6IH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C15 | doub | 1.21Å | 1.24Å | |
| O10 | N8 | sing | 1.22Å | 1.39Å | |
| C15 | O16 | sing | 1.34Å | 1.25Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| N18 | C14 | sing | 1.47Å | 1.48Å | |
| N8 | O9 | doub | 1.22Å | 1.38Å | |
| N8 | C21 | sing | 1.48Å | 1.40Å | |
| N6 | C6 | sing | 1.38Å | 1.35Å | |
| N7 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C31 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C41 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C3 | sing | 1.38Å | 1.50Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.47Å | Aromatic |
| O41 | C42 | sing | 1.43Å | 1.42Å | |
| O41 | C41 | sing | 1.36Å | 1.37Å | |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C41 | C51 | doub | 1.39Å | 1.48Å | Aromatic |
| C12 | S11 | sing | 1.81Å | 1.61Å | |
| S11 | C7 | sing | 1.81Å | 1.62Å | |
| S11 | C19 | sing | 1.81Å | 1.61Å | |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| N9 | C23 | sing | 1.47Å | 1.49Å | |
| O25 | C27 | sing | 1.43Å | 1.42Å | |
| C27 | C22 | sing | 1.55Å | 1.51Å | |
| C27 | C20 | sing | 1.54Å | 1.52Å | |
| C3 | C7 | sing | 1.51Å | 1.50Å | |
| C3 | C61 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C22 | C23 | sing | 1.55Å | 1.52Å | |
| C22 | O26 | sing | 1.43Å | 1.44Å | |
| C51 | C61 | sing | 1.39Å | 1.39Å | Aromatic |
| C51 | O51 | sing | 1.36Å | 1.37Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C23 | O24 | sing | 1.44Å | 1.43Å | |
| C20 | O24 | sing | 1.44Å | 1.42Å | |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| O51 | C52 | sing | 1.43Å | 1.43Å | |
| O16 | H1 | sing | 0.97Å | 0.95Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| N18 | H3 | sing | 1.01Å | 1.00Å | |
| N18 | H4 | sing | 1.01Å | 1.00Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C61 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| O26 | H18 | sing | 0.97Å | 0.95Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| O25 | H20 | sing | 0.97Å | 0.95Å | |
| C8 | H21 | sing | 1.08Å | 1.08Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å | |
| N6 | H23 | sing | 0.97Å | 1.00Å | |
| C2 | H24 | sing | 1.08Å | 1.08Å | |
| C42 | H25 | sing | 1.09Å | 1.10Å | |
| C42 | H26 | sing | 1.09Å | 1.10Å | |
| C42 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C52 | H29 | sing | 1.09Å | 1.10Å | |
| C52 | H30 | sing | 1.09Å | 1.10Å | |
| C52 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C15 | O16 | 123.1° | 119.9° |
