TDJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | S49 | sing | 1.78Å | 1.78Å | |
| C1 | C50 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.38Å | 1.38Å | |
| C11 | C15 | sing | 1.40Å | 1.40Å | |
| C11 | RU | sing | 2.22Å | 2.22Å | |
| C12 | C13 | sing | 1.39Å | 1.39Å | |
| C12 | RU | sing | 2.19Å | 2.19Å | |
| C13 | C14 | sing | 1.37Å | 1.37Å | |
| C13 | RU | sing | 2.20Å | 2.20Å | |
| C14 | C15 | sing | 1.37Å | 1.37Å | |
| C14 | RU | sing | 2.20Å | 2.20Å | |
| C15 | RU | sing | 2.22Å | 2.22Å | |
| C16 | C17 | sing | 1.40Å | 1.40Å | |
| C16 | C20 | sing | 1.40Å | 1.40Å | |
| C16 | RU | sing | 2.21Å | 2.21Å | |
| C17 | C18 | sing | 1.39Å | 1.39Å | |
| C17 | RU | sing | 2.19Å | 2.19Å | |
| C18 | C24 | sing | 1.49Å | 1.49Å | |
| C18 | RU | sing | 2.18Å | 2.18Å | |
| C18 | C19 | sing | 1.41Å | 1.41Å | |
| C20 | RU | sing | 2.21Å | 2.21Å | |
| C20 | C19 | sing | 1.39Å | 1.39Å | |
| C31 | C34 | sing | 1.49Å | 1.49Å | |
| C31 | C32 | sing | 1.44Å | 1.44Å | |
| C31 | N30 | sing | 1.43Å | 1.43Å | |
| C34 | S49 | sing | 1.79Å | 1.79Å | |
| C34 | N33 | sing | 1.47Å | 1.47Å | |
| O67 | C32 | doub | 1.27Å | 1.27Å | |
| C50 | C52 | doub | 1.50Å | 1.50Å | |
| C50 | C51 | sing | 1.36Å | 1.36Å | |
| C51 | C63 | sing | 1.49Å | 1.49Å | |
| C51 | N33 | doub | 1.35Å | 1.35Å | |
| C63 | O65 | doub | 1.23Å | 1.23Å | |
| C63 | O64 | sing | 1.25Å | 1.25Å | |
| N30 | C27 | sing | 1.33Å | 1.33Å | |
| C27 | O29 | doub | 1.21Å | 1.21Å | |
| C27 | C26 | sing | 1.50Å | 1.50Å | |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | O28 | doub | 1.22Å | 1.22Å | |
| RU | C19 | sing | 2.18Å | 2.18Å | |
| C32 | O1 | sing | 1.35Å | 1.35Å | |
| C1 | H1 | sing | 1.10Å | 1.10Å | |
| C1 | H2 | sing | 1.10Å | 1.10Å | |
| C31 | H11 | sing | 1.10Å | 1.10Å | |
| C34 | H12 | sing | 1.10Å | 1.10Å | |
| C52 | H14 | sing | 1.08Å | 1.08Å | |
| C52 | H15 | sing | 1.08Å | 1.08Å | |
| O64 | H17 | sing | 0.95Å | 0.95Å | |
| N30 | H18 | sing | 1.00Å | 1.00Å | |
| C26 | H19 | sing | 1.10Å | 1.10Å | |
| C26 | H20 | sing | 1.10Å | 1.10Å | |
| C25 | H21 | sing | 1.10Å | 1.10Å | |
| C25 | H22 | sing | 1.10Å | 1.10Å | |
| O1 | H24 | sing | 0.95Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S49 | C1 | C50 | 112.3° | 112.3° |
| C1 | S49 | C34 | 107.6° | 107.6° |
