WS9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.47Å | |
| C1 | C5 | sing | 1.54Å | 1.54Å | |
| C1 | C22 | sing | 1.51Å | 1.52Å | |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| N2 | C6 | sing | 1.35Å | 1.34Å | |
| C3 | C4 | sing | 1.55Å | 1.52Å | |
| C4 | C5 | sing | 1.55Å | 1.53Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | O21 | doub | 1.21Å | 1.21Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | C19 | sing | 1.53Å | 1.52Å | |
| C7 | C20 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | O14 | sing | 1.36Å | 1.38Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| O14 | C15 | sing | 1.43Å | 1.34Å | |
| C15 | F16 | sing | 1.40Å | 1.44Å | |
| C15 | F17 | sing | 1.40Å | 1.36Å | |
| C15 | F18 | sing | 1.40Å | 1.37Å | |
| C19 | C20 | sing | 1.53Å | 1.48Å | |
| C22 | N23 | sing | 1.35Å | 1.34Å | |
| C22 | O30 | doub | 1.21Å | 1.23Å | |
| N23 | C24 | sing | 1.46Å | 1.46Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C27 | N28 | sing | 1.35Å | 1.32Å | |
| C27 | O29 | doub | 1.21Å | 1.22Å | |
| C31 | C32 | sing | 1.47Å | 1.45Å | |
| C32 | N33 | doub | 1.31Å | 1.35Å | Aromatic |
| C32 | O36 | sing | 1.34Å | 1.35Å | Aromatic |
| N33 | C34 | sing | 1.34Å | 1.38Å | Aromatic |
| C34 | C35 | doub | 1.35Å | 1.35Å | Aromatic |
| C35 | O36 | sing | 1.35Å | 1.38Å | Aromatic |
| C31 | C25 | doub | 1.33Å | 1.36Å | |
| C10 | H45 | sing | 1.08Å | 1.08Å | |
| C13 | H47 | sing | 1.08Å | 1.08Å | |
| C19 | H48 | sing | 1.09Å | 1.10Å | |
| C19 | H49 | sing | 1.09Å | 1.10Å | |
| C20 | H51 | sing | 1.09Å | 1.10Å | |
| C20 | H50 | sing | 1.09Å | 1.10Å | |
| C24 | H53 | sing | 1.09Å | 1.10Å | |
| C25 | H1 | sing | 1.08Å | 1.08Å | |
| C26 | H55 | sing | 1.09Å | 1.10Å | |
| C26 | H54 | sing | 1.09Å | 1.10Å | |
| C1 | H37 | sing | 1.09Å | 1.10Å | |
| C3 | H39 | sing | 1.09Å | 1.10Å | |
| C3 | H38 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H40 | sing | 1.09Å | 1.10Å | |
| C5 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H43 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.08Å | 1.08Å | |
| C12 | H46 | sing | 1.08Å | 1.08Å | |
| N23 | H52 | sing | 0.97Å | 1.00Å | |
| N28 | H56 | sing | 0.97Å | 1.00Å | |
| N28 | H57 | sing | 0.97Å | 1.00Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H58 | sing | 1.08Å | 1.08Å | |
| C35 | H59 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C5 | 102.8° | 107.3° |
| N2 | C1 | C22 | 117.0° | 109.9° |
| C1 | N2 | C3 | 112.1° | 108.7° |
| C1 | N2 | C6 | 118.0° | 125.6° |
| N2 | C1 | H37 | 109.6° | 109.9° |
| C5 | C1 | C22 | 109.6° | 109.9° |
| C1 | C5 | C4 | 102.7° | 102.9° |