| O17 | C15 | C14 | 116.0° | 120.0° |
| O10 | N8 | O9 | 119.1° | 120.0° |
| O10 | N8 | C21 | 118.7° | 120.0° |
| O16 | C15 | C14 | 120.9° | 120.0° |
| C15 | O16 | H1 | 109.5° | 117.1° |
| C15 | C14 | N18 | 108.2° | 109.5° |
| C15 | C14 | C13 | 111.6° | 109.5° |
| C15 | C14 | H2 | 108.2° | 109.5° |
| N18 | C14 | C13 | 112.5° | 109.5° |
| N18 | C14 | H2 | 108.4° | 109.5° |
| C14 | N18 | H3 | 109.5° | 111.0° |
| C14 | N18 | H4 | 109.4° | 111.0° |
| O9 | N8 | C21 | 122.2° | 120.0° |
| N8 | C21 | C31 | 114.6° | 119.9° |
| N8 | C21 | C3 | 125.4° | 120.0° |
| N6 | C6 | C5 | 120.7° | 120.7° |
| N6 | C6 | N1 | 120.2° | 120.7° |
| C6 | N6 | H22 | 109.5° | 119.9° |
| C6 | N6 | H23 | 109.5° | 120.0° |
| C8 | N7 | C5 | 107.6° | 109.4° |
| N7 | C8 | N9 | 110.7° | 110.0° |
| N7 | C8 | H21 | 124.7° | 125.0° |
| N7 | C5 | C6 | 136.2° | 134.8° |
| N7 | C5 | C4 | 106.4° | 107.1° |
| C14 | C13 | C12 | 109.3° | 109.5° |
| C13 | C14 | H2 | 107.8° | 109.5° |
| C14 | C13 | H6 | 109.5° | 109.5° |
| C14 | C13 | H7 | 109.5° | 109.5° |
| C21 | C31 | C41 | 121.1° | 120.0° |
| C31 | C21 | C3 | 120.1° | 120.1° |
| C21 | C31 | H28 | 119.4° | 120.0° |
| C31 | C41 | O41 | 119.4° | 120.1° |
| C31 | C41 | C51 | 119.6° | 119.9° |
| C41 | C31 | H28 | 119.4° | 120.0° |
| C21 | C3 | C7 | 125.0° | 119.9° |
| C21 | C3 | C61 | 118.2° | 120.2° |
| C8 | N9 | C4 | 108.7° | 107.4° |
| C8 | N9 | C23 | 127.4° | 126.3° |
| N9 | C8 | H21 | 124.6° | 125.0° |
| C6 | C5 | C4 | 117.4° | 118.1° |
| C5 | C6 | N1 | 119.1° | 118.5° |
| C5 | C4 | N9 | 106.6° | 106.0° |
| C5 | C4 | N3 | 119.4° | 119.1° |
| C42 | O41 | C41 | 119.0° | 117.0° |
| O41 | C42 | H25 | 109.5° | 109.4° |
| O41 | C42 | H26 | 109.4° | 109.5° |
| O41 | C42 | H27 | 109.5° | 109.5° |
| O41 | C41 | C51 | 121.0° | 120.1° |
| C6 | N1 | C2 | 122.2° | 121.2° |
| C13 | C12 | S11 | 122.5° | 109.5° |
| C12 | C13 | H6 | 109.5° | 109.5° |
| C12 | C13 | H7 | 109.5° | 109.5° |
| C13 | C12 | H8 | 106.1° | 109.5° |
| C13 | C12 | H9 | 106.1° | 109.4° |
| C41 | C51 | C61 | 119.8° | 119.9° |
| C41 | C51 | O51 | 119.0° | 120.1° |
| C12 | S11 | C7 | 108.4° | 103.0° |
| C12 | S11 | C19 | 104.3° | 103.0° |
| S11 | C12 | H8 | 106.1° | 109.5° |
| S11 | C12 | H9 | 106.1° | 109.5° |
| C7 | S11 | C19 | 109.5° | 103.0° |
| S11 | C7 | C3 | 128.9° | 109.5° |
| S11 | C7 | H10 | 104.4° | 109.5° |
| S11 | C7 | H11 | 104.4° | 109.5° |
| S11 | C19 | C20 | 122.7° | 109.4° |
| S11 | C19 | H13 | 106.1° | 109.5° |