| S49 | C1 | H1 | 108.8° | 108.8° |
| S49 | C1 | H2 | 108.7° | 108.7° |
| C1 | C50 | C52 | 116.5° | 116.5° |
| C1 | C50 | C51 | 121.9° | 121.9° |
| C50 | C1 | H1 | 108.7° | 108.7° |
| C50 | C1 | H2 | 108.8° | 108.8° |
| C12 | C11 | C15 | 106.9° | 106.9° |
| C12 | C11 | RU | 70.8° | 70.8° |
| C11 | C12 | C13 | 108.3° | 108.3° |
| C11 | C12 | RU | 72.7° | 72.7° |
| C15 | C11 | RU | 71.7° | 71.7° |
| C11 | C15 | C14 | 108.4° | 108.4° |
| C11 | C15 | RU | 71.7° | 71.7° |
| C11 | RU | C12 | 36.4° | 36.4° |
| C11 | RU | C13 | 61.1° | 61.1° |
| C11 | RU | C14 | 61.0° | 61.0° |
| C11 | RU | C15 | 36.7° | 36.7° |
| C11 | RU | C16 | 113.8° | 113.8° |
| C11 | RU | C17 | 130.6° | 130.6° |
| C11 | RU | C18 | 164.5° | 164.5° |
| C11 | RU | C20 | 124.5° | 124.5° |
| C11 | RU | C19 | 155.9° | 155.9° |
| C13 | C12 | RU | 71.8° | 71.8° |
| C12 | C13 | C14 | 108.0° | 108.0° |
| C12 | C13 | RU | 71.3° | 71.3° |
| C12 | RU | C13 | 36.8° | 36.8° |
| C12 | RU | C14 | 60.9° | 60.9° |
| C12 | RU | C15 | 60.7° | 60.7° |
| C12 | RU | C16 | 139.4° | 139.4° |
| C12 | RU | C17 | 166.9° | 166.9° |
| C12 | RU | C18 | 154.8° | 154.8° |
| C12 | RU | C20 | 124.1° | 124.1° |
| C12 | RU | C19 | 130.6° | 130.6° |
| C14 | C13 | RU | 72.0° | 72.0° |
| C13 | C14 | C15 | 108.4° | 108.4° |
| C13 | C14 | RU | 71.7° | 71.7° |
| C13 | RU | C14 | 36.2° | 36.2° |
| C13 | RU | C15 | 60.4° | 60.4° |
| C13 | RU | C16 | 174.8° | 174.8° |
| C13 | RU | C17 | 145.1° | 145.1° |
| C13 | RU | C18 | 122.3° | 122.3° |
| C13 | RU | C20 | 145.9° | 145.9° |
| C13 | RU | C19 | 123.4° | 123.4° |
| C15 | C14 | RU | 72.5° | 72.5° |
| C14 | C15 | RU | 71.4° | 71.4° |
| C14 | RU | C15 | 36.1° | 36.1° |
| C14 | RU | C16 | 141.7° | 141.7° |
| C14 | RU | C17 | 113.9° | 113.9° |
| C14 | RU | C18 | 111.7° | 111.7° |
| C14 | RU | C20 | 174.3° | 174.3° |
| C14 | RU | C19 | 138.6° | 138.6° |
| C15 | RU | C16 | 115.2° | 115.2° |
| C15 | RU | C17 | 107.6° | 107.6° |
| C15 | RU | C18 | 129.3° | 129.3° |
| C15 | RU | C20 | 147.1° | 147.1° |
| C15 | RU | C19 | 167.1° | 167.1° |
| C17 | C16 | C20 | 107.7° | 107.7° |
| C17 | C16 | RU | 70.7° | 70.7° |
| C16 | C17 | C18 | 109.1° | 109.1° |
| C16 | C17 | RU | 72.2° | 72.2° |
| C20 | C16 | RU | 71.5° | 71.5° |
| C16 | C20 | RU | 71.6° | 71.6° |
