QZS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O47 | S44 | doub | 1.42Å | 1.54Å | |
| N46 | S44 | sing | 1.66Å | 1.63Å | |
| C42 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C43 | C38 | sing | 1.40Å | 1.41Å | Aromatic |
| S44 | C41 | sing | 1.76Å | 1.82Å | |
| S44 | O45 | doub | 1.42Å | 1.54Å | |
| C41 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| O37 | C36 | doub | 1.21Å | 1.24Å | |
| C38 | C36 | sing | 1.48Å | 1.42Å | |
| C38 | C39 | doub | 1.40Å | 1.40Å | Aromatic |
| C36 | N35 | sing | 1.35Å | 1.47Å | |
| C40 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | N35 | sing | 1.47Å | 1.44Å | |
| C34 | C32 | sing | 1.51Å | 1.44Å | |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C28 | sing | 1.39Å | 1.41Å | Aromatic |
| O27 | C27 | sing | 1.43Å | 1.41Å | |
| O27 | C28 | sing | 1.36Å | 1.37Å | |
| C32 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C28 | C29 | doub | 1.39Å | 1.38Å | Aromatic |
| N23 | N22 | doub | 1.29Å | 1.26Å | Aromatic |
| N23 | N24 | sing | 1.29Å | 1.28Å | Aromatic |
| N22 | C21 | sing | 1.34Å | 1.34Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C25 | N24 | sing | 1.47Å | 1.42Å | |
| N24 | C20 | sing | 1.35Å | 1.35Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | C20 | doub | 1.35Å | 1.34Å | Aromatic |
| C21 | C50 | sing | 1.51Å | 1.52Å | |
| C50 | C51 | sing | 1.53Å | 1.51Å | |
| C51 | OB | sing | 1.43Å | 1.45Å | |
| OB | C8 | sing | 1.36Å | 1.38Å | |
| C5 | C4 | doub | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.42Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.42Å | 1.40Å | Aromatic |
| C7 | N11 | doub | 1.33Å | 1.35Å | Aromatic |
| C10 | N11 | sing | 1.32Å | 1.36Å | Aromatic |
| C10 | C | sing | 1.48Å | 1.38Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| C2 | N | sing | 1.39Å | 1.35Å | |
| C39 | H1 | sing | 1.08Å | 1.08Å | |
| C40 | H2 | sing | 1.08Å | 1.08Å | |
| N46 | H3 | sing | 0.97Å | 1.00Å | |
| N46 | H4 | sing | 0.97Å | 1.00Å | |
| C42 | H5 | sing | 1.08Å | 1.08Å | |
| C43 | H6 | sing | 1.08Å | 1.08Å | |
| N35 | H7 | sing | 0.97Å | 1.00Å | |
| C34 | H8 | sing | 1.09Å | 1.10Å | |
| C34 | H9 | sing | 1.09Å | 1.10Å | |
| C33 | H10 | sing | 1.08Å | 1.08Å | |
| C31 | H11 | sing | 1.08Å | 1.08Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C50 | H21 | sing | 1.09Å | 1.10Å | |
| C50 | H22 | sing | 1.09Å | 1.10Å | |
| C51 | H23 | sing | 1.09Å | 1.10Å | |
| C51 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.08Å | 1.08Å | |
| C | H26 | sing | 1.08Å | 1.08Å | |
| C5 | H27 | sing | 1.08Å | 1.08Å | |
| C4 | H28 | sing | 1.08Å | 1.08Å | |