| S11 | C19 | H14 | 106.1° | 109.5° |
| C4 | N9 | C23 | 123.9° | 126.3° |
| N9 | C4 | N3 | 134.0° | 134.9° |
| N9 | C23 | C22 | 110.7° | 110.7° |
| N9 | C23 | O24 | 109.7° | 110.6° |
| N9 | C23 | H16 | 109.6° | 110.5° |
| O25 | C27 | C22 | 110.9° | 110.5° |
| O25 | C27 | C20 | 112.5° | 110.5° |
| O25 | C27 | H19 | 111.1° | 110.5° |
| C27 | O25 | H20 | 109.5° | 114.0° |
| C22 | C27 | C20 | 102.5° | 104.2° |
| C27 | C22 | C23 | 102.2° | 102.1° |
| C27 | C22 | O26 | 110.8° | 110.9° |
| C27 | C22 | H17 | 111.0° | 110.9° |
| C22 | C27 | H19 | 109.8° | 110.5° |
| C27 | C20 | C19 | 112.7° | 109.9° |
| C27 | C20 | O24 | 104.4° | 107.3° |
| C27 | C20 | H15 | 109.1° | 110.0° |
| C20 | C27 | H19 | 109.7° | 110.5° |
| C7 | C3 | C61 | 116.8° | 119.9° |
| C3 | C7 | H10 | 104.4° | 109.4° |
| C3 | C7 | H11 | 104.4° | 109.5° |
| C3 | C61 | C51 | 121.2° | 120.0° |
| C3 | C61 | H12 | 119.4° | 120.0° |
| C4 | N3 | C2 | 119.8° | 120.6° |
| N1 | C2 | N3 | 122.1° | 122.5° |
| N1 | C2 | H24 | 119.0° | 118.7° |
| C23 | C22 | O26 | 109.4° | 110.9° |
| C22 | C23 | O24 | 107.4° | 103.5° |
| C22 | C23 | H16 | 109.1° | 110.6° |
| C23 | C22 | H17 | 110.9° | 110.9° |
| O26 | C22 | H17 | 112.1° | 110.8° |
| C22 | O26 | H18 | 109.5° | 114.0° |
| C61 | C51 | O51 | 121.2° | 120.1° |
| C51 | C61 | H12 | 119.4° | 120.0° |
| C51 | O51 | C52 | 120.7° | 117.0° |
| C19 | C20 | O24 | 110.8° | 109.9° |
| C20 | C19 | H13 | 106.1° | 109.5° |
| C20 | C19 | H14 | 106.1° | 109.5° |
| C19 | C20 | H15 | 109.3° | 109.9° |
| C23 | O24 | C20 | 109.4° | 107.0° |
| O24 | C23 | H16 | 110.3° | 110.6° |
| O24 | C20 | H15 | 110.5° | 109.9° |
| N3 | C2 | H24 | 119.0° | 118.8° |
| O51 | C52 | H29 | 109.5° | 109.5° |
| O51 | C52 | H30 | 109.4° | 109.5° |
| O51 | C52 | H31 | 109.5° | 109.5° |
| H3 | N18 | H4 | 109.5° | 111.0° |
| H6 | C13 | H7 | 109.4° | 109.4° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.4° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H22 | N6 | H23 | 109.4° | 120.0° |
| H25 | C42 | H26 | 109.5° | 109.5° |
| H25 | C42 | H27 | 109.4° | 109.5° |
| H26 | C42 | H27 | 109.5° | 109.5° |
| H29 | C52 | H30 | 109.5° | 109.5° |
| H29 | C52 | H31 | 109.4° | 109.4° |
| H30 | C52 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C15 | O16 | C14 | 179.0° | 179.7° |
| O17 | C15 | C14 | N18 | 56.7° | 20.0° |
| O17 | C15 | C14 | C13 | 179.0° | 100.0° |
| O17 | C15 | O16 | H1 | 0.0° | 0.0° |
| O17 | C15 | C14 | H2 | 60.6° | 140.0° |
| O10 | N8 | O9 | C21 | 178.9° | 180.0° |
