W94
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.35Å | 1.40Å | Aromatic |
| C1 | N5 | sing | 1.35Å | 1.35Å | Aromatic |
| C1 | C16 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | N4 | doub | 1.31Å | 1.34Å | Aromatic |
| C3 | C12 | sing | 1.51Å | 1.50Å | |
| N4 | N5 | sing | 1.40Å | 1.39Å | Aromatic |
| N5 | C6 | sing | 1.40Å | 1.33Å | |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | F13 | sing | 1.40Å | 1.34Å | |
| C12 | F14 | sing | 1.40Å | 1.33Å | |
| C12 | F15 | sing | 1.40Å | 1.33Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C21 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | N19 | sing | 1.47Å | 1.46Å | |
| N19 | C20 | sing | 1.47Å | 1.48Å | |
| N19 | C22 | sing | 1.47Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.55Å | 1.54Å | |
| C22 | C26 | sing | 1.55Å | 1.53Å | |
| C23 | C24 | sing | 1.54Å | 1.53Å | |
| C24 | N25 | sing | 1.48Å | 1.45Å | |
| C24 | C27 | sing | 1.51Å | 1.52Å | |
| N25 | C26 | sing | 1.48Å | 1.45Å | |
| C27 | N28 | sing | 1.35Å | 1.33Å | |
| C27 | O33 | doub | 1.21Å | 1.22Å | |
| N28 | C29 | sing | 1.46Å | 1.46Å | |
| N28 | C32 | sing | 1.48Å | 1.47Å | |
| C29 | C30 | sing | 1.55Å | 1.51Å | |
| C30 | S31 | sing | 1.84Å | 1.76Å | |
| S31 | C32 | sing | 1.84Å | 1.80Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| N25 | HN25 | sing | 1.01Å | 1.00Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N5 | 106.5° | 107.7° |
| C2 | C1 | C16 | 117.5° | 126.1° |
| C1 | C2 | C3 | 102.9° | 107.9° |
| C1 | C2 | H2 | 128.6° | 126.0° |
| N5 | C1 | C16 | 136.0° | 126.2° |
| C1 | N5 | N4 | 114.4° | 108.0° |
| C1 | N5 | C6 | 127.8° | 126.0° |
| C1 | C16 | C17 | 110.6° | 109.5° |
| C1 | C16 | C21 | 113.8° | 109.5° |
| C1 | C16 | H16 | 105.6° | 109.5° |
| C2 | C3 | N4 | 116.2° | 108.2° |
| C2 | C3 | C12 | 124.9° | 125.9° |
| C3 | C2 | H2 | 128.6° | 126.0° |
| N4 | C3 | C12 | 118.9° | 125.9° |
| C3 | N4 | N5 | 100.1° | 108.2° |
| C3 | C12 | F13 | 107.7° | 109.5° |
| C3 | C12 | F14 | 109.8° | 109.5° |
| C3 | C12 | F15 | 107.7° | 109.5° |
| N4 | N5 | C6 | 117.7° | 126.0° |
| N5 | C6 | C7 | 119.2° | 120.1° |
| N5 | C6 | C11 | 124.2° | 120.1° |
| C7 | C6 | C11 | 116.7° | 119.8° |
| C6 | C7 | C8 | 123.2° | 119.9° |
| C6 | C7 | H7 | 118.4° | 120.0° |
| C6 | C11 | C10 | 121.1° | 120.0° |
| C6 | C11 | H11 | 119.4° | 120.0° |
| C7 | C8 | C9 | 118.6° | 120.0° |
| C8 | C7 | H7 | 118.4° | 120.0° |