| C16 | C20 | C19 | 107.8° | 107.8° |
| C16 | RU | C17 | 37.1° | 37.1° |
| C16 | RU | C18 | 62.4° | 62.4° |
| C16 | RU | C20 | 36.9° | 36.9° |
| C16 | RU | C19 | 61.6° | 61.6° |
| C18 | C17 | RU | 71.1° | 71.1° |
| C17 | C18 | C24 | 125.6° | 125.6° |
| C17 | C18 | RU | 71.8° | 71.8° |
| C17 | C18 | C19 | 106.3° | 106.3° |
| C17 | RU | C18 | 37.1° | 37.1° |
| C17 | RU | C20 | 61.8° | 61.8° |
| C17 | RU | C19 | 61.8° | 61.8° |
| C24 | C18 | RU | 120.4° | 120.4° |
| C24 | C18 | C19 | 128.0° | 128.0° |
| C18 | C24 | C25 | 115.8° | 115.8° |
| C18 | C24 | O28 | 121.2° | 121.2° |
| RU | C18 | C19 | 71.2° | 71.2° |
| C18 | RU | C20 | 62.6° | 62.6° |
| C18 | RU | C19 | 37.8° | 37.8° |
| C18 | C19 | C20 | 109.0° | 109.0° |
| C18 | C19 | RU | 71.0° | 71.0° |
| RU | C20 | C19 | 70.8° | 70.8° |
| C20 | RU | C19 | 36.8° | 36.8° |
| C20 | C19 | RU | 72.4° | 72.4° |
| C34 | C31 | C32 | 112.8° | 112.8° |
| C34 | C31 | N30 | 121.9° | 121.9° |
| C31 | C34 | S49 | 119.9° | 119.9° |
| C31 | C34 | N33 | 98.5° | 98.5° |
| C34 | C31 | H11 | 99.5° | 99.5° |
| C31 | C34 | H12 | 109.0° | 109.0° |
| C32 | C31 | N30 | 116.9° | 116.9° |
| C31 | C32 | O67 | 110.8° | 110.8° |
| C31 | C32 | O1 | 123.7° | 123.7° |
| C32 | C31 | H11 | 99.8° | 99.8° |
| C31 | N30 | C27 | 127.9° | 127.9° |
| N30 | C31 | H11 | 99.8° | 99.8° |
| C31 | N30 | H18 | 116.1° | 116.1° |
| S49 | C34 | N33 | 114.4° | 114.4° |
| S49 | C34 | H12 | 105.7° | 105.7° |
| C34 | N33 | C51 | 128.5° | 128.5° |
| N33 | C34 | H12 | 109.1° | 109.1° |
| O67 | C32 | O1 | 120.4° | 120.4° |
| C52 | C50 | C51 | 121.5° | 121.5° |
| C50 | C52 | H14 | 120.0° | 120.0° |
| C50 | C52 | H15 | 120.0° | 120.0° |
| C50 | C51 | C63 | 121.1° | 121.1° |
| C50 | C51 | N33 | 123.8° | 123.8° |
| C63 | C51 | N33 | 114.9° | 114.9° |
| C51 | C63 | O65 | 122.0° | 122.0° |
| C51 | C63 | O64 | 119.5° | 119.5° |
| O65 | C63 | O64 | 118.5° | 118.5° |
| C63 | O64 | H17 | 109.5° | 109.5° |
| N30 | C27 | O29 | 126.2° | 126.2° |
| N30 | C27 | C26 | 111.6° | 111.6° |
| C27 | N30 | H18 | 116.1° | 116.1° |
| O29 | C27 | C26 | 122.2° | 122.2° |
| C27 | C26 | C25 | 111.1° | 111.1° |
| C27 | C26 | H19 | 109.1° | 109.1° |
| C27 | C26 | H20 | 109.1° | 109.1° |
| C26 | C25 | C24 | 103.3° | 103.3° |
| C25 | C26 | H19 | 109.1° | 109.1° |