| O10 | N8 | C21 | C31 | 24.3° | 41.0° |
| O10 | N8 | C21 | C3 | 155.2° | 139.0° |
| O16 | C15 | C14 | N18 | 124.3° | 160.3° |
| O16 | C15 | C14 | C13 | 0.1° | 79.7° |
| O16 | C15 | C14 | H2 | 118.5° | 40.3° |
| C15 | C14 | N18 | C13 | 123.8° | 120.0° |
| C15 | C14 | N18 | H2 | 117.1° | 120.0° |
| C15 | C14 | C13 | H2 | 118.6° | 120.0° |
| C15 | C14 | C13 | C12 | 130.0° | 174.8° |
| C14 | C15 | O16 | H1 | 179.0° | 179.7° |
| C15 | C14 | N18 | H3 | 180.0° | 177.9° |
| C15 | C14 | N18 | H4 | 60.0° | 58.1° |
| C15 | C14 | C13 | H6 | 110.0° | 54.7° |
| C15 | C14 | C13 | H7 | 10.0° | 65.2° |
| N18 | C14 | C13 | H2 | 119.5° | 120.0° |
| N18 | C14 | C13 | C12 | 8.2° | 65.2° |
| C14 | N18 | H3 | H4 | 120.0° | 124.0° |
| N18 | C14 | C13 | H6 | 128.2° | 174.8° |
| N18 | C14 | C13 | H7 | 111.8° | 54.8° |
| O9 | N8 | C21 | C31 | 154.6° | 139.1° |
| O9 | N8 | C21 | C3 | 25.9° | 41.0° |
| N8 | C21 | C31 | C3 | 179.6° | 180.0° |
| N8 | C21 | C31 | C41 | 179.9° | 180.0° |
| N8 | C21 | C3 | C7 | 1.2° | 0.0° |
| N8 | C21 | C3 | C61 | 179.6° | 179.7° |
| N8 | C21 | C31 | H28 | 0.1° | 0.1° |
| N6 | C6 | C5 | N7 | 0.5° | 0.1° |
| N6 | C6 | C5 | N1 | 179.2° | 179.9° |
| N6 | C6 | C5 | C4 | 179.5° | 180.0° |
| N6 | C6 | N1 | C2 | 179.5° | 179.9° |
| C6 | N6 | H22 | H23 | 120.0° | 179.9° |
| N7 | C8 | N9 | H21 | 180.0° | 180.0° |
| C8 | N7 | C5 | C6 | 179.6° | 180.0° |
| C8 | N7 | C5 | C4 | 0.5° | 0.1° |
| N7 | C8 | N9 | C4 | 0.0° | 0.0° |
| N7 | C8 | N9 | C23 | 179.6° | 179.8° |
| C5 | N7 | C8 | N9 | 0.3° | 0.0° |
| N7 | C5 | C6 | C4 | 180.0° | 180.0° |
| N7 | C5 | C6 | N1 | 179.6° | 180.0° |
| N7 | C5 | C4 | N9 | 0.5° | 0.0° |
| N7 | C5 | C4 | N3 | 179.7° | 180.0° |
| C5 | N7 | C8 | H21 | 179.7° | 180.0° |
| C14 | C13 | C12 | H6 | 120.0° | 120.0° |
| C14 | C13 | C12 | H7 | 120.0° | 120.0° |
| C14 | C13 | C12 | S11 | 140.0° | 177.1° |
| C13 | C14 | N18 | H3 | 56.3° | 62.0° |
| C13 | C14 | N18 | H4 | 63.7° | 61.9° |
| C14 | C13 | H6 | H7 | 120.1° | 120.0° |
| C14 | C13 | C12 | H8 | 18.2° | 57.1° |
| C14 | C13 | C12 | H9 | 98.2° | 62.9° |
| C21 | C31 | C41 | H28 | 180.0° | 180.0° |
| C21 | C31 | C41 | O41 | 179.8° | 180.0° |
| C21 | C31 | C41 | C51 | 0.2° | 0.2° |
| C31 | C21 | C3 | C7 | 179.3° | 180.0° |
| C31 | C21 | C3 | C61 | 0.8° | 0.3° |
| C41 | C31 | C21 | C3 | 0.5° | 0.0° |
| C31 | C41 | O41 | C42 | 105.3° | 0.2° |
| C31 | C41 | O41 | C51 | 180.0° | 179.8° |
| C31 | C41 | C51 | C61 | 0.4° | 0.2° |
| C31 | C41 | C51 | O51 | 179.8° | 179.8° |
