4MS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C13 | sing | 1.47Å | 1.48Å | |
| C7 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C22 | sing | 1.51Å | 1.52Å | |
| C10 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | F34 | sing | 1.35Å | 1.35Å | |
| C13 | C14 | sing | 1.48Å | 1.47Å | |
| C13 | N25 | doub | 1.30Å | 1.30Å | |
| C15 | C17 | sing | 1.51Å | 1.50Å | |
| C15 | O33 | sing | 1.34Å | 1.36Å | |
| C15 | C14 | doub | 1.36Å | 1.34Å | |
| C17 | C24 | sing | 1.53Å | 1.56Å | |
| C17 | N26 | sing | 1.47Å | 1.47Å | |
| C20 | C24 | sing | 1.53Å | 1.55Å | |
| C21 | S36 | sing | 1.81Å | 1.78Å | |
| C22 | N26 | sing | 1.47Å | 1.45Å | |
| C24 | C19 | sing | 1.53Å | 1.55Å | |
| C24 | C18 | sing | 1.53Å | 1.55Å | |
| CL37 | C12 | sing | 1.74Å | 1.72Å | |
| N26 | C16 | sing | 1.34Å | 1.38Å | |
| C16 | O28 | doub | 1.22Å | 1.22Å | |
| C16 | C14 | sing | 1.47Å | 1.48Å | |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| N25 | S35 | sing | 1.67Å | 1.65Å | |
| S35 | O29 | doub | 1.42Å | 1.45Å | |
| S35 | O30 | doub | 1.42Å | 1.44Å | |
| S35 | C11 | sing | 1.77Å | 1.74Å | |
| C11 | C9 | doub | 1.37Å | 1.38Å | Aromatic |
| C9 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C23 | sing | 1.51Å | 1.48Å | |
| C3 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | N27 | sing | 1.47Å | 1.44Å | |
| N27 | S36 | sing | 1.66Å | 1.70Å | |
| S36 | O31 | doub | 1.42Å | 1.46Å | |
| S36 | O32 | doub | 1.42Å | 1.44Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| N27 | HN27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C8 | 121.7° | 120.1° |
| C4 | C5 | C10 | 119.4° | 120.0° |
| C5 | C4 | H4 | 119.1° | 120.0° |
| C4 | C5 | H5 | 120.3° | 120.0° |
| C4 | C8 | C6 | 119.1° | 120.1° |
| C4 | C8 | C22 | 119.8° | 120.0° |
| C8 | C4 | H4 | 119.2° | 120.0° |
| C5 | C10 | C12 | 119.0° | 120.0° |
| C5 | C10 | F34 | 118.5° | 120.0° |
| C10 | C5 | H5 | 120.3° | 120.0° |
| C8 | C6 | C12 | 119.7° | 120.0° |
| C6 | C8 | C22 | 121.0° | 119.9° |
| C8 | C6 | H6 | 120.1° | 120.0° |
| C6 | C12 | C10 | 121.2° | 120.0° |
| C6 | C12 | CL37 | 117.9° | 120.0° |
| C12 | C6 | H6 | 120.2° | 120.0° |
| C13 | C7 | C2 | 132.8° | 130.5° |
| C13 | C7 | C11 | 108.4° | 112.1° |
| C7 | C13 | C14 | 122.6° | 120.6° |
| C7 | C13 | N25 | 115.7° | 118.9° |
| C2 | C7 | C11 | 118.8° | 117.4° |
| C7 | C2 | C1 | 119.8° | 120.3° |
| C7 | C2 | H2 | 120.1° | 119.8° |
| C7 | C11 | S35 | 109.6° | 103.2° |