| C25 | C26 | H20 | 109.1° | 109.1° |
| C26 | C25 | H21 | 111.0° | 111.0° |
| C26 | C25 | H22 | 111.0° | 111.0° |
| C25 | C24 | O28 | 123.0° | 123.0° |
| C24 | C25 | H21 | 111.0° | 111.0° |
| C24 | C25 | H22 | 111.0° | 111.0° |
| C32 | O1 | H24 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H14 | C52 | H15 | 120.0° | 120.0° |
| H19 | C26 | H20 | 109.5° | 109.4° |
| H21 | C25 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S49 | C1 | C50 | H1 | 120.4° | 120.4° |
| S49 | C1 | C50 | H2 | 120.4° | 120.4° |
| C1 | S49 | C34 | C31 | 124.3° | 124.3° |
| C1 | S49 | C34 | N33 | 7.7° | 7.7° |
| S49 | C1 | C50 | C52 | 142.1° | 142.1° |
| S49 | C1 | C50 | C51 | 40.4° | 40.4° |
| S49 | C1 | H1 | H2 | 118.7° | 118.7° |
| C1 | S49 | C34 | H12 | 112.4° | 112.4° |
| C50 | C1 | S49 | C34 | 29.5° | 29.5° |
| C1 | C50 | C52 | C51 | 177.5° | 177.5° |
| C1 | C50 | C51 | C63 | 152.3° | 152.3° |
| C1 | C50 | C51 | N33 | 23.6° | 23.6° |
| C50 | C1 | H1 | H2 | 118.7° | 118.7° |
| C1 | C50 | C52 | H14 | 177.5° | 177.5° |
| C1 | C50 | C52 | H15 | 2.5° | 2.5° |
| C12 | C11 | C15 | RU | 62.5° | 62.5° |
| C11 | C12 | C13 | RU | 64.0° | 64.0° |
| C11 | C12 | C13 | C14 | 0.9° | 0.9° |
| C12 | C11 | C15 | C14 | 0.1° | 0.1° |
| C11 | C12 | RU | C14 | 79.6° | 79.6° |
| C11 | C12 | RU | C16 | 57.5° | 57.5° |
| C11 | C12 | RU | C17 | 9.4° | 9.4° |
| C11 | C12 | RU | C18 | 158.8° | 158.8° |
| C11 | C12 | RU | C20 | 103.5° | 103.5° |
| C12 | C11 | RU | C19 | 69.9° | 69.9° |
| C15 | C11 | C12 | C13 | 0.4° | 0.4° |
| C11 | C15 | C14 | C13 | 0.7° | 0.7° |
| C11 | C15 | RU | C13 | 80.2° | 80.2° |
| C11 | C15 | C14 | RU | 62.5° | 62.5° |
| C11 | C15 | RU | C16 | 96.6° | 96.6° |
| C11 | C15 | RU | C17 | 135.8° | 135.8° |
| C11 | C15 | RU | C18 | 170.5° | 170.5° |
| C11 | C15 | RU | C20 | 70.8° | 70.8° |
| C15 | C11 | RU | C19 | 174.0° | 174.0° |
| C11 | RU | C14 | C13 | 79.6° | 79.6° |
| C11 | RU | C13 | C16 | 9.3° | 9.3° |
| C11 | RU | C13 | C17 | 120.4° | 120.4° |
| C11 | RU | C13 | C18 | 162.4° | 162.4° |
| C11 | RU | C13 | C20 | 109.7° | 109.7° |
| C11 | RU | C13 | C19 | 152.2° | 152.2° |
| C11 | RU | C14 | C16 | 92.4° | 92.4° |
| C11 | RU | C14 | C17 | 124.6° | 124.6° |
| C11 | RU | C14 | C18 | 164.9° | 164.9° |
