |
| C51 | C5 | C4 | N3 | 93.4° | 118.4° |
| C51 | C5 | N1 | C2 | 90.4° | 118.4° |
| C51 | C5 | C57 | H1 | 180.0° | 5.4° |
| C51 | C5 | C57 | H2 | 60.0° | 114.5° |
| C51 | C5 | C57 | H3 | 60.0° | 125.4° |
| C5 | C51 | C56 | H13 | 5.4° | 0.0° |
| C5 | C51 | C52 | H16 | 5.4° | 0.3° |
| C43 | C42 | C41 | H17 | 180.0° | 180.0° |
| C43 | C42 | C41 | C46 | 1.3° | 0.2° |
| C43 | C42 | C41 | C4 | 179.4° | 180.0° |
| C45 | C46 | C41 | C42 | 1.5° | 0.5° |
| C45 | C46 | C41 | H20 | 180.0° | 179.5° |
| C45 | C46 | C41 | C4 | 179.1° | 179.8° |
| C57 | C5 | C4 | N1 | 118.2° | 118.4° |
| C57 | C5 | C4 | C41 | 98.9° | 122.8° |
| C57 | C5 | N1 | C10 | 55.1° | 61.4° |
| C57 | C5 | C4 | C47 | 24.1° | 0.2° |
| C57 | C5 | C4 | N3 | 140.9° | 118.4° |
| C57 | C5 | N1 | C2 | 144.9° | 118.4° |
| C5 | C57 | H1 | H2 | 120.0° | 119.9° |
| C5 | C57 | H1 | H3 | 120.0° | 120.1° |
| C5 | C57 | H2 | H3 | 120.0° | 120.0° |
| O10 | C10 | N1 | C5 | 7.1° | 170.9° |
| O10 | C10 | N1 | N10 | 179.0° | 180.0° |
| O10 | C10 | N1 | C2 | 148.9° | 9.4° |
| O10 | C10 | N10 | C14 | 39.3° | 174.9° |
| O10 | C10 | N10 | C11 | 148.3° | 4.9° |
| C42 | C41 | C4 | C5 | 93.6° | 96.1° |
| C42 | C41 | C46 | C4 | 179.4° | 179.7° |
| C42 | C41 | C4 | C47 | 29.2° | 26.6° |
| C42 | C41 | C4 | N3 | 150.0° | 149.4° |
| C41 | C42 | C43 | H18 | 179.4° | 180.0° |
| C42 | C41 | C46 | H20 | 178.5° | 180.0° |
| C5 | C4 | C41 | C46 | 87.0° | 84.2° |
| C5 | C4 | C41 | C47 | 122.9° | 122.7° |
| C5 | C4 | C41 | N3 | 116.4° | 114.5° |
| C4 | C5 | N1 | C10 | 172.8° | 179.7° |
| C5 | C4 | C47 | N3 | 113.4° | 114.5° |
| C4 | C5 | N1 | C2 | 27.2° | 0.0° |
| C5 | C4 | N3 | C2 | 10.7° | 0.0° |
| C4 | C5 | C57 | H1 | 54.1° | 117.8° |
| C4 | C5 | C57 | H2 | 65.9° | 122.3° |
| C4 | C5 | C57 | H3 | 174.1° | 2.3° |
| C5 | C4 | C47 | H4 | 180.0° | 60.0° |
| C5 | C4 | C47 | H5 | 60.0° | 179.9° |
| C5 | C4 | C47 | H6 | 60.0° | 60.0° |
| N1 | C5 | C4 | C41 | 142.9° | 118.7° |
| C5 | N1 | C10 | C2 | 156.0° | 179.7° |
| C5 | N1 | C10 | N10 | 171.9° | 9.1° |
| N1 | C5 | C4 | C47 | 94.1° | 118.6° |
| N1 | C5 | C4 | N3 | 22.6° | 0.0° |
| C5 | N1 | C2 | N3 | 23.5° | 0.0° |
| C5 | N1 | C2 | C21 | 152.1° | 180.0° |
| N1 | C5 | C57 | H1 | 56.2° | 128.6° |
| N1 | C5 | C57 | H2 | 176.2° | 8.7° |
| N1 | C5 | C57 | H3 | 63.8° | 111.3° |
| C46 | C41 | C4 | C47 | 150.1° | 153.1° |