| C3 | H29 | sing | 1.08Å | 1.08Å | |
| N | H30 | sing | 0.97Å | 1.00Å | |
| N | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O47 | S44 | N46 | 113.3° | 106.4° |
| O47 | S44 | C41 | 106.3° | 106.4° |
| O47 | S44 | O45 | 116.1° | 123.2° |
| N46 | S44 | C41 | 107.9° | 107.2° |
| N46 | S44 | O45 | 104.4° | 106.4° |
| S44 | N46 | H3 | 109.5° | 120.0° |
| S44 | N46 | H4 | 109.4° | 120.0° |
| C43 | C42 | C41 | 119.3° | 120.1° |
| C42 | C43 | C38 | 122.3° | 119.9° |
| C43 | C42 | H5 | 120.3° | 120.0° |
| C42 | C43 | H6 | 118.8° | 120.1° |
| C42 | C41 | S44 | 118.7° | 119.9° |
| C42 | C41 | C40 | 120.3° | 120.3° |
| C41 | C42 | H5 | 120.4° | 119.9° |
| C43 | C38 | C36 | 118.6° | 120.1° |
| C43 | C38 | C39 | 117.2° | 119.7° |
| C38 | C43 | H6 | 118.8° | 120.1° |
| C41 | S44 | O45 | 108.5° | 106.4° |
| S44 | C41 | C40 | 121.0° | 119.9° |
| C41 | C40 | C39 | 119.8° | 120.2° |
| C41 | C40 | H2 | 120.1° | 119.9° |
| O37 | C36 | C38 | 121.7° | 120.0° |
| O37 | C36 | N35 | 119.2° | 120.0° |
| C36 | C38 | C39 | 124.2° | 120.1° |
| C38 | C36 | N35 | 118.5° | 119.9° |
| C38 | C39 | C40 | 121.2° | 119.8° |
| C38 | C39 | H1 | 119.4° | 120.1° |
| C36 | N35 | C34 | 119.5° | 119.9° |
| C36 | N35 | H7 | 120.2° | 120.0° |
| C40 | C39 | H1 | 119.4° | 120.1° |
| C39 | C40 | H2 | 120.1° | 119.9° |
| N35 | C34 | C32 | 109.9° | 109.5° |
| C34 | N35 | H7 | 120.2° | 120.0° |
| N35 | C34 | H8 | 109.4° | 109.5° |
| N35 | C34 | H9 | 109.4° | 109.5° |
| C34 | C32 | C33 | 116.7° | 120.0° |
| C34 | C32 | C31 | 126.6° | 119.9° |
| C32 | C34 | H8 | 109.4° | 109.5° |
| C32 | C34 | H9 | 109.4° | 109.5° |
| C32 | C33 | C28 | 123.5° | 119.9° |
| C33 | C32 | C31 | 116.6° | 120.1° |
| C32 | C33 | H10 | 118.3° | 120.0° |
| C33 | C28 | O27 | 111.5° | 120.0° |
| C33 | C28 | C29 | 120.5° | 119.9° |
| C28 | C33 | H10 | 118.2° | 120.0° |
| C27 | O27 | C28 | 126.7° | 117.0° |
| O27 | C27 | C26 | 104.4° | 109.5° |
| O27 | C27 | H14 | 110.7° | 109.4° |
| O27 | C27 | H15 | 110.7° | 109.5° |
| O27 | C28 | C29 | 128.0° | 120.1° |
| C32 | C31 | C30 | 120.1° | 120.1° |
| C32 | C31 | H11 | 120.0° | 120.0° |
| C27 | C26 | C25 | 102.9° | 109.5° |
| C26 | C27 | H14 | 110.7° | 109.5° |
| C26 | C27 | H15 | 110.7° | 109.5° |
| C27 | C26 | H16 | 111.1° | 109.5° |
| C27 | C26 | H17 | 111.1° | 109.4° |
| C26 | C25 | N24 | 102.7° | 109.5° |
| C25 | C26 | H16 | 111.1° | 109.5° |
| C25 | C26 | H17 | 111.1° | 109.5° |
| C26 | C25 | H18 | 111.1° | 109.5° |
| C26 | C25 | H19 | 111.1° | 109.5° |
| C28 | C29 | C30 | 117.5° | 119.9° |
| C28 | C29 | H13 | 121.2° | 120.1° |