| C11 | RU | C14 | C20 | 164.8° | 164.8° |
| C11 | RU | C14 | C19 | 161.6° | 161.6° |
| C11 | RU | C17 | C16 | 75.5° | 75.5° |
| C11 | RU | C20 | C16 | 84.3° | 84.3° |
| C11 | RU | C16 | C18 | 163.3° | 163.3° |
| C11 | RU | C16 | C19 | 153.6° | 153.6° |
| C11 | RU | C18 | C17 | 42.7° | 42.7° |
| C11 | RU | C17 | C20 | 112.8° | 112.8° |
| C11 | RU | C17 | C19 | 154.7° | 154.7° |
| C11 | RU | C18 | C24 | 78.5° | 78.5° |
| C11 | RU | C18 | C20 | 121.3° | 121.3° |
| C11 | RU | C18 | C19 | 157.8° | 157.8° |
| C11 | RU | C20 | C19 | 158.5° | 158.5° |
| C12 | C13 | C14 | RU | 62.7° | 62.7° |
| C12 | C13 | C14 | C15 | 0.9° | 0.9° |
| C12 | C13 | RU | C15 | 79.6° | 79.6° |
| C12 | C13 | RU | C16 | 46.6° | 46.6° |
| C12 | C13 | RU | C17 | 157.7° | 157.7° |
| C12 | C13 | RU | C18 | 160.2° | 160.2° |
| C12 | C13 | RU | C20 | 72.4° | 72.4° |
| C13 | C12 | RU | C19 | 93.7° | 93.7° |
| C12 | RU | C15 | C14 | 79.8° | 79.8° |
| C12 | RU | C14 | C16 | 134.3° | 134.3° |
| C12 | RU | C14 | C17 | 166.5° | 166.5° |
| C12 | RU | C14 | C18 | 153.2° | 153.2° |
| C12 | RU | C14 | C20 | 153.3° | 153.3° |
| C12 | RU | C14 | C19 | 119.7° | 119.7° |
| C12 | RU | C15 | C16 | 134.3° | 134.3° |
| C12 | RU | C15 | C17 | 173.5° | 173.5° |
| C12 | RU | C15 | C18 | 151.8° | 151.8° |
| C12 | RU | C15 | C20 | 108.5° | 108.5° |
| C12 | RU | C15 | C19 | 153.3° | 153.3° |
| C12 | RU | C17 | C16 | 82.9° | 82.9° |
| C12 | RU | C20 | C16 | 128.7° | 128.7° |
| C12 | RU | C16 | C18 | 163.5° | 163.5° |
| C12 | RU | C16 | C19 | 120.4° | 120.4° |
| C12 | RU | C18 | C17 | 168.9° | 168.9° |
| C12 | RU | C17 | C20 | 120.1° | 120.1° |
| C12 | RU | C17 | C19 | 162.1° | 162.1° |
| C12 | RU | C18 | C24 | 47.7° | 47.7° |
| C12 | RU | C18 | C20 | 112.5° | 112.5° |
| C12 | RU | C18 | C19 | 75.9° | 75.9° |
| C12 | RU | C20 | C19 | 114.0° | 114.0° |
| C13 | C14 | C15 | RU | 63.2° | 63.2° |
| C13 | C14 | RU | C16 | 172.1° | 172.1° |
| C13 | C14 | RU | C17 | 155.8° | 155.8° |
| C13 | C14 | RU | C18 | 115.5° | 115.5° |
| C13 | C14 | RU | C20 | 115.6° | 115.6° |
| C14 | C13 | RU | C19 | 128.3° | 128.3° |
| C13 | RU | C15 | C16 | 176.9° | 176.9° |
| C13 | RU | C15 | C17 | 144.0° | 144.0° |
| C13 | RU | C15 | C18 | 109.2° | 109.2° |
| C13 | RU | C15 | C20 | 151.1° | 151.1° |