| C46 | C41 | C4 | N3 | 29.3° | 30.3° |
| C46 | C41 | C42 | H17 | 178.7° | 179.7° |
| C41 | C46 | C45 | H19 | 179.9° | 179.7° |
| C41 | C4 | C47 | N3 | 121.6° | 122.9° |
| C41 | C4 | N3 | C2 | 132.7° | 118.6° |
| C41 | C4 | C47 | H4 | 55.0° | 177.3° |
| C41 | C4 | C47 | H5 | 65.0° | 57.4° |
| C41 | C4 | C47 | H6 | 175.0° | 62.6° |
| C4 | C41 | C42 | H17 | 0.7° | 0.0° |
| C4 | C41 | C46 | H20 | 0.8° | 0.3° |
| N1 | C10 | N10 | C14 | 141.6° | 5.1° |
| N1 | C10 | N10 | C11 | 30.7° | 175.1° |
| C10 | N1 | C2 | N3 | 177.8° | 179.7° |
| C10 | N1 | C2 | C21 | 6.6° | 0.2° |
| N10 | C10 | N1 | C2 | 32.1° | 170.6° |
| C10 | N10 | C14 | C11 | 172.8° | 179.8° |
| C10 | N10 | C14 | C13 | 151.4° | 128.8° |
| C10 | N10 | C11 | C12 | 154.7° | 128.9° |
| C10 | N10 | C14 | H21 | 88.5° | 111.5° |
| C10 | N10 | C14 | H22 | 31.4° | 9.1° |
| C10 | N10 | C11 | H28 | 85.0° | 9.2° |
| C10 | N10 | C11 | H29 | 34.3° | 111.5° |
| C47 | C4 | N3 | C2 | 106.3° | 118.6° |
| C4 | C47 | H4 | H5 | 120.0° | 120.0° |
| C4 | C47 | H4 | H6 | 120.0° | 120.1° |
| C4 | C47 | H5 | H6 | 120.0° | 120.1° |
| C4 | N3 | C2 | N1 | 7.0° | 0.0° |
| C4 | N3 | C2 | C21 | 168.3° | 179.9° |
| N3 | C4 | C47 | H4 | 66.6° | 54.5° |
| N3 | C4 | C47 | H5 | 173.4° | 65.5° |
| N3 | C4 | C47 | H6 | 53.4° | 174.5° |
| N1 | C2 | N3 | C21 | 175.3° | 179.9° |
| N1 | C2 | C21 | H10 | 174.9° | 84.6° |
| N1 | C2 | C21 | H11 | 65.1° | 155.4° |
| N1 | C2 | C21 | H12 | 54.9° | 35.3° |
| N10 | C14 | C13 | H21 | 120.0° | 119.7° |
| N10 | C14 | C13 | H22 | 120.0° | 119.7° |
| N10 | C14 | C13 | N12 | 65.9° | 53.9° |
| C14 | N10 | C11 | C12 | 32.8° | 50.9° |
| N10 | C14 | H21 | H22 | 119.9° | 120.4° |
| N10 | C14 | C13 | H23 | 174.0° | 173.8° |
| N10 | C14 | C13 | H24 | 54.2° | 66.1° |
| C14 | N10 | C11 | H28 | 87.5° | 170.6° |
| C14 | N10 | C11 | H29 | 153.2° | 68.7° |
| C13 | C14 | N10 | C11 | 21.4° | 50.9° |
| C14 | C13 | N12 | H23 | 120.1° | 119.9° |
| C14 | C13 | N12 | H24 | 120.1° | 119.9° |
| C14 | C13 | N12 | C12 | 50.3° | 63.1° |
| C14 | C13 | N12 | C15 | 175.8° | 172.8° |
| C13 | C14 | H21 | H22 | 119.9° | 120.5° |
| C14 | C13 | H23 | H24 | 119.8° | 120.0° |
| N10 | C11 | C12 | H28 | 120.3° | 119.8° |
| N10 | C11 | C12 | H29 | 120.3° | 119.8° |
| N10 | C11 | C12 | N12 | 47.7° | 53.6° |
| C11 | N10 | C14 | H21 | 98.7° | 68.8° |