| C5 | C1 | H37 | 108.6° | 109.8° |
| C1 | C5 | H42 | 111.1° | 110.7° |
| C1 | C5 | H43 | 111.1° | 110.8° |
| C1 | C22 | N23 | 113.8° | 120.0° |
| C1 | C22 | O30 | 121.5° | 120.0° |
| C22 | C1 | H37 | 108.9° | 110.0° |
| C3 | N2 | C6 | 129.6° | 125.7° |
| N2 | C3 | C4 | 103.9° | 104.9° |
| N2 | C3 | H39 | 110.9° | 110.3° |
| N2 | C3 | H38 | 110.9° | 110.4° |
| N2 | C6 | C7 | 119.3° | 120.0° |
| N2 | C6 | O21 | 120.5° | 120.0° |
| C3 | C4 | C5 | 104.1° | 101.6° |
| C4 | C3 | H39 | 110.9° | 110.4° |
| C4 | C3 | H38 | 110.9° | 110.4° |
| C3 | C4 | H41 | 110.8° | 111.0° |
| C3 | C4 | H40 | 110.8° | 111.0° |
| C5 | C4 | H41 | 110.8° | 111.0° |
| C5 | C4 | H40 | 110.8° | 111.0° |
| C4 | C5 | H42 | 111.1° | 110.7° |
| C4 | C5 | H43 | 111.1° | 110.7° |
| C7 | C6 | O21 | 119.9° | 120.0° |
| C6 | C7 | C8 | 112.1° | 115.5° |
| C6 | C7 | C19 | 117.4° | 117.5° |
| C6 | C7 | C20 | 113.5° | 117.5° |
| C8 | C7 | C19 | 127.1° | 117.5° |
| C8 | C7 | C20 | 116.2° | 117.5° |
| C7 | C8 | C9 | 118.8° | 119.9° |
| C7 | C8 | C13 | 122.3° | 120.0° |
| C19 | C7 | C20 | 58.5° | 60.0° |
| C7 | C19 | C20 | 60.7° | 60.0° |
| C7 | C19 | H48 | 119.9° | 117.5° |
| C7 | C19 | H49 | 119.9° | 117.5° |
| C7 | C20 | C19 | 60.8° | 60.0° |
| C7 | C20 | H51 | 119.9° | 117.5° |
| C7 | C20 | H50 | 119.9° | 117.5° |
| C9 | C8 | C13 | 118.7° | 120.1° |
| C8 | C9 | C10 | 120.8° | 120.1° |
| C8 | C9 | H44 | 119.6° | 120.0° |
| C8 | C13 | C12 | 120.9° | 120.0° |
| C8 | C13 | H47 | 119.6° | 120.0° |
| C9 | C10 | C11 | 119.6° | 119.9° |
| C9 | C10 | H45 | 120.2° | 120.0° |
| C10 | C9 | H44 | 119.6° | 120.0° |
| C10 | C11 | C12 | 120.4° | 119.9° |
| C10 | C11 | O14 | 116.4° | 120.0° |
| C11 | C10 | H45 | 120.2° | 120.0° |
| C12 | C11 | O14 | 123.0° | 120.1° |
| C11 | C12 | C13 | 119.5° | 120.0° |
| C11 | C12 | H46 | 120.3° | 120.0° |
| C11 | O14 | C15 | 118.0° | 117.0° |
| C12 | C13 | H47 | 119.6° | 120.0° |
| C13 | C12 | H46 | 120.3° | 120.0° |
| O14 | C15 | F16 | 121.6° | 109.5° |
| O14 | C15 | F17 | 99.6° | 109.5° |
| O14 | C15 | F18 | 102.8° | 109.5° |
| F16 | C15 | F17 | 109.1° | 109.4° |
| F16 | C15 | F18 | 113.6° | 109.5° |
| F17 | C15 | F18 | 108.8° | 109.5° |
| C20 | C19 | H48 | 119.9° | 117.5° |
| C20 | C19 | H49 | 119.9° | 117.5° |
| C19 | C20 | H51 | 119.9° | 117.5° |
| C19 | C20 | H50 | 119.9° | 117.5° |
| N23 | C22 | O30 | 124.5° | 120.0° |
| C22 | N23 | C24 | 125.7° | 120.0° |
| C22 | N23 | H52 | 117.1° | 120.0° |
| N23 | C24 | C25 | 99.6° | 109.5° |
| N23 | C24 | C26 | 111.8° | 109.5° |
| N23 | C24 | H53 | 109.7° | 109.5° |
| C24 | N23 | H52 | 117.2° | 120.0° |