| C7 | C8 | H8 | 120.7° | 120.0° |
| C8 | C9 | C10 | 119.6° | 120.1° |
| C9 | C8 | H8 | 120.7° | 120.0° |
| C8 | C9 | H9 | 120.2° | 119.9° |
| C9 | C10 | C11 | 120.8° | 120.1° |
| C10 | C9 | H9 | 120.2° | 120.0° |
| C9 | C10 | H10 | 119.6° | 119.9° |
| C11 | C10 | H10 | 119.6° | 120.0° |
| C10 | C11 | H11 | 119.4° | 120.1° |
| F13 | C12 | F14 | 110.9° | 109.5° |
| F13 | C12 | F15 | 110.0° | 109.5° |
| F14 | C12 | F15 | 110.7° | 109.4° |
| C17 | C16 | C21 | 109.2° | 109.2° |
| C16 | C17 | C18 | 111.8° | 109.2° |
| C17 | C16 | H16 | 110.5° | 109.5° |
| C16 | C17 | H17 | 108.7° | 109.5° |
| C16 | C17 | H17A | 108.7° | 109.5° |
| C16 | C21 | C20 | 111.4° | 109.3° |
| C21 | C16 | H16 | 107.0° | 109.6° |
| C16 | C21 | H21 | 108.8° | 109.5° |
| C16 | C21 | H21A | 108.9° | 109.5° |
| C17 | C18 | N19 | 108.3° | 109.6° |
| C18 | C17 | H17 | 108.7° | 109.5° |
| C18 | C17 | H17A | 108.7° | 109.5° |
| C17 | C18 | H18 | 109.9° | 109.5° |
| C17 | C18 | H18A | 109.9° | 109.5° |
| C18 | N19 | C20 | 116.6° | 111.2° |
| C18 | N19 | C22 | 109.6° | 111.0° |
| N19 | C18 | H18 | 109.8° | 109.5° |
| N19 | C18 | H18A | 109.9° | 109.4° |
| C20 | N19 | C22 | 113.0° | 111.0° |
| N19 | C20 | C21 | 108.5° | 109.5° |
| N19 | C20 | H20 | 109.8° | 109.4° |
| N19 | C20 | H20A | 109.8° | 109.5° |
| N19 | C22 | C23 | 112.7° | 111.0° |
| N19 | C22 | C26 | 113.0° | 111.0° |
| N19 | C22 | H22 | 102.7° | 110.9° |
| C21 | C20 | H20 | 109.8° | 109.5° |
| C21 | C20 | H20A | 109.8° | 109.4° |
| C20 | C21 | H21 | 108.8° | 109.5° |
| C20 | C21 | H21A | 108.8° | 109.5° |
| C23 | C22 | C26 | 102.0° | 101.6° |
| C22 | C23 | C24 | 103.8° | 103.1° |
| C23 | C22 | H22 | 113.6° | 111.0° |
| C22 | C23 | H23 | 111.4° | 110.7° |
| C22 | C23 | H23A | 111.4° | 110.7° |
| C22 | C26 | N25 | 103.3° | 104.8° |
| C26 | C22 | H22 | 113.3° | 111.0° |
| C22 | C26 | H26 | 111.6° | 110.4° |
| C22 | C26 | H26A | 111.6° | 110.4° |
| C23 | C24 | N25 | 102.9° | 107.2° |
| C23 | C24 | C27 | 113.5° | 109.9° |
| C24 | C23 | H23 | 111.4° | 110.7° |
| C24 | C23 | H23A | 111.4° | 110.7° |
| C23 | C24 | H24 | 112.6° | 109.9° |
| N25 | C24 | C27 | 113.3° | 109.9° |
| C24 | N25 | C26 | 113.2° | 108.5° |
| N25 | C24 | H24 | 112.8° | 109.9° |
| C24 | N25 | HN25 | 108.3° | 111.0° |
| C24 | C27 | N28 | 117.8° | 120.0° |
| C24 | C27 | O33 | 120.5° | 120.0° |
| C27 | C24 | H24 | 102.0° | 110.0° |