| C11 | N10 | C14 | H22 | 141.4° | 170.7° |
| N10 | C11 | C12 | H26 | 168.3° | 173.6° |
| N10 | C11 | C12 | H27 | 72.9° | 66.3° |
| N10 | C11 | H28 | H29 | 119.1° | 120.5° |
| N3 | C2 | C21 | H10 | 0.0° | 95.4° |
| N3 | C2 | C21 | H11 | 120.0° | 24.6° |
| N3 | C2 | C21 | H12 | 120.0° | 144.6° |
| C2 | C21 | H10 | H11 | 120.0° | 120.0° |
| C2 | C21 | H10 | H12 | 120.0° | 120.0° |
| C2 | C21 | H11 | H12 | 119.9° | 120.0° |
| C13 | N12 | C12 | C11 | 5.6° | 63.0° |
| C13 | N12 | C12 | C15 | 124.7° | 124.1° |
| C13 | N12 | C15 | C16 | 173.0° | 170.0° |
| N12 | C13 | C14 | H21 | 54.1° | 65.9° |
| N12 | C13 | C14 | H22 | 174.1° | 173.5° |
| N12 | C13 | H23 | H24 | 119.7° | 120.1° |
| C13 | N12 | C12 | H26 | 126.2° | 176.9° |
| C13 | N12 | C12 | H27 | 115.0° | 56.9° |
| C13 | N12 | C15 | H37 | 52.8° | 50.0° |
| C13 | N12 | C15 | H38 | 66.8° | 70.0° |
| C11 | C12 | N12 | H26 | 120.6° | 120.1° |
| C11 | C12 | N12 | H27 | 120.6° | 119.8° |
| C11 | C12 | N12 | C15 | 119.0° | 172.9° |
| C11 | C12 | H26 | H27 | 118.2° | 120.0° |
| C12 | C11 | H28 | H29 | 119.1° | 120.2° |
| C12 | N12 | C15 | C16 | 60.9° | 65.7° |
| C12 | N12 | C13 | H23 | 170.4° | 177.0° |
| C12 | N12 | C13 | H24 | 69.8° | 56.8° |
| N12 | C12 | H26 | H27 | 118.2° | 120.0° |
| N12 | C12 | C11 | H28 | 72.6° | 173.4° |
| N12 | C12 | C11 | H29 | 168.0° | 66.2° |
| C12 | N12 | C15 | H37 | 178.9° | 174.3° |
| C12 | N12 | C15 | H38 | 59.3° | 54.3° |
| N12 | C15 | C16 | H37 | 120.2° | 120.0° |
| N12 | C15 | C16 | H38 | 120.2° | 120.0° |
| N12 | C15 | C16 | C17 | 164.1° | 180.0° |
| C15 | N12 | C13 | H23 | 64.1° | 52.8° |
| C15 | N12 | C13 | H24 | 55.7° | 67.3° |
| C15 | N12 | C12 | H26 | 1.5° | 52.8° |
| C15 | N12 | C12 | H27 | 120.4° | 67.3° |
| N12 | C15 | C16 | H30 | 75.8° | 60.0° |
| N12 | C15 | C16 | H31 | 43.9° | 60.0° |
| N12 | C15 | H37 | H38 | 119.4° | 120.0° |
| C15 | C16 | C17 | H30 | 120.1° | 120.0° |
| C15 | C16 | C17 | H31 | 120.1° | 120.1° |
| C15 | C16 | C17 | S17 | 118.5° | 180.0° |
| C15 | C16 | H30 | H31 | 119.6° | 120.0° |
| C15 | C16 | C17 | H32 | 121.3° | 60.0° |
| C15 | C16 | C17 | H33 | 1.8° | 60.0° |
| C16 | C15 | H37 | H38 | 119.4° | 120.0° |
| C16 | C17 | S17 | H32 | 120.2° | 120.0° |
| C16 | C17 | S17 | H33 | 120.2° | 119.9° |
| C16 | C17 | S17 | O18 | 61.9° | 65.6° |
| C16 | C17 | S17 | O17 | 65.7° | 65.5° |