| C25 | C24 | C26 | 117.9° | 109.4° |
| C24 | C25 | C31 | 112.2° | 120.0° |
| C25 | C24 | H53 | 108.6° | 109.5° |
| C24 | C25 | H1 | 123.9° | 120.0° |
| C24 | C26 | C27 | 112.4° | 109.5° |
| C26 | C24 | H53 | 108.8° | 109.4° |
| C24 | C26 | H55 | 108.7° | 109.5° |
| C24 | C26 | H54 | 108.7° | 109.5° |
| C26 | C27 | N28 | 117.0° | 120.0° |
| C26 | C27 | O29 | 120.8° | 120.0° |
| C27 | C26 | H55 | 108.7° | 109.5° |
| C27 | C26 | H54 | 108.7° | 109.5° |
| N28 | C27 | O29 | 122.2° | 120.0° |
| C27 | N28 | H56 | 120.0° | 120.0° |
| C27 | N28 | H57 | 120.0° | 120.0° |
| C31 | C32 | N33 | 130.0° | 125.7° |
| C31 | C32 | O36 | 120.2° | 125.7° |
| C32 | C31 | C25 | 126.1° | 120.0° |
| C32 | C31 | H31 | 116.9° | 120.0° |
| N33 | C32 | O36 | 109.8° | 108.5° |
| C32 | N33 | C34 | 106.5° | 108.6° |
| C32 | O36 | C35 | 107.6° | 107.6° |
| N33 | C34 | C35 | 109.1° | 107.9° |
| N33 | C34 | H58 | 125.4° | 126.0° |
| C34 | C35 | O36 | 107.0° | 107.3° |
| C35 | C34 | H58 | 125.5° | 126.1° |
| C34 | C35 | H59 | 126.5° | 126.4° |
| O36 | C35 | H59 | 126.5° | 126.3° |
| C31 | C25 | H1 | 123.9° | 120.0° |
| C25 | C31 | H31 | 117.0° | 120.0° |
| H48 | C19 | H49 | 109.5° | 115.5° |
| H51 | C20 | H50 | 109.4° | 115.6° |
| H55 | C26 | H54 | 109.4° | 109.5° |
| H39 | C3 | H38 | 109.5° | 110.4° |
| H41 | C4 | H40 | 109.5° | 111.0° |
| H42 | C5 | H43 | 109.5° | 110.8° |
| H56 | N28 | H57 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C5 | C22 | 125.1° | 119.5° |
| N2 | C1 | C5 | H37 | 116.1° | 119.4° |
| N2 | C1 | C22 | H37 | 124.9° | 121.1° |
| C1 | N2 | C3 | C6 | 173.5° | 180.0° |
| C1 | N2 | C3 | C4 | 7.1° | 24.2° |
| N2 | C1 | C5 | C4 | 33.0° | 22.2° |
| C1 | N2 | C6 | C7 | 179.4° | 174.9° |
| C1 | N2 | C6 | O21 | 6.0° | 5.0° |
| N2 | C1 | C22 | N23 | 152.9° | 180.0° |
| N2 | C1 | C22 | O30 | 31.9° | 0.1° |
| C1 | N2 | C3 | H39 | 112.0° | 143.0° |
| C1 | N2 | C3 | H38 | 126.2° | 94.7° |
| N2 | C1 | C5 | H42 | 151.9° | 96.2° |
| N2 | C1 | C5 | H43 | 85.9° | 140.5° |
| C5 | C1 | C22 | H37 | 118.7° | 121.0° |
| C5 | C1 | N2 | C3 | 16.4° | 1.1° |
| C5 | C1 | N2 | C6 | 157.9° | 178.9° |
| C1 | C5 | C4 | C3 | 38.1° | 35.5° |
| C1 | C5 | C4 | H42 | 118.9° | 118.4° |
| C1 | C5 | C4 | H43 | 118.9° | 118.4° |
| C5 | C1 | C22 | N23 | 90.6° | 62.2° |
| C5 | C1 | C22 | O30 | 84.6° | 117.9° |
| C1 | C5 | C4 | H41 | 157.2° | 82.6° |
| C1 | C5 | C4 | H40 | 81.0° | 153.5° |
| C1 | C5 | H42 | H43 | 123.1° | 123.3° |
| C22 | C1 | N2 | C3 | 103.7° | 118.3° |
| C22 | C1 | N2 | C6 | 82.0° | 61.6° |
| C22 | C1 | C5 | C4 | 92.1° | 141.6° |
| C1 | C22 | N23 | O30 | 175.0° | 179.9° |