| C21 | C3 | C7 | S11 | 42.3° | 94.7° |
| C21 | C3 | C7 | C61 | 178.4° | 179.7° |
| C21 | C3 | C61 | C51 | 1.0° | 0.3° |
| C21 | C3 | C7 | H10 | 164.8° | 145.3° |
| C21 | C3 | C7 | H11 | 80.3° | 25.4° |
| C21 | C3 | C61 | H12 | 179.0° | 179.7° |
| C3 | C21 | C31 | H28 | 179.5° | 180.0° |
| C8 | N9 | C4 | C5 | 0.3° | 0.0° |
| C8 | N9 | C4 | C23 | 179.6° | 179.7° |
| C8 | N9 | C4 | N3 | 180.0° | 179.9° |
| C8 | N9 | C23 | C22 | 31.4° | 89.7° |
| C8 | N9 | C23 | O24 | 87.0° | 24.4° |
| C8 | N9 | C23 | H16 | 151.8° | 147.3° |
| C6 | C5 | C4 | N9 | 179.5° | 180.0° |
| C6 | C5 | C4 | N3 | 0.2° | 0.0° |
| C5 | C6 | N1 | C2 | 0.4° | 0.0° |
| C5 | C6 | N6 | H22 | 179.1° | 0.0° |
| C5 | C6 | N6 | H23 | 59.2° | 180.0° |
| C4 | C5 | C6 | N1 | 0.4° | 0.0° |
| C5 | C4 | N9 | N3 | 179.7° | 179.9° |
| C5 | C4 | N9 | C23 | 179.9° | 179.7° |
| C5 | C4 | N3 | C2 | 0.1° | 0.0° |
| C42 | O41 | C41 | C51 | 74.7° | 180.0° |
| O41 | C42 | H25 | H26 | 120.0° | 120.0° |
| O41 | C42 | H25 | H27 | 120.0° | 120.0° |
| O41 | C42 | H26 | H27 | 120.0° | 120.0° |
| O41 | C41 | C51 | C61 | 179.6° | 180.0° |
| O41 | C41 | C51 | O51 | 0.2° | 0.0° |
| C41 | O41 | C42 | H25 | 180.0° | 60.0° |
| C41 | O41 | C42 | H26 | 60.0° | 60.0° |
| C41 | O41 | C42 | H27 | 60.0° | 180.0° |
| O41 | C41 | C31 | H28 | 0.3° | 0.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| N1 | C6 | N6 | H22 | 0.0° | 180.0° |
| N1 | C6 | N6 | H23 | 120.0° | 0.1° |
| C6 | N1 | C2 | H24 | 179.8° | 179.9° |
| C13 | C12 | S11 | H8 | 121.8° | 120.0° |
| C13 | C12 | S11 | H9 | 121.8° | 120.0° |
| C13 | C12 | S11 | C7 | 28.6° | 177.0° |
| C13 | C12 | S11 | C19 | 145.1° | 70.2° |
| C12 | C13 | C14 | H2 | 111.4° | 54.8° |
| C12 | C13 | H6 | H7 | 120.1° | 120.0° |
| C13 | C12 | H8 | H9 | 114.1° | 120.0° |
| C41 | C51 | C61 | C3 | 0.7° | 0.0° |
| C41 | C51 | C61 | O51 | 179.5° | 180.0° |
| C41 | C51 | O51 | C52 | 162.3° | 180.0° |
| C41 | C51 | C61 | H12 | 179.2° | 180.0° |
| C51 | C41 | C31 | H28 | 179.7° | 179.8° |
| C12 | S11 | C7 | C19 | 113.2° | 106.8° |
| C12 | S11 | C7 | C3 | 126.5° | 73.2° |
| C12 | S11 | C19 | C20 | 167.1° | 174.6° |
| S11 | C12 | C13 | H6 | 100.0° | 62.8° |
| S11 | C12 | C13 | H7 | 20.0° | 57.1° |
| S11 | C12 | H8 | H9 | 114.1° | 120.0° |
| C12 | S11 | C7 | H10 | 111.0° | 166.9° |
| C12 | S11 | C7 | H11 | 3.9° | 46.9° |
| C12 | S11 | C19 | H13 | 45.3° | 54.6° |
| C12 | S11 | C19 | H14 | 71.1° | 65.5° |
| S11 | C7 | C3 | H10 | 122.5° | 120.0° |