| C16 | C17 | S17 | C19 | 178.1° | 180.0° |
| C17 | C16 | H30 | H31 | 119.6° | 120.0° |
| C16 | C17 | H32 | H33 | 119.3° | 120.0° |
| C17 | C16 | C15 | H37 | 43.9° | 60.0° |
| C17 | C16 | C15 | H38 | 75.7° | 60.1° |
| C17 | S17 | O18 | O17 | 123.1° | 125.0° |
| C17 | S17 | O18 | C19 | 114.0° | 110.0° |
| C17 | S17 | O17 | C19 | 114.1° | 110.0° |
| S17 | C17 | C16 | H30 | 1.7° | 60.0° |
| S17 | C17 | C16 | H31 | 121.4° | 59.9° |
| S17 | C17 | H32 | H33 | 119.3° | 120.0° |
| C17 | S17 | C19 | H34 | 180.0° | 60.0° |
| C17 | S17 | C19 | H35 | 60.0° | 180.0° |
| C17 | S17 | C19 | H36 | 60.0° | 59.9° |
| O18 | S17 | O17 | C19 | 122.9° | 125.0° |
| O18 | S17 | C17 | H32 | 177.8° | 54.5° |
| O18 | S17 | C17 | H33 | 58.3° | 174.5° |
| O18 | S17 | C19 | H34 | 63.9° | 174.5° |
| O18 | S17 | C19 | H35 | 176.2° | 65.6° |
| O18 | S17 | C19 | H36 | 56.2° | 54.5° |
| O17 | S17 | C17 | H32 | 54.6° | 174.5° |
| O17 | S17 | C17 | H33 | 174.1° | 54.4° |
| O17 | S17 | C19 | H34 | 63.7° | 54.5° |
| O17 | S17 | C19 | H35 | 56.3° | 65.5° |
| O17 | S17 | C19 | H36 | 176.3° | 174.4° |
| C19 | S17 | C17 | H32 | 61.7° | 60.0° |
| C19 | S17 | C17 | H33 | 57.9° | 60.0° |
| S17 | C19 | H34 | H35 | 120.0° | 120.0° |
| S17 | C19 | H34 | H36 | 120.0° | 120.0° |
| S17 | C19 | H35 | H36 | 120.0° | 120.1° |
| H1 | C57 | H2 | H3 | 120.0° | 120.1° |
| H4 | C47 | H5 | H6 | 120.0° | 120.0° |
| H10 | C21 | H11 | H12 | 120.0° | 120.0° |
| H13 | C56 | C55 | H14 | 0.3° | 0.0° |
| H15 | C53 | C52 | H16 | 0.2° | 0.3° |
| H17 | C42 | C43 | H18 | 0.6° | 0.0° |
| H19 | C45 | C46 | H20 | 0.2° | 0.2° |
| H21 | C14 | C13 | H23 | 66.0° | 54.1° |
| H21 | C14 | C13 | H24 | 174.2° | 174.2° |
| H22 | C14 | C13 | H23 | 54.0° | 66.5° |
| H22 | C14 | C13 | H24 | 65.9° | 53.6° |
| H26 | C12 | C11 | H28 | 48.0° | 66.6° |
| H26 | C12 | C11 | H29 | 71.4° | 53.9° |
| H27 | C12 | C11 | H28 | 166.8° | 53.5° |
| H27 | C12 | C11 | H29 | 47.4° | 173.9° |
| H30 | C16 | C17 | H32 | 118.5° | 60.0° |
| H30 | C16 | C17 | H33 | 121.9° | 180.0° |
| H30 | C16 | C15 | H37 | 164.0° | 60.0° |
| H30 | C16 | C15 | H38 | 44.4° | 180.0° |
| H31 | C16 | C17 | H32 | 1.2° | 180.0° |
| H31 | C16 | C17 | H33 | 118.4° | 60.0° |
| H31 | C16 | C15 | H37 | 76.3° | 180.0° |
| H31 | C16 | C15 | H38 | 164.1° | 60.0° |
| H34 | C19 | H35 | H36 | 120.0° | 120.0° |