| C26 | N25 | HN25 | 108.2° | 111.0° |
| N25 | C26 | H26 | 111.6° | 110.4° |
| N25 | C26 | H26A | 111.6° | 110.3° |
| N28 | C27 | O33 | 121.7° | 120.0° |
| C27 | N28 | C29 | 121.1° | 122.4° |
| C27 | N28 | C32 | 123.2° | 122.4° |
| C29 | N28 | C32 | 115.7° | 115.1° |
| N28 | C29 | C30 | 111.5° | 113.2° |
| N28 | C29 | H29 | 108.8° | 108.7° |
| N28 | C29 | H29A | 108.8° | 108.7° |
| N28 | C32 | S31 | 105.5° | 102.5° |
| N28 | C32 | H32 | 110.8° | 110.8° |
| N28 | C32 | H32A | 110.8° | 110.7° |
| C29 | C30 | S31 | 108.2° | 101.3° |
| C30 | C29 | H29 | 108.8° | 108.8° |
| C30 | C29 | H29A | 108.8° | 108.7° |
| C29 | C30 | H30 | 109.9° | 111.1° |
| C29 | C30 | H30A | 109.9° | 111.0° |
| C30 | S31 | C32 | 96.8° | 93.8° |
| S31 | C30 | H30 | 109.9° | 111.0° |
| S31 | C30 | H30A | 109.9° | 111.0° |
| S31 | C32 | H32 | 110.8° | 110.9° |
| S31 | C32 | H32A | 110.8° | 110.8° |
| H17 | C17 | H17A | 110.2° | 109.6° |
| H18 | C18 | H18A | 109.1° | 109.4° |
| H20 | C20 | H20A | 109.1° | 109.5° |
| H21 | C21 | H21A | 110.1° | 109.6° |
| H23 | C23 | H23A | 107.5° | 110.7° |
| H26 | C26 | H26A | 107.3° | 110.4° |
| H29 | C29 | H29A | 110.1° | 108.6° |
| H30 | C30 | H30A | 109.0° | 111.0° |
| H32 | C32 | H32A | 108.1° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N5 | C16 | 179.9° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | N4 | 0.3° | 0.0° |
| C1 | C2 | C3 | C12 | 179.6° | 180.0° |
| C2 | C1 | N5 | N4 | 0.9° | 0.0° |
| C2 | C1 | N5 | C6 | 178.6° | 180.0° |
| C2 | C1 | C16 | C17 | 39.2° | 37.9° |
| C2 | C1 | C16 | C21 | 84.2° | 81.8° |
| C2 | C1 | C16 | H16 | 158.7° | 158.0° |
| N5 | C1 | C2 | C3 | 0.4° | 0.0° |
| C1 | N5 | N4 | C3 | 1.1° | 0.0° |
| C1 | N5 | N4 | C6 | 177.9° | 180.0° |
| C1 | N5 | C6 | C7 | 133.1° | 43.3° |
| C1 | N5 | C6 | C11 | 47.7° | 137.1° |
| N5 | C1 | C16 | C17 | 140.7° | 141.8° |
| N5 | C1 | C16 | C21 | 95.9° | 98.5° |
| N5 | C1 | C2 | H2 | 179.7° | 180.0° |
| N5 | C1 | C16 | H16 | 21.2° | 21.7° |
| C16 | C1 | C2 | C3 | 179.5° | 179.7° |
| C16 | C1 | N5 | N4 | 178.9° | 179.8° |
| C16 | C1 | N5 | C6 | 1.3° | 0.3° |
| C1 | C16 | C17 | C21 | 126.0° | 119.9° |
| C1 | C16 | C17 | H16 | 116.5° | 120.1° |
| C1 | C16 | C21 | H16 | 116.2° | 120.1° |
| C1 | C16 | C17 | C18 | 177.3° | 177.6° |
| C1 | C16 | C21 | C20 | 179.7° | 177.5° |
| C16 | C1 | C2 | H2 | 0.4° | 0.3° |
| C1 | C16 | C17 | H17 | 57.2° | 62.5° |