| C13 | RU | C15 | C19 | 110.8° | 110.8° |
| C13 | RU | C17 | C16 | 171.9° | 171.9° |
| C13 | RU | C20 | C16 | 172.4° | 172.4° |
| C13 | RU | C16 | C18 | 154.5° | 154.5° |
| C13 | RU | C16 | C19 | 162.5° | 162.5° |
| C13 | RU | C18 | C17 | 140.5° | 140.5° |
| C13 | RU | C17 | C20 | 150.8° | 150.8° |
| C13 | RU | C17 | C19 | 108.8° | 108.8° |
| C13 | RU | C18 | C24 | 19.3° | 19.3° |
| C13 | RU | C18 | C20 | 140.9° | 140.9° |
| C13 | RU | C18 | C19 | 104.3° | 104.3° |
| C13 | RU | C20 | C19 | 70.4° | 70.4° |
| C14 | C15 | RU | C16 | 145.8° | 145.8° |
| C14 | C15 | RU | C17 | 106.7° | 106.7° |
| C14 | C15 | RU | C18 | 71.9° | 71.9° |
| C14 | C15 | RU | C20 | 171.6° | 171.6° |
| C15 | C14 | RU | C19 | 161.1° | 161.1° |
| C14 | RU | C17 | C16 | 146.9° | 146.9° |
| C14 | RU | C20 | C16 | 79.6° | 79.6° |
| C14 | RU | C16 | C18 | 90.6° | 90.6° |
| C14 | RU | C16 | C19 | 133.6° | 133.6° |
| C14 | RU | C18 | C17 | 101.4° | 101.4° |
| C14 | RU | C17 | C20 | 175.8° | 175.8° |
| C14 | RU | C17 | C19 | 133.8° | 133.8° |
| C14 | RU | C18 | C24 | 19.8° | 19.8° |
| C14 | RU | C18 | C20 | 180.0° | 180.0° |
| C14 | RU | C18 | C19 | 143.5° | 143.5° |
| C14 | RU | C20 | C19 | 37.7° | 37.7° |
| C15 | RU | C17 | C16 | 108.7° | 108.7° |
| C15 | RU | C20 | C16 | 41.0° | 41.0° |
| C15 | RU | C16 | C18 | 122.9° | 122.9° |
| C15 | RU | C16 | C19 | 166.0° | 166.0° |
| C15 | RU | C18 | C17 | 64.3° | 64.3° |
| C15 | RU | C17 | C20 | 146.0° | 146.0° |
| C15 | RU | C17 | C19 | 172.0° | 172.0° |
| C15 | RU | C18 | C24 | 56.9° | 56.9° |
| C15 | RU | C18 | C20 | 142.9° | 142.9° |
| C15 | RU | C18 | C19 | 179.4° | 179.4° |
| C15 | RU | C20 | C19 | 158.3° | 158.3° |
| C17 | C16 | C20 | RU | 61.8° | 61.8° |
| C16 | C17 | C18 | RU | 62.5° | 62.5° |
| C16 | C17 | C18 | C24 | 177.3° | 177.3° |
| C16 | C17 | C18 | C19 | 0.8° | 0.8° |
| C17 | C16 | C20 | C19 | 0.0° | 0.0° |
| C17 | C16 | RU | C19 | 79.9° | 79.9° |
| C20 | C16 | C17 | C18 | 0.5° | 0.5° |
| C16 | C20 | RU | C18 | 79.7° | 79.7° |
| C16 | C20 | C19 | C18 | 0.5° | 0.5° |
| C16 | C20 | RU | C19 | 117.2° | 117.2° |
| C16 | RU | C18 | C24 | 158.0° | 158.0° |
| C16 | RU | C18 | C19 | 78.3° | 78.3° |
| C17 | C18 | C24 | RU | 88.5° | 88.5° |
| C17 | C18 | C24 | C19 | 177.7° | 177.7° |
| C17 | C18 | RU | C19 | 115.1° | 115.1° |