| N22 | N23 | N24 | 109.7° | 110.2° |
| N23 | N22 | C21 | 108.4° | 108.9° |
| N23 | N24 | C25 | 118.7° | 125.8° |
| N23 | N24 | C20 | 109.5° | 108.3° |
| N22 | C21 | C20 | 107.9° | 106.5° |
| N22 | C21 | C50 | 121.7° | 126.7° |
| C31 | C30 | C29 | 121.7° | 120.0° |
| C30 | C31 | H11 | 120.0° | 119.9° |
| C31 | C30 | H12 | 119.1° | 120.0° |
| C25 | N24 | C20 | 131.8° | 125.9° |
| N24 | C25 | H18 | 111.2° | 109.4° |
| N24 | C25 | H19 | 111.1° | 109.5° |
| N24 | C20 | C21 | 104.5° | 106.2° |
| N24 | C20 | H20 | 127.7° | 126.9° |
| C29 | C30 | H12 | 119.2° | 119.9° |
| C30 | C29 | H13 | 121.2° | 120.0° |
| C20 | C21 | C50 | 130.3° | 126.8° |
| C21 | C20 | H20 | 127.8° | 126.9° |
| C21 | C50 | C51 | 111.1° | 109.5° |
| C21 | C50 | H21 | 109.0° | 109.5° |
| C21 | C50 | H22 | 109.0° | 109.4° |
| C50 | C51 | OB | 111.6° | 109.4° |
| C51 | C50 | H21 | 109.1° | 109.5° |
| C51 | C50 | H22 | 109.1° | 109.5° |
| C50 | C51 | H23 | 108.9° | 109.5° |
| C50 | C51 | H24 | 108.9° | 109.4° |
| C51 | OB | C8 | 111.4° | 117.0° |
| OB | C51 | H23 | 108.9° | 109.5° |
| OB | C51 | H24 | 108.9° | 109.5° |
| OB | C8 | C6 | 114.1° | 121.0° |
| OB | C8 | C9 | 124.8° | 120.9° |
| C4 | C5 | C6 | 119.7° | 120.0° |
| C5 | C4 | C3 | 120.2° | 121.0° |
| C4 | C5 | H27 | 120.1° | 120.0° |
| C5 | C4 | H28 | 119.9° | 119.5° |
| C5 | C6 | C8 | 121.0° | 121.1° |
| C5 | C6 | C7 | 119.7° | 119.8° |
| C6 | C5 | H27 | 120.2° | 120.0° |
| C6 | C8 | C9 | 121.2° | 118.0° |
| C8 | C6 | C7 | 119.2° | 119.1° |
| C8 | C9 | C10 | 117.6° | 119.5° |
| C8 | C9 | H25 | 121.2° | 120.2° |
| C4 | C3 | C2 | 120.7° | 120.8° |
| C3 | C4 | H28 | 119.9° | 119.5° |
| C4 | C3 | H29 | 119.7° | 119.6° |
| C6 | C7 | C2 | 121.2° | 118.9° |
| C6 | C7 | N11 | 118.6° | 120.2° |
| C9 | C10 | N11 | 119.7° | 121.6° |
| C9 | C10 | C | 123.2° | 119.2° |
| C10 | C9 | H25 | 121.2° | 120.3° |
| C3 | C2 | C7 | 118.5° | 119.5° |
| C3 | C2 | N | 126.9° | 120.3° |
| C2 | C3 | H29 | 119.7° | 119.6° |
| C2 | C7 | N11 | 120.2° | 120.9° |
| C7 | C2 | N | 114.4° | 120.2° |
| C7 | N11 | C10 | 123.5° | 121.6° |
| N11 | C10 | C | 117.0° | 119.2° |
| C10 | C | O | 122.2° | 120.0° |
| C10 | C | H26 | 118.9° | 120.0° |
| O | C | H26 | 118.9° | 120.0° |
| C2 | N | H30 | 109.5° | 120.1° |
| C2 | N | H31 | 109.5° | 120.0° |
| H3 | N46 | H4 | 109.5° | 120.0° |
| H8 | C34 | H9 | 109.5° | 109.4° |
| H14 | C27 | H15 | 109.5° | 109.4° |
| H16 | C26 | H17 | 109.4° | 109.4° |
| H18 | C25 | H19 | 109.5° | 109.5° |
| H21 | C50 | H22 | 109.5° | 109.5° |
| H23 | C51 | H24 | 109.5° | 109.5° |
| H30 | N | H31 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O47 | S44 | N46 | C41 | 117.4° | 113.5° |