| C1 | C22 | N23 | C24 | 171.5° | 172.8° |
| C22 | C1 | C5 | H42 | 26.8° | 23.3° |
| C22 | C1 | C5 | H43 | 149.0° | 100.0° |
| C1 | C22 | N23 | H52 | 8.5° | 7.2° |
| N2 | C3 | C4 | H39 | 119.1° | 118.8° |
| N2 | C3 | C4 | H38 | 119.1° | 118.9° |
| N2 | C3 | C4 | C5 | 28.0° | 37.0° |
| C3 | N2 | C6 | C7 | 7.4° | 5.1° |
| C3 | N2 | C6 | O21 | 179.1° | 174.9° |
| C3 | N2 | C1 | H37 | 131.8° | 120.5° |
| N2 | C3 | H39 | H38 | 122.6° | 122.3° |
| N2 | C3 | C4 | H41 | 147.1° | 81.0° |
| N2 | C3 | C4 | H40 | 91.1° | 155.1° |
| C6 | N2 | C3 | C4 | 179.4° | 155.9° |
| N2 | C6 | C7 | O21 | 173.5° | 180.0° |
| N2 | C6 | C7 | C8 | 74.7° | 66.1° |
| N2 | C6 | C7 | C19 | 85.9° | 79.5° |
| N2 | C6 | C7 | C20 | 151.2° | 148.2° |
| C6 | N2 | C1 | H37 | 42.5° | 59.6° |
| C6 | N2 | C3 | H39 | 61.5° | 37.0° |
| C6 | N2 | C3 | H38 | 60.3° | 85.2° |
| C3 | C4 | C5 | H41 | 119.2° | 118.1° |
| C3 | C4 | C5 | H40 | 119.1° | 118.0° |
| C4 | C3 | H39 | H38 | 122.6° | 122.3° |
| C3 | C4 | H41 | H40 | 122.5° | 123.9° |
| C3 | C4 | C5 | H42 | 157.0° | 82.9° |
| C3 | C4 | C5 | H43 | 80.9° | 153.9° |
| C4 | C5 | C1 | H37 | 149.1° | 97.2° |
| C5 | C4 | C3 | H39 | 91.1° | 155.8° |
| C5 | C4 | C3 | H38 | 147.1° | 81.8° |
| C5 | C4 | H41 | H40 | 122.5° | 123.9° |
| C4 | C5 | H42 | H43 | 123.1° | 123.2° |
| C6 | C7 | C8 | C19 | 158.2° | 145.7° |
| C6 | C7 | C8 | C20 | 132.8° | 145.7° |
| C6 | C7 | C19 | C20 | 102.1° | 107.5° |
| C6 | C7 | C8 | C9 | 57.3° | 42.2° |
| C6 | C7 | C8 | C13 | 116.7° | 138.3° |
| C6 | C7 | C19 | H48 | 148.2° | 0.0° |
| C6 | C7 | C19 | H49 | 7.5° | 145.0° |
| C6 | C7 | C20 | H51 | 1.0° | 145.0° |
| C6 | C7 | C20 | H50 | 141.6° | 0.1° |
| O21 | C6 | C7 | C8 | 98.8° | 113.9° |
| O21 | C6 | C7 | C19 | 100.7° | 100.4° |
| O21 | C6 | C7 | C20 | 35.3° | 31.8° |
| C8 | C7 | C19 | C20 | 100.6° | 107.5° |
| C7 | C8 | C9 | C13 | 174.2° | 179.5° |
| C7 | C8 | C9 | C10 | 176.3° | 180.0° |
| C7 | C8 | C13 | C12 | 177.4° | 179.7° |
| C7 | C8 | C13 | H47 | 2.6° | 0.5° |
| C8 | C7 | C19 | H48 | 9.1° | 145.0° |
| C8 | C7 | C19 | H49 | 149.7° | 0.1° |
| C8 | C7 | C20 | H51 | 131.2° | 0.0° |
| C8 | C7 | C20 | H50 | 9.4° | 145.1° |
| C7 | C8 | C9 | H44 | 3.7° | 0.0° |
| C19 | C7 | C8 | C9 | 144.5° | 172.1° |
| C19 | C7 | C8 | C13 | 41.5° | 7.4° |
| C7 | C19 | C20 | H48 | 109.7° | 107.5° |
| C7 | C19 | C20 | H49 | 109.7° | 107.5° |
| C7 | C19 | H48 | H49 | 144.3° | 145.7° |
| C19 | C7 | C20 | H51 | 109.7° | 107.5° |
| C19 | C7 | C20 | H50 | 109.7° | 107.4° |
| C20 | C7 | C8 | C9 | 75.6° | 103.4° |
| C20 | C7 | C8 | C13 | 110.5° | 76.1° |