| C7 | C11 | C9 | 122.8° | 122.1° |
| C8 | C22 | N26 | 103.5° | 109.5° |
| C8 | C22 | H22 | 111.5° | 109.5° |
| C8 | C22 | H22A | 112.8° | 109.5° |
| C12 | C10 | F34 | 122.5° | 120.0° |
| C10 | C12 | CL37 | 120.9° | 120.0° |
| C14 | C13 | N25 | 121.5° | 120.5° |
| C13 | C14 | C15 | 127.1° | 125.4° |
| C13 | C14 | C16 | 126.4° | 125.4° |
| C13 | N25 | S35 | 111.8° | 106.2° |
| C17 | C15 | O33 | 120.2° | 126.7° |
| C17 | C15 | C14 | 114.7° | 106.5° |
| C15 | C17 | C24 | 110.2° | 110.2° |
| C15 | C17 | N26 | 99.0° | 106.0° |
| C15 | C17 | H17 | 116.7° | 110.1° |
| O33 | C15 | C14 | 125.1° | 126.8° |
| C15 | O33 | HO33 | 109.5° | 117.0° |
| C15 | C14 | C16 | 106.0° | 109.3° |
| C24 | C17 | N26 | 112.5° | 110.2° |
| C17 | C24 | C20 | 110.1° | 109.5° |
| C17 | C24 | C19 | 111.9° | 109.5° |
| C17 | C24 | C18 | 113.8° | 109.5° |
| C24 | C17 | H17 | 104.2° | 110.1° |
| C17 | N26 | C22 | 125.0° | 126.0° |
| C17 | N26 | C16 | 113.1° | 108.0° |
| N26 | C17 | H17 | 114.5° | 110.2° |
| C20 | C24 | C19 | 109.7° | 109.4° |
| C20 | C24 | C18 | 105.9° | 109.5° |
| C24 | C20 | H20 | 109.5° | 109.5° |
| C24 | C20 | H20A | 109.5° | 109.5° |
| C24 | C20 | H20B | 109.4° | 109.4° |
| C21 | S36 | N27 | 100.9° | 104.4° |
| C21 | S36 | O31 | 106.7° | 110.6° |
| C21 | S36 | O32 | 106.5° | 110.6° |
| S36 | C21 | H21 | 109.5° | 109.5° |
| S36 | C21 | H21A | 109.5° | 109.5° |
| S36 | C21 | H21B | 109.5° | 109.5° |
| C22 | N26 | C16 | 121.8° | 126.0° |
| N26 | C22 | H22 | 111.5° | 109.4° |
| N26 | C22 | H22A | 112.8° | 109.5° |
| C19 | C24 | C18 | 105.2° | 109.4° |
| C24 | C19 | H19 | 109.5° | 109.5° |
| C24 | C19 | H19A | 109.5° | 109.5° |
| C24 | C19 | H19B | 109.5° | 109.5° |
| C24 | C18 | H18 | 109.5° | 109.4° |
| C24 | C18 | H18A | 109.5° | 109.5° |
| C24 | C18 | H18B | 109.4° | 109.5° |
| N26 | C16 | O28 | 126.7° | 124.9° |
| N26 | C16 | C14 | 107.1° | 110.2° |
| O28 | C16 | C14 | 126.1° | 124.9° |
| C2 | C1 | C3 | 120.6° | 120.9° |
| C1 | C2 | H2 | 120.1° | 119.9° |
| C2 | C1 | H1 | 119.7° | 119.5° |
| N25 | S35 | O29 | 107.9° | 107.6° |
| N25 | S35 | O30 | 111.0° | 107.6° |
| N25 | S35 | C11 | 94.5° | 99.6° |
| O29 | S35 | O30 | 122.7° | 124.2° |
| O29 | S35 | C11 | 109.9° | 107.4° |
| O30 | S35 | C11 | 107.2° | 107.8° |
| S35 | C11 | C9 | 127.6° | 134.7° |
| C11 | C9 | C3 | 118.6° | 119.7° |
| C11 | C9 | C23 | 120.3° | 120.2° |
| C3 | C9 | C23 | 121.1° | 120.1° |