| C17 | C18 | RU | C20 | 78.6° | 78.6° |
| C17 | C18 | C19 | C20 | 0.8° | 0.8° |
| C17 | C18 | C24 | C25 | 170.3° | 170.3° |
| C17 | C18 | C24 | O28 | 9.8° | 9.8° |
| C17 | RU | C20 | C19 | 79.7° | 79.7° |
| C24 | C18 | RU | C19 | 123.7° | 123.7° |
| C24 | C18 | RU | C20 | 160.2° | 160.2° |
| C24 | C18 | C19 | C20 | 177.2° | 177.2° |
| C18 | C24 | C25 | C26 | 129.8° | 129.8° |
| C18 | C24 | C25 | O28 | 179.9° | 179.9° |
| C18 | C24 | C25 | H21 | 111.2° | 111.2° |
| C18 | C24 | C25 | H22 | 10.7° | 10.7° |
| C18 | RU | C20 | C19 | 37.6° | 37.6° |
| RU | C18 | C24 | C25 | 81.7° | 81.7° |
| RU | C18 | C24 | O28 | 98.4° | 98.4° |
| C19 | C18 | C24 | C25 | 7.4° | 7.4° |
| C19 | C18 | C24 | O28 | 172.5° | 172.5° |
| C34 | C31 | C32 | N30 | 149.0° | 149.0° |
| C34 | C31 | C32 | H11 | 104.7° | 104.7° |
| C34 | C31 | N30 | H11 | 107.7° | 107.7° |
| C31 | C34 | S49 | N33 | 116.6° | 116.6° |
| C31 | C34 | S49 | H12 | 123.4° | 123.4° |
| C31 | C34 | N33 | H12 | 113.5° | 113.5° |
| C34 | C31 | C32 | O67 | 108.0° | 108.0° |
| C31 | C34 | N33 | C51 | 117.2° | 117.2° |
| C34 | C31 | N30 | C27 | 76.7° | 76.7° |
| C34 | C31 | C32 | O1 | 46.8° | 46.8° |
| C34 | C31 | N30 | H18 | 103.4° | 103.4° |
| C32 | C31 | N30 | H11 | 106.3° | 106.3° |
| C32 | C31 | C34 | S49 | 174.1° | 174.1° |
| C32 | C31 | C34 | N33 | 49.5° | 49.5° |
| C31 | C32 | O67 | O1 | 155.8° | 155.8° |
| C32 | C31 | N30 | C27 | 137.4° | 137.4° |
| C32 | C31 | C34 | H12 | 64.2° | 64.2° |
| C32 | C31 | N30 | H18 | 42.6° | 42.6° |
| C31 | C32 | O1 | H24 | 152.5° | 152.5° |
| N30 | C31 | C34 | S49 | 26.9° | 26.9° |
| N30 | C31 | C34 | N33 | 97.7° | 97.7° |
| N30 | C31 | C32 | O67 | 41.0° | 41.0° |
| C31 | N30 | C27 | H18 | 180.0° | 180.0° |
| C31 | N30 | C27 | O29 | 0.0° | 0.0° |
| C31 | N30 | C27 | C26 | 179.4° | 179.4° |
| N30 | C31 | C32 | O1 | 164.2° | 164.2° |
| N30 | C31 | C34 | H12 | 148.6° | 148.6° |
| S49 | C34 | N33 | H12 | 118.1° | 118.1° |
| S49 | C34 | N33 | C51 | 11.1° | 11.1° |
| C34 | S49 | C1 | H1 | 90.9° | 90.9° |
| C34 | S49 | C1 | H2 | 150.0° | 150.0° |
| S49 | C34 | C31 | H11 | 81.1° | 81.1° |
| C34 | N33 | C51 | C50 | 5.7° | 5.7° |
| C34 | N33 | C51 | C63 | 178.1° | 178.1° |
| N33 | C34 | C31 | H11 | 154.4° | 154.4° |