| C7 | C20 | H51 | H50 | 144.3° | 145.8° |
| C8 | C9 | C10 | H44 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C9 | C8 | C13 | C12 | 3.4° | 0.8° |
| C8 | C9 | C10 | H45 | 179.9° | 179.7° |
| C9 | C8 | C13 | H47 | 176.6° | 180.0° |
| C13 | C8 | C9 | C10 | 2.1° | 0.5° |
| C8 | C13 | C12 | C11 | 2.6° | 0.5° |
| C8 | C13 | C12 | H47 | 180.0° | 179.2° |
| C13 | C8 | C9 | H44 | 177.8° | 179.5° |
| C8 | C13 | C12 | H46 | 177.4° | 179.5° |
| C9 | C10 | C11 | H45 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.8° | 0.4° |
| C9 | C10 | C11 | O14 | 177.7° | 179.8° |
| C10 | C11 | C12 | O14 | 176.8° | 179.9° |
| C10 | C11 | C12 | C13 | 0.5° | 0.1° |
| C10 | C11 | O14 | C15 | 91.7° | 180.0° |
| C11 | C10 | C9 | H44 | 179.9° | 180.0° |
| C10 | C11 | C12 | H46 | 179.5° | 180.0° |
| C11 | C12 | C13 | H46 | 180.0° | 179.9° |
| C12 | C11 | O14 | C15 | 91.4° | 0.1° |
| C12 | C11 | C10 | H45 | 179.2° | 180.0° |
| C11 | C12 | C13 | H47 | 177.4° | 179.7° |
| O14 | C11 | C12 | C13 | 176.3° | 180.0° |
| C11 | O14 | C15 | F16 | 61.5° | 60.1° |
| C11 | O14 | C15 | F17 | 178.9° | 180.0° |
| C11 | O14 | C15 | F18 | 66.9° | 59.9° |
| O14 | C11 | C10 | H45 | 2.3° | 0.1° |
| O14 | C11 | C12 | H46 | 3.7° | 0.1° |
| O14 | C15 | F16 | F17 | 114.9° | 120.0° |
| O14 | C15 | F16 | F18 | 123.5° | 120.1° |
| O14 | C15 | F17 | F18 | 107.2° | 120.1° |
| F16 | C15 | F17 | F18 | 124.4° | 120.0° |
| C20 | C19 | H48 | H49 | 144.3° | 145.6° |
| C19 | C20 | H51 | H50 | 144.3° | 145.7° |
| C22 | N23 | C24 | H52 | 180.0° | 180.0° |
| C22 | N23 | C24 | C25 | 98.7° | 154.9° |
| C22 | N23 | C24 | C26 | 135.9° | 85.1° |
| C22 | N23 | C24 | H53 | 15.1° | 34.9° |
| N23 | C22 | C1 | H37 | 28.1° | 58.8° |
| O30 | C22 | N23 | C24 | 3.5° | 7.3° |
| O30 | C22 | C1 | H37 | 156.7° | 121.1° |
| O30 | C22 | N23 | H52 | 176.5° | 172.7° |
| N23 | C24 | C25 | C26 | 121.1° | 120.0° |
| N23 | C24 | C25 | H53 | 114.7° | 120.1° |
| N23 | C24 | C26 | H53 | 121.3° | 120.0° |
| N23 | C24 | C26 | C27 | 59.8° | 173.9° |
| N23 | C24 | C25 | C31 | 113.7° | 120.0° |
| N23 | C24 | C25 | H1 | 66.4° | 59.9° |
| N23 | C24 | C26 | H55 | 60.7° | 53.9° |
| N23 | C24 | C26 | H54 | 179.8° | 66.1° |
| C25 | C24 | C26 | H53 | 124.1° | 119.9° |
| C25 | C24 | C26 | C27 | 174.3° | 66.1° |
| C24 | C25 | C31 | C32 | 178.0° | 180.0° |
| C24 | C25 | C31 | H1 | 180.0° | 179.9° |
| C25 | C24 | C26 | H55 | 53.9° | 173.9° |
| C25 | C24 | C26 | H54 | 65.2° | 53.9° |
| C25 | C24 | N23 | H52 | 81.3° | 25.0° |
| C24 | C25 | C31 | H31 | 2.1° | 0.0° |
| C24 | C26 | C27 | H55 | 120.5° | 120.0° |
| C24 | C26 | C27 | H54 | 120.5° | 120.0° |