| C9 | C3 | C1 | 119.5° | 119.5° |
| C9 | C3 | H3 | 120.3° | 120.3° |
| C9 | C23 | N27 | 114.1° | 109.5° |
| C9 | C23 | H23 | 107.9° | 109.5° |
| C9 | C23 | H23A | 106.9° | 109.4° |
| C1 | C3 | H3 | 120.3° | 120.2° |
| C3 | C1 | H1 | 119.7° | 119.5° |
| C23 | N27 | S36 | 113.3° | 120.0° |
| N27 | C23 | H23 | 108.0° | 109.5° |
| N27 | C23 | H23A | 106.9° | 109.4° |
| C23 | N27 | HN27 | 108.2° | 120.0° |
| N27 | S36 | O31 | 108.9° | 104.3° |
| N27 | S36 | O32 | 110.6° | 104.2° |
| S36 | N27 | HN27 | 108.2° | 120.0° |
| O31 | S36 | O32 | 121.1° | 121.0° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H20 | C20 | H20B | 109.4° | 109.4° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| H21 | C21 | H21A | 109.4° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.4° |
| H22 | C22 | H22A | 104.9° | 109.5° |
| H19 | C19 | H19A | 109.5° | 109.5° |
| H19 | C19 | H19B | 109.5° | 109.4° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.4° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| H23 | C23 | H23A | 113.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C8 | H4 | 180.0° | 179.6° |
| C4 | C5 | C10 | H5 | 180.0° | 179.9° |
| C5 | C4 | C8 | C6 | 1.1° | 0.0° |
| C5 | C4 | C8 | C22 | 178.6° | 180.0° |
| C4 | C5 | C10 | C12 | 0.1° | 0.0° |
| C4 | C5 | C10 | F34 | 179.7° | 179.9° |
| C8 | C4 | C5 | C10 | 0.5° | 0.0° |
| C4 | C8 | C6 | C22 | 177.5° | 180.0° |
| C4 | C8 | C6 | C12 | 1.3° | 0.0° |
| C4 | C8 | C22 | N26 | 41.4° | 90.0° |
| C8 | C4 | C5 | H5 | 179.6° | 180.0° |
| C4 | C8 | C6 | H6 | 178.7° | 180.0° |
| C4 | C8 | C22 | H22 | 161.4° | 150.1° |
| C4 | C8 | C22 | H22A | 80.8° | 30.0° |
| C5 | C10 | C12 | C6 | 0.3° | 0.1° |
| C5 | C10 | C12 | F34 | 179.8° | 179.9° |
| C5 | C10 | C12 | CL37 | 179.5° | 179.9° |
| C10 | C5 | C4 | H4 | 179.5° | 179.7° |
| C8 | C6 | C12 | H6 | 180.0° | 180.0° |
| C8 | C6 | C12 | C10 | 1.0° | 0.1° |
| C6 | C8 | C22 | N26 | 136.1° | 90.0° |
| C8 | C6 | C12 | CL37 | 178.8° | 179.9° |
| C6 | C8 | C4 | H4 | 178.9° | 179.7° |
| C6 | C8 | C22 | H22 | 16.1° | 30.0° |
| C6 | C8 | C22 | H22A | 101.7° | 150.0° |
| C12 | C6 | C8 | C22 | 178.9° | 180.0° |
| C6 | C12 | C10 | CL37 | 179.8° | 179.8° |
| C6 | C12 | C10 | F34 | 179.4° | 180.0° |
| C13 | C7 | C2 | C11 | 179.0° | 179.7° |
| C7 | C13 | C14 | N25 | 174.9° | 180.0° |
| C7 | C13 | C14 | C15 | 168.5° | 104.4° |
| C7 | C13 | C14 | C16 | 20.6° | 75.1° |