| O47 | S44 | N46 | O45 | 127.3° | 133.0° |
| O47 | S44 | C41 | C42 | 8.1° | 23.5° |
| O47 | S44 | C41 | O45 | 125.6° | 133.0° |
| O47 | S44 | C41 | C40 | 172.4° | 156.5° |
| O47 | S44 | N46 | H3 | 180.0° | 36.4° |
| O47 | S44 | N46 | H4 | 60.0° | 143.5° |
| N46 | S44 | C41 | C42 | 130.0° | 90.0° |
| N46 | S44 | C41 | O45 | 112.5° | 113.5° |
| N46 | S44 | C41 | C40 | 50.5° | 90.0° |
| S44 | N46 | H3 | H4 | 120.0° | 179.9° |
| C43 | C42 | C41 | H5 | 180.0° | 179.7° |
| C42 | C43 | C38 | H6 | 180.0° | 179.7° |
| C43 | C42 | C41 | S44 | 179.0° | 180.0° |
| C43 | C42 | C41 | C40 | 1.5° | 0.0° |
| C42 | C43 | C38 | C36 | 177.9° | 180.0° |
| C42 | C43 | C38 | C39 | 1.3° | 0.6° |
| C41 | C42 | C43 | C38 | 1.4° | 0.3° |
| C42 | C41 | S44 | C40 | 179.5° | 180.0° |
| C42 | C41 | S44 | O45 | 117.5° | 156.5° |
| C42 | C41 | C40 | C39 | 1.5° | 0.0° |
| C42 | C41 | C40 | H2 | 178.5° | 180.0° |
| C41 | C42 | C43 | H6 | 178.6° | 180.0° |
| C43 | C38 | C36 | O37 | 0.6° | 0.1° |
| C43 | C38 | C36 | C39 | 176.4° | 179.4° |
| C43 | C38 | C36 | N35 | 170.6° | 180.0° |
| C43 | C38 | C39 | C40 | 1.2° | 0.6° |
| C43 | C38 | C39 | H1 | 178.8° | 179.7° |
| C38 | C43 | C42 | H5 | 178.5° | 180.0° |
| S44 | C41 | C40 | C39 | 179.0° | 180.0° |
| S44 | C41 | C40 | H2 | 1.0° | 0.0° |
| C41 | S44 | N46 | H3 | 62.6° | 150.0° |
| C41 | S44 | N46 | H4 | 177.4° | 30.0° |
| S44 | C41 | C42 | H5 | 1.0° | 0.3° |
| O45 | S44 | C41 | C40 | 62.0° | 23.5° |
| O45 | S44 | N46 | H3 | 52.7° | 96.5° |
| O45 | S44 | N46 | H4 | 67.3° | 83.6° |
| C41 | C40 | C39 | C38 | 1.3° | 0.3° |
| C41 | C40 | C39 | H2 | 180.0° | 180.0° |
| C41 | C40 | C39 | H1 | 178.7° | 180.0° |
| C40 | C41 | C42 | H5 | 178.5° | 179.7° |
| O37 | C36 | C38 | N35 | 171.2° | 179.9° |
| O37 | C36 | C38 | C39 | 177.0° | 179.5° |
| O37 | C36 | N35 | C34 | 0.9° | 0.0° |
| O37 | C36 | N35 | H7 | 179.1° | 180.0° |
| C36 | C38 | C39 | C40 | 177.7° | 180.0° |
| C38 | C36 | N35 | C34 | 170.5° | 180.0° |
| C36 | C38 | C39 | H1 | 2.3° | 0.3° |
| C36 | C38 | C43 | H6 | 2.1° | 0.3° |
| C38 | C36 | N35 | H7 | 9.5° | 0.0° |
| C39 | C38 | C36 | N35 | 5.8° | 0.6° |
| C38 | C39 | C40 | H1 | 180.0° | 179.7° |
| C38 | C39 | C40 | H2 | 178.7° | 179.7° |
| C39 | C38 | C43 | H6 | 178.8° | 179.7° |
| C36 | N35 | C34 | H7 | 180.0° | 180.0° |
| C36 | N35 | C34 | C32 | 74.7° | 180.0° |
| C36 | N35 | C34 | H8 | 165.2° | 60.0° |
| C36 | N35 | C34 | H9 | 45.3° | 60.0° |
| N35 | C34 | C32 | H8 | 120.0° | 120.0° |
| N35 | C34 | C32 | H9 | 120.1° | 120.1° |
| N35 | C34 | C32 | C33 | 149.4° | 89.7° |