| S11 | C7 | C3 | H11 | 122.6° | 120.0° |
| S11 | C7 | C3 | C61 | 139.3° | 85.0° |
| C7 | S11 | C19 | C20 | 77.1° | 78.6° |
| C7 | S11 | C12 | H8 | 150.4° | 57.0° |
| C7 | S11 | C12 | H9 | 93.2° | 63.1° |
| S11 | C7 | H10 | H11 | 111.3° | 120.0° |
| C7 | S11 | C19 | H13 | 161.1° | 161.4° |
| C7 | S11 | C19 | H14 | 44.7° | 41.4° |
| S11 | C19 | C20 | C27 | 70.7° | 179.6° |
| C19 | S11 | C7 | C3 | 120.4° | 180.0° |
| S11 | C19 | C20 | H13 | 121.8° | 120.0° |
| S11 | C19 | C20 | H14 | 121.9° | 120.0° |
| S11 | C19 | C20 | O24 | 45.8° | 61.8° |
| C19 | S11 | C12 | H8 | 93.1° | 49.9° |
| C19 | S11 | C12 | H9 | 23.3° | 169.9° |
| C19 | S11 | C7 | H10 | 2.2° | 60.1° |
| C19 | S11 | C7 | H11 | 117.1° | 60.0° |
| S11 | C19 | H13 | H14 | 114.1° | 120.1° |
| S11 | C19 | C20 | H15 | 167.8° | 59.2° |
| C4 | N9 | C23 | C22 | 149.1° | 89.9° |
| C4 | N9 | C23 | O24 | 92.5° | 155.9° |
| N9 | C4 | N3 | C2 | 179.6° | 179.9° |
| C4 | N9 | C23 | H16 | 28.7° | 33.0° |
| C4 | N9 | C8 | H21 | 179.9° | 180.0° |
| N9 | C23 | C22 | C27 | 100.3° | 155.6° |
| C23 | N9 | C4 | N3 | 0.4° | 0.2° |
| N9 | C23 | C22 | O24 | 119.8° | 118.5° |
| N9 | C23 | C22 | H16 | 120.6° | 122.9° |
| N9 | C23 | C22 | O26 | 142.3° | 86.2° |
| N9 | C23 | O24 | H16 | 120.8° | 122.8° |
| N9 | C23 | O24 | C20 | 124.1° | 158.7° |
| N9 | C23 | C22 | H17 | 18.1° | 37.4° |
| C23 | N9 | C8 | H21 | 0.4° | 0.3° |
| O25 | C27 | C22 | C20 | 120.3° | 118.7° |
| O25 | C27 | C22 | H19 | 123.1° | 122.7° |
| O25 | C27 | C20 | H19 | 124.2° | 122.6° |
| O25 | C27 | C22 | C23 | 154.1° | 97.8° |
| O25 | C27 | C22 | O26 | 37.5° | 20.4° |
| O25 | C27 | C20 | C19 | 83.5° | 119.9° |
| O25 | C27 | C20 | O24 | 156.2° | 120.7° |
| O25 | C27 | C20 | H15 | 38.1° | 1.2° |
| O25 | C27 | C22 | H17 | 87.7° | 144.0° |
| C22 | C27 | C20 | H19 | 116.6° | 118.7° |
| C27 | C22 | C23 | O26 | 117.5° | 118.2° |
| C27 | C22 | C23 | H17 | 118.4° | 118.2° |
| C27 | C22 | O26 | H17 | 124.6° | 123.7° |
| C22 | C27 | C20 | C19 | 157.4° | 121.4° |
| C27 | C22 | C23 | O24 | 19.5° | 37.0° |
| C22 | C27 | C20 | O24 | 37.0° | 2.0° |
| C22 | C27 | C20 | H15 | 81.0° | 117.5° |
| C27 | C22 | C23 | H16 | 139.1° | 81.5° |
| C27 | C22 | O26 | H18 | 180.0° | 67.3° |
| C22 | C27 | O25 | H20 | 180.0° | 61.5° |
| C20 | C27 | C22 | C23 | 33.7° | 20.9° |
| C20 | C27 | C22 | O26 | 82.8° | 139.1° |
| C27 | C20 | C19 | O24 | 116.6° | 117.8° |
| C27 | C20 | C19 | H15 | 121.5° | 121.2° |
| C27 | C20 | O24 | C23 | 25.5° | 26.5° |