| C13 | C7 | C2 | C1 | 179.2° | 180.0° |
| C7 | C13 | N25 | S35 | 0.8° | 0.0° |
| C13 | C7 | C11 | S35 | 0.2° | 0.4° |
| C13 | C7 | C11 | C9 | 179.0° | 179.9° |
| C13 | C7 | C2 | H2 | 0.8° | 0.0° |
| C2 | C7 | C13 | C14 | 5.1° | 0.0° |
| C2 | C7 | C13 | N25 | 179.7° | 180.0° |
| C7 | C2 | C1 | H2 | 180.0° | 180.0° |
| C2 | C7 | C11 | S35 | 179.4° | 179.9° |
| C2 | C7 | C11 | C9 | 0.2° | 0.2° |
| C7 | C2 | C1 | C3 | 0.4° | 0.1° |
| C7 | C2 | C1 | H1 | 179.6° | 179.9° |
| C11 | C7 | C13 | C14 | 175.8° | 179.7° |
| C11 | C7 | C13 | N25 | 0.6° | 0.3° |
| C11 | C7 | C2 | C1 | 0.2° | 0.3° |
| C7 | C11 | S35 | N25 | 0.2° | 0.4° |
| C7 | C11 | S35 | O29 | 111.1° | 112.3° |
| C7 | C11 | S35 | O30 | 113.4° | 111.7° |
| C7 | C11 | S35 | C9 | 179.2° | 179.6° |
| C7 | C11 | C9 | C3 | 0.3° | 0.0° |
| C7 | C11 | C9 | C23 | 179.9° | 180.0° |
| C11 | C7 | C2 | H2 | 179.8° | 179.7° |
| C8 | C22 | N26 | C17 | 76.9° | 96.6° |
| C8 | C22 | N26 | H22 | 120.0° | 120.0° |
| C8 | C22 | N26 | H22A | 122.2° | 120.0° |
| C8 | C22 | N26 | C16 | 99.6° | 83.5° |
| C22 | C8 | C4 | H4 | 1.3° | 0.3° |
| C22 | C8 | C6 | H6 | 1.1° | 0.0° |
| C8 | C22 | H22 | H22A | 122.4° | 120.0° |
| C12 | C10 | C5 | H5 | 180.0° | 179.9° |
| C10 | C12 | C6 | H6 | 179.0° | 179.9° |
| F34 | C10 | C12 | CL37 | 0.7° | 0.2° |
| F34 | C10 | C5 | H5 | 0.2° | 0.0° |
| C13 | C14 | C15 | C17 | 173.9° | 180.0° |
| C13 | C14 | C15 | O33 | 5.8° | 0.3° |
| C13 | C14 | C15 | C16 | 172.4° | 179.5° |
| C13 | C14 | C16 | N26 | 175.0° | 180.0° |
| C13 | C14 | C16 | O28 | 7.2° | 0.2° |
| C14 | C13 | N25 | S35 | 176.0° | 180.0° |
| N25 | C13 | C14 | C15 | 16.7° | 75.6° |
| N25 | C13 | C14 | C16 | 154.3° | 105.0° |
| C13 | N25 | S35 | O29 | 113.2° | 112.0° |
| C13 | N25 | S35 | O30 | 109.8° | 112.0° |
| C13 | N25 | S35 | C11 | 0.6° | 0.2° |
| C17 | C15 | O33 | C14 | 179.8° | 179.6° |
| C15 | C17 | C24 | N26 | 109.5° | 116.6° |
| C15 | C17 | C24 | H17 | 125.9° | 121.7° |
| C15 | C17 | N26 | H17 | 124.9° | 119.1° |
| C15 | C17 | C24 | C20 | 70.4° | 53.7° |
| C15 | C17 | N26 | C22 | 175.1° | 180.0° |
| C15 | C17 | C24 | C19 | 51.8° | 173.7° |
| C15 | C17 | C24 | C18 | 171.0° | 66.3° |
| C15 | C17 | N26 | C16 | 1.7° | 0.1° |
| C17 | C15 | C14 | C16 | 1.5° | 0.5° |
| C17 | C15 | O33 | HO33 | 1.9° | 175.1° |
| O33 | C15 | C17 | C24 | 61.6° | 60.8° |
| O33 | C15 | C17 | N26 | 179.8° | 180.0° |
| O33 | C15 | C14 | C16 | 178.3° | 179.8° |