| N35 | C34 | C32 | C31 | 32.5° | 90.0° |
| N35 | C34 | H8 | H9 | 119.8° | 120.0° |
| C34 | C32 | C33 | C31 | 178.3° | 179.7° |
| C34 | C32 | C33 | C28 | 178.1° | 179.9° |
| C34 | C32 | C31 | C30 | 178.6° | 180.0° |
| C32 | C34 | N35 | H7 | 105.3° | 0.0° |
| C32 | C34 | H8 | H9 | 119.8° | 120.0° |
| C34 | C32 | C33 | H10 | 1.9° | 0.0° |
| C34 | C32 | C31 | H11 | 1.4° | 0.0° |
| C32 | C33 | C28 | H10 | 180.0° | 180.0° |
| C32 | C33 | C28 | O27 | 179.4° | 180.0° |
| C32 | C33 | C28 | C29 | 0.5° | 0.0° |
| C33 | C32 | C31 | C30 | 0.4° | 0.3° |
| C33 | C32 | C34 | H8 | 90.6° | 150.3° |
| C33 | C32 | C34 | H9 | 29.3° | 30.3° |
| C33 | C32 | C31 | H11 | 179.6° | 179.7° |
| C33 | C28 | O27 | C27 | 179.3° | 179.9° |
| C33 | C28 | O27 | C29 | 179.9° | 180.0° |
| C28 | C33 | C32 | C31 | 0.3° | 0.2° |
| C33 | C28 | C29 | C30 | 0.1° | 0.2° |
| C33 | C28 | C29 | H13 | 179.9° | 180.0° |
| O27 | C27 | C26 | H14 | 119.2° | 120.0° |
| O27 | C27 | C26 | H15 | 119.2° | 120.1° |
| O27 | C27 | C26 | C25 | 106.0° | 180.0° |
| C27 | O27 | C28 | C29 | 0.6° | 0.1° |
| O27 | C27 | H14 | H15 | 122.4° | 120.0° |
| O27 | C27 | C26 | H16 | 13.0° | 60.0° |
| O27 | C27 | C26 | H17 | 135.1° | 59.9° |
| C28 | O27 | C27 | C26 | 142.2° | 180.0° |
| O27 | C28 | C29 | C30 | 179.8° | 179.8° |
| O27 | C28 | C33 | H10 | 0.6° | 0.0° |
| O27 | C28 | C29 | H13 | 0.2° | 0.0° |
| C28 | O27 | C27 | H14 | 98.7° | 60.0° |
| C28 | O27 | C27 | H15 | 23.0° | 59.9° |
| C32 | C31 | C30 | H11 | 180.0° | 180.0° |
| C32 | C31 | C30 | C29 | 0.9° | 0.0° |
| C31 | C32 | C34 | H8 | 87.6° | 30.0° |
| C31 | C32 | C34 | H9 | 152.5° | 150.0° |
| C31 | C32 | C33 | H10 | 179.7° | 179.7° |
| C32 | C31 | C30 | H12 | 179.1° | 180.0° |
| C27 | C26 | C25 | H16 | 118.9° | 120.0° |
| C27 | C26 | C25 | H17 | 119.0° | 120.0° |
| C27 | C26 | C25 | N24 | 83.8° | 180.0° |
| C26 | C27 | H14 | H15 | 122.3° | 120.0° |
| C27 | C26 | H16 | H17 | 123.0° | 119.9° |
| C27 | C26 | C25 | H18 | 157.2° | 60.0° |
| C27 | C26 | C25 | H19 | 35.1° | 60.0° |
| C26 | C25 | N24 | N23 | 79.6° | 55.4° |
| C26 | C25 | N24 | H18 | 118.9° | 120.0° |
| C26 | C25 | N24 | H19 | 118.9° | 120.0° |
| C26 | C25 | N24 | C20 | 98.5° | 125.0° |
| C25 | C26 | C27 | H14 | 134.8° | 60.0° |
| C25 | C26 | C27 | H15 | 13.2° | 59.9° |
| C25 | C26 | H16 | H17 | 123.0° | 120.0° |
| C26 | C25 | H18 | H19 | 123.1° | 120.0° |
| C28 | C29 | C30 | C31 | 0.6° | 0.2° |
| C28 | C29 | C30 | H13 | 180.0° | 179.8° |
| C29 | C28 | C33 | H10 | 179.5° | 180.0° |
| C28 | C29 | C30 | H12 | 179.3° | 179.7° |
| N22 | N23 | N24 | C25 | 179.6° | 180.0° |