| C1 | C16 | C17 | H17A | 62.7° | 57.7° |
| C1 | C16 | C21 | H21 | 60.3° | 57.7° |
| C1 | C16 | C21 | H21A | 59.7° | 62.5° |
| C2 | C3 | N4 | C12 | 180.0° | 180.0° |
| C2 | C3 | N4 | N5 | 0.8° | 0.0° |
| C2 | C3 | C12 | F13 | 145.6° | 90.0° |
| C2 | C3 | C12 | F14 | 24.8° | 150.0° |
| C2 | C3 | C12 | F15 | 95.8° | 30.0° |
| C3 | N4 | N5 | C6 | 179.0° | 180.0° |
| N4 | C3 | C12 | F13 | 34.4° | 90.0° |
| N4 | C3 | C12 | F14 | 155.2° | 30.0° |
| N4 | C3 | C12 | F15 | 84.2° | 149.9° |
| N4 | C3 | C2 | H2 | 179.6° | 180.0° |
| C12 | C3 | N4 | N5 | 179.1° | 180.0° |
| C3 | C12 | F13 | F14 | 120.1° | 120.0° |
| C3 | C12 | F13 | F15 | 117.1° | 120.0° |
| C3 | C12 | F14 | F15 | 118.8° | 120.0° |
| C12 | C3 | C2 | H2 | 0.4° | 0.0° |
| N4 | N5 | C6 | C7 | 44.5° | 136.7° |
| N4 | N5 | C6 | C11 | 134.7° | 43.0° |
| N5 | C6 | C7 | C11 | 179.3° | 179.7° |
| N5 | C6 | C7 | C8 | 180.0° | 180.0° |
| N5 | C6 | C11 | C10 | 179.9° | 179.7° |
| N5 | C6 | C7 | H7 | 0.0° | 0.1° |
| N5 | C6 | C11 | H11 | 0.1° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.0° |
| C7 | C6 | C11 | C10 | 0.9° | 0.6° |
| C6 | C7 | C8 | H8 | 179.5° | 179.9° |
| C7 | C6 | C11 | H11 | 179.1° | 179.7° |
| C11 | C6 | C7 | C8 | 0.7° | 0.3° |
| C6 | C11 | C10 | C9 | 0.8° | 0.6° |
| C6 | C11 | C10 | H11 | 180.0° | 179.7° |
| C11 | C6 | C7 | H7 | 179.3° | 179.7° |
| C6 | C11 | C10 | H10 | 179.2° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.3° | 0.0° |
| C7 | C8 | C9 | H9 | 179.7° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.5° | 0.3° |
| C9 | C8 | C7 | H7 | 179.5° | 179.9° |
| C8 | C9 | C10 | H10 | 179.5° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C10 | C9 | C8 | H8 | 179.7° | 179.9° |
| C9 | C10 | C11 | H11 | 179.2° | 179.7° |
| C11 | C10 | C9 | H9 | 179.5° | 179.7° |
| F13 | C12 | F14 | F15 | 122.3° | 119.9° |
| C17 | C16 | C21 | H16 | 119.6° | 120.0° |
| C16 | C17 | C18 | H17 | 120.0° | 119.9° |
| C16 | C17 | C18 | H17A | 120.0° | 119.9° |
| C16 | C17 | C18 | N19 | 55.5° | 59.2° |
| C17 | C16 | C21 | C20 | 56.2° | 57.7° |
| C16 | C17 | H17 | H17A | 119.0° | 120.1° |
| C16 | C17 | C18 | H18 | 64.5° | 60.9° |
| C16 | C17 | C18 | H18A | 175.5° | 179.2° |
| C17 | C16 | C21 | H21 | 63.8° | 62.2° |
| C17 | C16 | C21 | H21A | 176.2° | 177.6° |
| C21 | C16 | C17 | C18 | 56.7° | 57.7° |
| C16 | C21 | C20 | N19 | 54.6° | 59.1° |
| C16 | C21 | C20 | H21 | 120.0° | 119.9° |