| O33 | C15 | C17 | H17 | 56.9° | 60.8° |
| C14 | C15 | C17 | C24 | 118.1° | 118.8° |
| C14 | C15 | C17 | N26 | 0.0° | 0.3° |
| C15 | C14 | C16 | N26 | 2.5° | 0.5° |
| C15 | C14 | C16 | O28 | 179.7° | 179.8° |
| C14 | C15 | C17 | H17 | 123.4° | 119.5° |
| C14 | C15 | O33 | HO33 | 178.3° | 5.3° |
| C24 | C17 | N26 | H17 | 118.7° | 121.7° |
| C17 | C24 | C20 | C19 | 123.5° | 120.0° |
| C17 | C24 | C20 | C18 | 123.4° | 120.0° |
| C24 | C17 | N26 | C22 | 68.5° | 60.9° |
| C17 | C24 | C19 | C18 | 124.1° | 120.0° |
| C24 | C17 | N26 | C16 | 114.7° | 119.1° |
| C17 | C24 | C20 | H20 | 119.7° | 59.9° |
| C17 | C24 | C20 | H20A | 120.3° | 180.0° |
| C17 | C24 | C20 | H20B | 0.3° | 60.0° |
| C17 | C24 | C19 | H19 | 173.0° | 85.2° |
| C17 | C24 | C19 | H19A | 53.0° | 154.8° |
| C17 | C24 | C19 | H19B | 67.0° | 34.8° |
| C17 | C24 | C18 | H18 | 71.5° | 60.1° |
| C17 | C24 | C18 | H18A | 168.5° | 180.0° |
| C17 | C24 | C18 | H18B | 48.5° | 60.0° |
| N26 | C17 | C24 | C20 | 179.9° | 170.3° |
| C17 | N26 | C22 | C16 | 176.5° | 180.0° |
| N26 | C17 | C24 | C19 | 57.6° | 69.7° |
| N26 | C17 | C24 | C18 | 61.5° | 50.2° |
| C17 | N26 | C16 | O28 | 179.5° | 180.0° |
| C17 | N26 | C16 | C14 | 2.6° | 0.2° |
| C17 | N26 | C22 | H22 | 43.1° | 23.4° |
| C17 | N26 | C22 | H22A | 160.9° | 143.4° |
| C20 | C24 | C19 | C18 | 113.5° | 120.0° |
| C20 | C24 | C17 | H17 | 55.5° | 67.9° |
| C24 | C20 | H20 | H20A | 120.0° | 120.1° |
| C24 | C20 | H20 | H20B | 120.0° | 119.9° |
| C24 | C20 | H20A | H20B | 120.0° | 120.0° |
| C20 | C24 | C19 | H19 | 64.5° | 154.8° |
| C20 | C24 | C19 | H19A | 175.5° | 34.8° |
| C20 | C24 | C19 | H19B | 55.5° | 85.2° |
| C20 | C24 | C18 | H18 | 167.5° | 60.0° |
| C20 | C24 | C18 | H18A | 47.5° | 59.9° |
| C20 | C24 | C18 | H18B | 72.5° | 179.9° |
| C21 | S36 | N27 | C23 | 88.4° | 65.0° |
| C21 | S36 | N27 | O31 | 112.1° | 116.1° |
| C21 | S36 | N27 | O32 | 112.5° | 116.1° |
| C21 | S36 | O31 | O32 | 121.9° | 131.6° |
| S36 | C21 | H21 | H21A | 120.0° | 120.0° |
| S36 | C21 | H21 | H21B | 120.0° | 120.1° |
| S36 | C21 | H21A | H21B | 120.0° | 120.0° |
| C21 | S36 | N27 | HN27 | 31.6° | 114.9° |
| C22 | N26 | C16 | O28 | 3.6° | 0.0° |
| C22 | N26 | C16 | C14 | 174.3° | 179.7° |
| C22 | N26 | C17 | H17 | 50.2° | 60.9° |
| N26 | C22 | H22 | H22A | 122.4° | 120.0° |
| C19 | C24 | C17 | H17 | 177.7° | 52.1° |
| C19 | C24 | C20 | H20 | 116.8° | 60.1° |
| C19 | C24 | C20 | H20A | 3.2° | 60.0° |