| O67 | C32 | C31 | H11 | 147.3° | 147.3° |
| O67 | C32 | O1 | H24 | 0.0° | 0.0° |
| C52 | C50 | C51 | C63 | 25.1° | 25.1° |
| C52 | C50 | C51 | N33 | 159.0° | 159.0° |
| C52 | C50 | C1 | H1 | 97.5° | 97.5° |
| C52 | C50 | C1 | H2 | 21.7° | 21.7° |
| C50 | C52 | H14 | H15 | 180.0° | 180.0° |
| C50 | C51 | C63 | N33 | 176.3° | 176.3° |
| C50 | C51 | C63 | O65 | 63.1° | 63.1° |
| C50 | C51 | C63 | O64 | 117.6° | 117.6° |
| C51 | C50 | C1 | H1 | 80.0° | 80.0° |
| C51 | C50 | C1 | H2 | 160.9° | 160.9° |
| C51 | C50 | C52 | H14 | 0.0° | 0.0° |
| C51 | C50 | C52 | H15 | 180.0° | 180.0° |
| C51 | C63 | O65 | O64 | 179.3° | 179.3° |
| C51 | C63 | O64 | H17 | 179.3° | 179.3° |
| N33 | C51 | C63 | O65 | 120.6° | 120.6° |
| N33 | C51 | C63 | O64 | 58.7° | 58.7° |
| C51 | N33 | C34 | H12 | 129.2° | 129.2° |
| O65 | C63 | O64 | H17 | 0.0° | 0.0° |
| N30 | C27 | O29 | C26 | 179.3° | 179.3° |
| N30 | C27 | C26 | C25 | 170.2° | 170.2° |
| C27 | N30 | C31 | H11 | 31.1° | 31.1° |
| N30 | C27 | C26 | H19 | 50.0° | 50.0° |
| N30 | C27 | C26 | H20 | 69.5° | 69.5° |
| O29 | C27 | C26 | C25 | 9.2° | 9.2° |
| O29 | C27 | N30 | H18 | 179.9° | 179.9° |
| O29 | C27 | C26 | H19 | 129.4° | 129.5° |
| O29 | C27 | C26 | H20 | 111.1° | 111.1° |
| C27 | C26 | C25 | H19 | 120.3° | 120.3° |
| C27 | C26 | C25 | H20 | 120.2° | 120.2° |
| C27 | C26 | C25 | C24 | 161.5° | 161.5° |
| C26 | C27 | N30 | H18 | 0.5° | 0.5° |
| C27 | C26 | H19 | H20 | 119.3° | 119.2° |
| C27 | C26 | C25 | H21 | 79.5° | 79.4° |
| C27 | C26 | C25 | H22 | 42.5° | 42.5° |
| C26 | C25 | C24 | H21 | 119.0° | 119.0° |
| C26 | C25 | C24 | H22 | 119.0° | 119.0° |
| C26 | C25 | C24 | O28 | 50.2° | 50.2° |
| C25 | C26 | H19 | H20 | 119.3° | 119.3° |
| C26 | C25 | H21 | H22 | 122.9° | 122.8° |
| C24 | C25 | C26 | H19 | 41.3° | 41.3° |
| C24 | C25 | C26 | H20 | 78.2° | 78.2° |
| C24 | C25 | H21 | H22 | 122.9° | 122.9° |
| O28 | C24 | C25 | H21 | 68.8° | 68.9° |
| O28 | C24 | C25 | H22 | 169.2° | 169.2° |
| O1 | C32 | C31 | H11 | 57.9° | 57.9° |
| H11 | C31 | C34 | H12 | 40.7° | 40.7° |
| H11 | C31 | N30 | H18 | 148.9° | 148.9° |
| H19 | C26 | C25 | H21 | 160.3° | 160.3° |
| H19 | C26 | C25 | H22 | 77.7° | 77.7° |
| H20 | C26 | C25 | H21 | 40.8° | 40.8° |
| H20 | C26 | C25 | H22 | 162.8° | 162.8° |