| N22 | N23 | N24 | C20 | 1.9° | 0.3° |
| N23 | N22 | C21 | C20 | 1.1° | 0.0° |
| N23 | N22 | C21 | C50 | 175.7° | 180.0° |
| N24 | N23 | N22 | C21 | 1.9° | 0.2° |
| N23 | N24 | C25 | C20 | 178.1° | 179.6° |
| N23 | N24 | C20 | C21 | 1.2° | 0.3° |
| N23 | N24 | C25 | H18 | 39.3° | 175.3° |
| N23 | N24 | C25 | H19 | 161.5° | 64.7° |
| N23 | N24 | C20 | H20 | 178.8° | 179.7° |
| N22 | C21 | C20 | N24 | 0.1° | 0.2° |
| N22 | C21 | C20 | C50 | 176.4° | 180.0° |
| N22 | C21 | C50 | C51 | 128.8° | 55.0° |
| N22 | C21 | C20 | H20 | 179.9° | 179.8° |
| N22 | C21 | C50 | H21 | 110.9° | 65.0° |
| N22 | C21 | C50 | H22 | 8.6° | 175.0° |
| C31 | C30 | C29 | H12 | 180.0° | 179.9° |
| C31 | C30 | C29 | H13 | 179.4° | 180.0° |
| C25 | N24 | C20 | C21 | 179.4° | 180.0° |
| N24 | C25 | C26 | H16 | 35.1° | 60.0° |
| N24 | C25 | C26 | H17 | 157.2° | 60.0° |
| N24 | C25 | H18 | H19 | 123.1° | 120.0° |
| C25 | N24 | C20 | H20 | 0.6° | 0.1° |
| N24 | C20 | C21 | H20 | 180.0° | 179.9° |
| N24 | C20 | C21 | C50 | 176.5° | 179.8° |
| C20 | N24 | C25 | H18 | 142.6° | 5.1° |
| C20 | N24 | C25 | H19 | 20.4° | 115.0° |
| C29 | C30 | C31 | H11 | 179.1° | 180.0° |
| C20 | C21 | C50 | C51 | 55.2° | 125.0° |
| C20 | C21 | C50 | H21 | 65.0° | 115.0° |
| C20 | C21 | C50 | H22 | 175.5° | 5.0° |
| C21 | C50 | C51 | H21 | 120.2° | 120.0° |
| C21 | C50 | C51 | H22 | 120.2° | 120.0° |
| C21 | C50 | C51 | OB | 56.2° | 180.0° |
| C50 | C21 | C20 | H20 | 3.5° | 0.1° |
| C21 | C50 | H21 | H22 | 119.2° | 119.9° |
| C21 | C50 | C51 | H23 | 176.5° | 60.0° |
| C21 | C50 | C51 | H24 | 64.2° | 60.0° |
| C50 | C51 | OB | H23 | 120.3° | 120.0° |
| C50 | C51 | OB | H24 | 120.3° | 120.0° |
| C50 | C51 | OB | C8 | 168.4° | 180.0° |
| C51 | C50 | H21 | H22 | 119.3° | 120.1° |
| C50 | C51 | H23 | H24 | 119.0° | 120.0° |
| C51 | OB | C8 | C6 | 175.9° | 180.0° |
| C51 | OB | C8 | C9 | 4.6° | 0.3° |
| OB | C51 | C50 | H21 | 64.1° | 60.0° |
| OB | C51 | C50 | H22 | 176.4° | 60.0° |
| OB | C51 | H23 | H24 | 119.0° | 120.1° |
| OB | C8 | C6 | C5 | 0.9° | 0.0° |
| OB | C8 | C6 | C9 | 179.5° | 179.7° |
| OB | C8 | C6 | C7 | 178.7° | 179.8° |
| OB | C8 | C9 | C10 | 179.8° | 180.0° |
| C8 | OB | C51 | H23 | 48.0° | 60.1° |
| C8 | OB | C51 | H24 | 71.3° | 60.0° |
| OB | C8 | C9 | H25 | 0.2° | 0.0° |
| C4 | C5 | C6 | H27 | 180.0° | 179.9° |
| C4 | C5 | C6 | C8 | 179.6° | 180.0° |
| C5 | C4 | C3 | H28 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.8° | 0.3° |
| C5 | C4 | C3 | C2 | 1.2° | 0.6° |
| C5 | C4 | C3 | H29 | 178.8° | 180.0° |
| C5 | C6 | C8 | C7 | 179.6° | 179.7° |