| C16 | C21 | C20 | H21A | 120.0° | 120.0° |
| C21 | C16 | C17 | H17 | 176.7° | 177.6° |
| C21 | C16 | C17 | H17A | 63.3° | 62.2° |
| C16 | C21 | C20 | H20 | 65.4° | 60.8° |
| C16 | C21 | C20 | H20A | 174.6° | 179.2° |
| C16 | C21 | H21 | H21A | 119.2° | 120.1° |
| C17 | C18 | N19 | H18 | 120.0° | 120.1° |
| C17 | C18 | N19 | H18A | 120.0° | 120.0° |
| C17 | C18 | N19 | C20 | 57.2° | 61.8° |
| C17 | C18 | N19 | C22 | 172.8° | 174.1° |
| C18 | C17 | C16 | H16 | 60.7° | 62.4° |
| C18 | C17 | H17 | H17A | 119.0° | 120.1° |
| C17 | C18 | H18 | H18A | 120.5° | 120.0° |
| C18 | N19 | C20 | C22 | 128.4° | 124.1° |
| C18 | N19 | C20 | C21 | 57.0° | 61.7° |
| C18 | N19 | C22 | C23 | 59.7° | 175.0° |
| C18 | N19 | C22 | C26 | 174.6° | 72.7° |
| N19 | C18 | C17 | H17 | 175.5° | 179.1° |
| N19 | C18 | C17 | H17A | 64.5° | 60.7° |
| N19 | C18 | H18 | H18A | 120.5° | 119.9° |
| C18 | N19 | C20 | H20 | 63.0° | 58.3° |
| C18 | N19 | C20 | H20A | 177.0° | 178.3° |
| C18 | N19 | C22 | H22 | 62.9° | 51.1° |
| N19 | C20 | C21 | H20 | 120.0° | 120.0° |
| N19 | C20 | C21 | H20A | 120.0° | 120.0° |
| C20 | N19 | C22 | C23 | 168.4° | 60.7° |
| C20 | N19 | C22 | C26 | 53.4° | 51.5° |
| C20 | N19 | C18 | H18 | 62.8° | 58.3° |
| C20 | N19 | C18 | H18A | 177.2° | 178.2° |
| N19 | C20 | H20 | H20A | 120.4° | 120.0° |
| N19 | C20 | C21 | H21 | 65.4° | 60.7° |
| N19 | C20 | C21 | H21A | 174.6° | 179.1° |
| C20 | N19 | C22 | H22 | 69.0° | 175.4° |
| C22 | N19 | C20 | C21 | 174.6° | 174.1° |
| N19 | C22 | C23 | C26 | 121.4° | 118.1° |
| N19 | C22 | C23 | H22 | 116.3° | 123.8° |
| N19 | C22 | C26 | H22 | 116.3° | 123.8° |
| N19 | C22 | C23 | C24 | 159.9° | 153.7° |
| N19 | C22 | C26 | N25 | 154.0° | 155.2° |
| C22 | N19 | C18 | H18 | 67.2° | 65.8° |
| C22 | N19 | C18 | H18A | 52.8° | 54.1° |
| C22 | N19 | C20 | H20 | 65.4° | 65.9° |
| C22 | N19 | C20 | H20A | 54.6° | 54.1° |
| N19 | C22 | C23 | H23 | 80.1° | 87.9° |
| N19 | C22 | C23 | H23A | 39.9° | 35.3° |
| N19 | C22 | C26 | H26 | 34.0° | 36.3° |
| N19 | C22 | C26 | H26A | 86.0° | 86.0° |
| C20 | C21 | C16 | H16 | 63.5° | 62.3° |
| C21 | C20 | H20 | H20A | 120.4° | 120.0° |
| C20 | C21 | H21 | H21A | 119.2° | 120.1° |
| C23 | C22 | C26 | H22 | 122.5° | 118.1° |
| C22 | C23 | C24 | H23 | 120.0° | 118.4° |
| C22 | C23 | C24 | H23A | 120.0° | 118.4° |
| C22 | C23 | C24 | N25 | 29.0° | 22.3° |