| C27 | C20 | O24 | H15 | 117.2° | 119.6° |
| C27 | C20 | C19 | H13 | 51.1° | 59.7° |
| C27 | C20 | C19 | H14 | 167.4° | 60.4° |
| C20 | C27 | C22 | H17 | 152.0° | 97.3° |
| C20 | C27 | O25 | H20 | 65.8° | 176.3° |
| C7 | C3 | C61 | C51 | 179.5° | 180.0° |
| C3 | C7 | H10 | H11 | 111.3° | 120.0° |
| C7 | C3 | C61 | H12 | 0.5° | 0.0° |
| C3 | C61 | C51 | H12 | 180.0° | 180.0° |
| C3 | C61 | C51 | O51 | 179.8° | 180.0° |
| C61 | C3 | C7 | H10 | 16.7° | 35.0° |
| C61 | C3 | C7 | H11 | 98.1° | 154.9° |
| C4 | N3 | C2 | N1 | 0.1° | 0.0° |
| C4 | N3 | C2 | H24 | 179.9° | 179.9° |
| N1 | C2 | N3 | H24 | 180.0° | 179.9° |
| C23 | C22 | O26 | H17 | 123.4° | 123.6° |
| C22 | C23 | O24 | H16 | 118.8° | 118.5° |
| C22 | C23 | O24 | C20 | 3.7° | 40.1° |
| C23 | C22 | O26 | H18 | 68.0° | 180.0° |
| C23 | C22 | C27 | H19 | 82.8° | 139.5° |
| O26 | C22 | C23 | O24 | 98.0° | 155.3° |
| O26 | C22 | C23 | H16 | 21.6° | 36.7° |
| O26 | C22 | C27 | H19 | 160.7° | 102.2° |
| C61 | C51 | O51 | C52 | 18.2° | 0.0° |
| O51 | C51 | C61 | H12 | 0.2° | 0.0° |
| C51 | O51 | C52 | H29 | 180.0° | 60.0° |
| C51 | O51 | C52 | H30 | 60.0° | 180.0° |
| C51 | O51 | C52 | H31 | 60.0° | 59.9° |
| C19 | C20 | O24 | C23 | 147.1° | 145.9° |
| C19 | C20 | O24 | H15 | 121.3° | 121.0° |
| C20 | C19 | H13 | H14 | 114.0° | 120.0° |
| C19 | C20 | C27 | H19 | 40.8° | 2.8° |
| C23 | O24 | C20 | H15 | 91.6° | 93.0° |
| O24 | C23 | C22 | H17 | 137.9° | 81.2° |
| O24 | C20 | C19 | H13 | 167.6° | 58.1° |
| O24 | C20 | C19 | H14 | 76.0° | 178.2° |
| C20 | O24 | C23 | H16 | 115.1° | 78.5° |
| O24 | C20 | C27 | H19 | 79.6° | 116.7° |
| O51 | C52 | H29 | H30 | 120.0° | 120.0° |
| O51 | C52 | H29 | H31 | 120.0° | 120.0° |
| O51 | C52 | H30 | H31 | 120.0° | 120.1° |
| H2 | C14 | N18 | H3 | 62.9° | 58.0° |
| H2 | C14 | N18 | H4 | 177.1° | 178.1° |
| H2 | C14 | C13 | H6 | 8.6° | 65.2° |
| H2 | C14 | C13 | H7 | 128.6° | 174.8° |
| H6 | C13 | C12 | H8 | 138.2° | 177.1° |
| H6 | C13 | C12 | H9 | 21.8° | 57.1° |
| H7 | C13 | C12 | H8 | 101.8° | 62.9° |
| H7 | C13 | C12 | H9 | 141.8° | 177.1° |
| H13 | C19 | C20 | H15 | 70.4° | 179.2° |
| H14 | C19 | C20 | H15 | 45.9° | 60.8° |
| H15 | C20 | C27 | H19 | 162.3° | 123.9° |
| H16 | C23 | C22 | H17 | 102.5° | 160.3° |
| H17 | C22 | O26 | H18 | 55.4° | 56.4° |
| H17 | C22 | C27 | H19 | 35.4° | 21.3° |
| H19 | C27 | O25 | H20 | 57.6° | 61.2° |
| H25 | C42 | H26 | H27 | 120.0° | 120.0° |
| H29 | C52 | H30 | H31 | 119.9° | 119.9° |