| C5 | C6 | C8 | C9 | 179.6° | 179.7° |
| C6 | C5 | C4 | C3 | 0.9° | 0.0° |
| C5 | C6 | C7 | C2 | 1.0° | 0.0° |
| C5 | C6 | C7 | N11 | 179.2° | 179.8° |
| C6 | C5 | C4 | H28 | 179.0° | 180.0° |
| C6 | C8 | C9 | C10 | 0.8° | 0.3° |
| C8 | C6 | C7 | C2 | 179.4° | 179.7° |
| C8 | C6 | C7 | N11 | 0.4° | 0.5° |
| C6 | C8 | C9 | H25 | 179.2° | 179.7° |
| C8 | C6 | C5 | H27 | 0.4° | 0.1° |
| C9 | C8 | C6 | C7 | 0.8° | 0.5° |
| C8 | C9 | C10 | H25 | 180.0° | 180.0° |
| C8 | C9 | C10 | N11 | 3.5° | 0.0° |
| C8 | C9 | C10 | C | 179.7° | 180.0° |
| C4 | C3 | C2 | H29 | 180.0° | 179.4° |
| C4 | C3 | C2 | C7 | 1.3° | 0.8° |
| C4 | C3 | C2 | N | 175.6° | 180.0° |
| C3 | C4 | C5 | H27 | 179.1° | 180.0° |
| C6 | C7 | C2 | C3 | 1.2° | 0.6° |
| C6 | C7 | C2 | N11 | 179.8° | 179.8° |
| C6 | C7 | N11 | C10 | 3.3° | 0.2° |
| C6 | C7 | C2 | N | 176.3° | 179.8° |
| C7 | C6 | C5 | H27 | 179.2° | 179.8° |
| C9 | C10 | N11 | C7 | 5.0° | 0.0° |
| C9 | C10 | N11 | C | 176.4° | 180.0° |
| C9 | C10 | C | O | 33.0° | 0.0° |
| C9 | C10 | C | H26 | 147.0° | 180.0° |
| C3 | C2 | C7 | N | 175.0° | 179.2° |
| C3 | C2 | C7 | N11 | 179.0° | 179.2° |
| C2 | C3 | C4 | H28 | 178.8° | 179.5° |
| C3 | C2 | N | H30 | 180.0° | 179.1° |
| C3 | C2 | N | H31 | 60.0° | 0.8° |
| C2 | C7 | N11 | C10 | 176.5° | 180.0° |
| C7 | C2 | C3 | H29 | 178.7° | 179.8° |
| C7 | C2 | N | H30 | 5.5° | 0.1° |
| C7 | C2 | N | H31 | 125.5° | 180.0° |
| C7 | N11 | C10 | C | 178.6° | 180.0° |
| N11 | C7 | C2 | N | 4.0° | 0.0° |
| N11 | C10 | C | O | 143.3° | 180.0° |
| N11 | C10 | C9 | H25 | 176.5° | 180.0° |
| N11 | C10 | C | H26 | 36.7° | 0.0° |
| C10 | C | O | H26 | 180.0° | 180.0° |
| C | C10 | C9 | H25 | 0.3° | 0.0° |
| N | C2 | C3 | H29 | 4.4° | 0.5° |
| C2 | N | H30 | H31 | 120.0° | 179.9° |
| H1 | C39 | C40 | H2 | 1.3° | 0.0° |
| H5 | C42 | C43 | H6 | 1.4° | 0.3° |
| H7 | N35 | C34 | H8 | 14.8° | 120.0° |
| H7 | N35 | C34 | H9 | 134.7° | 120.0° |
| H11 | C31 | C30 | H12 | 0.9° | 0.0° |
| H12 | C30 | C29 | H13 | 0.7° | 0.0° |
| H14 | C27 | C26 | H16 | 106.2° | 180.0° |
| H14 | C27 | C26 | H17 | 15.9° | 60.0° |
| H15 | C27 | C26 | H16 | 132.2° | 60.1° |
| H15 | C27 | C26 | H17 | 105.7° | 180.0° |
| H16 | C26 | C25 | H18 | 83.8° | 179.9° |
| H16 | C26 | C25 | H19 | 154.0° | 60.1° |
| H17 | C26 | C25 | H18 | 38.3° | 60.0° |
| H17 | C26 | C25 | H19 | 83.9° | 180.0° |
| H21 | C50 | C51 | H23 | 56.3° | 180.0° |
| H21 | C50 | C51 | H24 | 175.6° | 60.0° |
| H22 | C50 | C51 | H23 | 63.3° | 60.0° |
| H22 | C50 | C51 | H24 | 56.1° | 180.0° |
| H27 | C5 | C4 | H28 | 1.0° | 0.0° |
| H28 | C4 | C3 | H29 | 1.2° | 0.0° |