| C22 | C23 | C24 | C27 | 151.9° | 141.7° |
| C23 | C22 | C26 | N25 | 32.8° | 37.1° |
| C22 | C23 | H23 | H23A | 122.3° | 123.2° |
| C22 | C23 | C24 | H24 | 92.8° | 97.1° |
| C23 | C22 | C26 | H26 | 87.2° | 81.8° |
| C23 | C22 | C26 | H26A | 152.8° | 155.9° |
| C26 | C22 | C23 | C24 | 38.4° | 35.6° |
| C22 | C26 | N25 | C24 | 15.7° | 24.1° |
| C22 | C26 | N25 | H26 | 120.0° | 118.9° |
| C22 | C26 | N25 | H26A | 120.0° | 118.8° |
| C26 | C22 | C23 | H23 | 158.4° | 154.0° |
| C26 | C22 | C23 | H23A | 81.6° | 82.8° |
| C22 | C26 | N25 | HN25 | 104.3° | 98.1° |
| C22 | C26 | H26 | H26A | 122.5° | 122.3° |
| C23 | C24 | N25 | C27 | 123.0° | 119.4° |
| C23 | C24 | N25 | H24 | 121.6° | 119.4° |
| C23 | C24 | C27 | H24 | 121.4° | 121.1° |
| C23 | C24 | N25 | C26 | 8.4° | 1.0° |
| C23 | C24 | C27 | N28 | 93.1° | 80.0° |
| C23 | C24 | C27 | O33 | 88.5° | 100.0° |
| C24 | C23 | C22 | H22 | 83.8° | 82.5° |
| C24 | C23 | H23 | H23A | 122.3° | 123.1° |
| C23 | C24 | N25 | HN25 | 128.5° | 121.2° |
| N25 | C24 | C27 | H24 | 121.6° | 121.1° |
| C24 | N25 | C26 | HN25 | 120.0° | 122.2° |
| N25 | C24 | C27 | N28 | 149.9° | 162.2° |
| N25 | C24 | C27 | O33 | 28.5° | 17.7° |
| N25 | C24 | C23 | H23 | 149.0° | 140.7° |
| N25 | C24 | C23 | H23A | 91.0° | 96.2° |
| C24 | N25 | C26 | H26 | 104.3° | 94.7° |
| C24 | N25 | C26 | H26A | 135.7° | 142.9° |
| C27 | C24 | N25 | C26 | 131.5° | 118.4° |
| C24 | C27 | N28 | O33 | 178.4° | 180.0° |
| C24 | C27 | N28 | C29 | 0.7° | 180.0° |
| C24 | C27 | N28 | C32 | 179.8° | 0.3° |
| C27 | C24 | C23 | H23 | 88.1° | 99.9° |
| C27 | C24 | C23 | H23A | 31.9° | 23.3° |
| C27 | C24 | N25 | HN25 | 108.5° | 119.4° |
| N25 | C26 | C22 | H22 | 89.7° | 81.0° |
| C26 | N25 | C24 | H24 | 113.2° | 120.4° |
| N25 | C26 | H26 | H26A | 122.5° | 122.3° |
| C27 | N28 | C29 | C32 | 179.5° | 179.7° |
| C27 | N28 | C29 | C30 | 168.7° | 178.9° |
| C27 | N28 | C32 | S31 | 163.9° | 155.1° |
| N28 | C27 | C24 | H24 | 28.4° | 41.1° |
| C27 | N28 | C29 | H29 | 71.3° | 57.9° |
| C27 | N28 | C29 | H29A | 48.6° | 60.1° |
| C27 | N28 | C32 | H32 | 43.9° | 86.5° |
| C27 | N28 | C32 | H32A | 76.1° | 37.0° |
| O33 | C27 | N28 | C29 | 179.1° | 0.0° |
| O33 | C27 | N28 | C32 | 1.4° | 179.6° |
| O33 | C27 | C24 | H24 | 150.1° | 138.9° |
| N28 | C29 | C30 | H29 | 120.0° | 121.0° |
| N28 | C29 | C30 | H29A | 120.0° | 121.0° |
| N28 | C29 | C30 | S31 | 0.3° | 23.1° |