| C24 | C26 | C27 | N28 | 124.2° | 175.5° |
| C24 | C26 | C27 | O29 | 57.8° | 4.6° |
| C26 | C24 | C25 | C31 | 125.2° | 120.0° |
| C26 | C24 | C25 | H1 | 54.7° | 60.1° |
| C24 | C26 | H55 | H54 | 118.6° | 120.0° |
| C26 | C24 | N23 | H52 | 44.0° | 94.9° |
| C26 | C27 | N28 | O29 | 177.9° | 179.9° |
| C27 | C26 | C24 | H53 | 61.6° | 53.8° |
| C27 | C26 | H55 | H54 | 118.7° | 120.0° |
| C26 | C27 | N28 | H56 | 177.9° | 0.0° |
| C26 | C27 | N28 | H57 | 2.1° | 180.0° |
| N28 | C27 | C26 | H55 | 3.8° | 64.6° |
| N28 | C27 | C26 | H54 | 115.3° | 55.5° |
| C27 | N28 | H56 | H57 | 180.0° | 180.0° |
| O29 | C27 | C26 | H55 | 178.3° | 115.4° |
| O29 | C27 | C26 | H54 | 62.7° | 124.6° |
| O29 | C27 | N28 | H56 | 0.0° | 180.0° |
| O29 | C27 | N28 | H57 | 180.0° | 0.1° |
| C31 | C32 | N33 | O36 | 179.1° | 179.7° |
| C31 | C32 | N33 | C34 | 177.9° | 180.0° |
| C31 | C32 | O36 | C35 | 177.8° | 179.8° |
| C32 | C31 | C25 | H31 | 180.0° | 180.0° |
| C32 | C31 | C25 | H1 | 2.0° | 0.0° |
| C32 | N33 | C34 | C35 | 0.5° | 0.0° |
| N33 | C32 | O36 | C35 | 1.5° | 0.5° |
| N33 | C32 | C31 | C25 | 15.9° | 180.0° |
| N33 | C32 | C31 | H31 | 164.1° | 0.1° |
| C32 | N33 | C34 | H58 | 179.5° | 180.0° |
| O36 | C32 | N33 | C34 | 1.2° | 0.3° |
| C32 | O36 | C35 | C34 | 1.1° | 0.4° |
| O36 | C32 | C31 | C25 | 163.2° | 0.3° |
| O36 | C32 | C31 | H31 | 16.8° | 179.7° |
| C32 | O36 | C35 | H59 | 178.9° | 179.9° |
| N33 | C34 | C35 | H58 | 180.0° | 179.9° |
| N33 | C34 | C35 | O36 | 0.4° | 0.2° |
| N33 | C34 | C35 | H59 | 179.6° | 179.9° |
| C34 | C35 | O36 | H59 | 180.0° | 179.7° |
| O36 | C35 | C34 | H58 | 179.6° | 179.7° |
| C31 | C25 | C24 | H53 | 1.0° | 0.1° |
| H45 | C10 | C9 | H44 | 0.1° | 0.3° |
| H47 | C13 | C12 | H46 | 2.6° | 0.3° |
| H48 | C19 | C20 | H51 | 140.7° | 145.0° |
| H48 | C19 | C20 | H50 | 0.0° | 0.0° |
| H49 | C19 | C20 | H51 | 0.0° | 0.1° |
| H49 | C19 | C20 | H50 | 140.6° | 145.0° |
| H53 | C24 | C25 | H1 | 178.9° | 180.0° |
| H53 | C24 | C26 | H55 | 178.0° | 66.2° |
| H53 | C24 | C26 | H54 | 58.9° | 173.8° |
| H53 | C24 | N23 | H52 | 164.9° | 145.1° |
| H1 | C25 | C31 | H31 | 178.0° | 179.9° |
| H37 | C1 | C5 | H42 | 92.0° | 144.4° |
| H37 | C1 | C5 | H43 | 30.1° | 21.1° |
| H39 | C3 | C4 | H41 | 28.0° | 37.8° |
| H39 | C3 | C4 | H40 | 149.8° | 86.1° |
| H38 | C3 | C4 | H41 | 93.7° | 160.1° |
| H38 | C3 | C4 | H40 | 28.0° | 36.2° |
| H41 | C4 | C5 | H42 | 83.9° | 159.1° |
| H41 | C4 | C5 | H43 | 38.3° | 35.8° |
| H40 | C4 | C5 | H42 | 37.9° | 35.2° |
| H40 | C4 | C5 | H43 | 160.0° | 88.1° |
| H58 | C34 | C35 | H59 | 0.4° | 0.0° |