| C29 | N28 | C32 | S31 | 15.6° | 25.2° |
| N28 | C29 | H29 | H29A | 119.2° | 118.1° |
| N28 | C29 | C30 | H30 | 120.3° | 141.1° |
| N28 | C29 | C30 | H30A | 119.7° | 94.9° |
| C29 | N28 | C32 | H32 | 135.6° | 93.2° |
| C29 | N28 | C32 | H32A | 104.4° | 143.4° |
| C32 | N28 | C29 | C30 | 10.8° | 1.4° |
| N28 | C32 | S31 | C30 | 13.0° | 33.8° |
| N28 | C32 | S31 | H32 | 120.0° | 118.3° |
| N28 | C32 | S31 | H32A | 120.0° | 118.2° |
| C32 | N28 | C29 | H29 | 109.1° | 122.4° |
| C32 | N28 | C29 | H29A | 130.9° | 119.6° |
| N28 | C32 | H32 | H32A | 121.6° | 123.4° |
| C29 | C30 | S31 | H30 | 120.0° | 118.0° |
| C29 | C30 | S31 | H30A | 120.0° | 118.0° |
| C29 | C30 | S31 | C32 | 7.6° | 32.4° |
| C30 | C29 | H29 | H29A | 119.2° | 118.2° |
| C29 | C30 | H30 | H30A | 120.5° | 124.1° |
| S31 | C30 | C29 | H29 | 119.7° | 97.9° |
| S31 | C30 | C29 | H29A | 120.3° | 144.0° |
| S31 | C30 | H30 | H30A | 120.5° | 124.0° |
| C30 | S31 | C32 | H32 | 133.0° | 84.6° |
| C30 | S31 | C32 | H32A | 107.0° | 151.9° |
| C32 | S31 | C30 | H30 | 112.4° | 150.5° |
| C32 | S31 | C30 | H30A | 127.6° | 85.6° |
| S31 | C32 | H32 | H32A | 121.6° | 123.5° |
| H7 | C7 | C8 | H8 | 0.5° | 0.0° |
| H8 | C8 | C9 | H9 | 0.3° | 0.1° |
| H9 | C9 | C10 | H10 | 0.5° | 0.0° |
| H10 | C10 | C11 | H11 | 0.8° | 0.0° |
| H16 | C16 | C17 | H17 | 59.3° | 57.6° |
| H16 | C16 | C17 | H17A | 179.2° | 177.7° |
| H16 | C16 | C21 | H21 | 176.5° | 177.8° |
| H16 | C16 | C21 | H21A | 56.5° | 57.6° |
| H17 | C17 | C18 | H18 | 55.6° | 59.1° |
| H17 | C17 | C18 | H18A | 64.5° | 60.9° |
| H17A | C17 | C18 | H18 | 175.6° | 179.2° |
| H17A | C17 | C18 | H18A | 55.5° | 59.3° |
| H20 | C20 | C21 | H21 | 174.6° | 179.3° |
| H20 | C20 | C21 | H21A | 54.6° | 59.1° |
| H20A | C20 | C21 | H21 | 54.6° | 59.3° |
| H20A | C20 | C21 | H21A | 65.4° | 60.9° |
| H22 | C22 | C23 | H23 | 36.2° | 36.0° |
| H22 | C22 | C23 | H23A | 156.2° | 159.2° |
| H22 | C22 | C26 | H26 | 150.3° | 160.1° |
| H22 | C22 | C26 | H26A | 30.3° | 37.8° |
| H23 | C23 | C24 | H24 | 27.2° | 21.3° |
| H23A | C23 | C24 | H24 | 147.3° | 144.5° |
| H24 | C24 | N25 | HN25 | 6.8° | 1.9° |
| HN25 | N25 | C26 | H26 | 135.7° | 143.0° |
| HN25 | N25 | C26 | H26A | 15.7° | 20.7° |
| H29 | C29 | C30 | H30 | 0.3° | 20.1° |
| H29 | C29 | C30 | H30A | 120.3° | 144.1° |
| H29A | C29 | C30 | H30 | 119.7° | 98.0° |
| H29A | C29 | C30 | H30A | 0.3° | 26.1° |