| C19 | C24 | C20 | H20B | 123.2° | 180.0° |
| C24 | C19 | H19 | H19A | 120.0° | 120.0° |
| C24 | C19 | H19 | H19B | 120.0° | 120.0° |
| C24 | C19 | H19A | H19B | 120.0° | 120.0° |
| C19 | C24 | C18 | H18 | 51.3° | 180.0° |
| C19 | C24 | C18 | H18A | 68.7° | 60.0° |
| C19 | C24 | C18 | H18B | 171.3° | 60.0° |
| C18 | C24 | C17 | H17 | 63.1° | 172.0° |
| C18 | C24 | C20 | H20 | 3.7° | 180.0° |
| C18 | C24 | C20 | H20A | 116.3° | 60.0° |
| C18 | C24 | C20 | H20B | 123.7° | 60.1° |
| C18 | C24 | C19 | H19 | 49.0° | 34.8° |
| C18 | C24 | C19 | H19A | 71.0° | 85.2° |
| C18 | C24 | C19 | H19B | 169.0° | 154.8° |
| C24 | C18 | H18 | H18A | 120.0° | 119.9° |
| C24 | C18 | H18 | H18B | 120.0° | 120.0° |
| C24 | C18 | H18A | H18B | 120.0° | 120.0° |
| CL37 | C12 | C6 | H6 | 1.2° | 0.1° |
| N26 | C16 | O28 | C14 | 177.4° | 179.7° |
| C16 | N26 | C17 | H17 | 126.6° | 119.2° |
| C16 | N26 | C22 | H22 | 140.4° | 156.5° |
| C16 | N26 | C22 | H22A | 22.6° | 36.5° |
| C2 | C1 | C3 | C9 | 0.2° | 0.1° |
| C2 | C1 | C3 | H1 | 180.0° | 179.8° |
| C2 | C1 | C3 | H3 | 179.7° | 179.9° |
| N25 | S35 | O29 | O30 | 130.8° | 126.8° |
| N25 | S35 | O29 | C11 | 101.8° | 106.4° |
| N25 | S35 | O30 | C11 | 102.0° | 106.6° |
| N25 | S35 | C11 | C9 | 179.4° | 180.0° |
| O29 | S35 | O30 | C11 | 128.5° | 126.7° |
| O29 | S35 | C11 | C9 | 69.8° | 68.1° |
| O30 | S35 | C11 | C9 | 65.8° | 67.8° |
| S35 | C11 | C9 | C3 | 179.4° | 179.5° |
| S35 | C11 | C9 | C23 | 0.9° | 0.5° |
| C11 | C9 | C3 | C23 | 179.7° | 179.9° |
| C11 | C9 | C3 | C1 | 0.1° | 0.2° |
| C11 | C9 | C23 | N27 | 162.8° | 80.0° |
| C11 | C9 | C3 | H3 | 179.9° | 180.0° |
| C11 | C9 | C23 | H23 | 77.1° | 160.0° |
| C11 | C9 | C23 | H23A | 44.9° | 39.9° |
| C9 | C3 | C1 | H3 | 180.0° | 179.8° |
| C3 | C9 | C23 | N27 | 16.9° | 100.1° |
| C9 | C3 | C1 | H1 | 179.7° | 179.7° |
| C3 | C9 | C23 | H23 | 103.1° | 20.0° |
| C3 | C9 | C23 | H23A | 134.8° | 140.0° |
| C23 | C9 | C3 | C1 | 179.8° | 179.9° |
| C9 | C23 | N27 | H23 | 120.0° | 120.0° |
| C9 | C23 | N27 | H23A | 117.9° | 119.9° |
| C9 | C23 | N27 | S36 | 161.7° | 165.0° |
| C23 | C9 | C3 | H3 | 0.2° | 0.1° |
| C9 | C23 | H23 | H23A | 118.1° | 120.0° |
| C9 | C23 | N27 | HN27 | 78.3° | 15.0° |
| C3 | C1 | C2 | H2 | 179.6° | 179.8° |
| C23 | N27 | S36 | HN27 | 120.0° | 180.0° |
| C23 | N27 | S36 | O31 | 23.7° | 51.1° |
| C23 | N27 | S36 | O32 | 159.2° | 178.9° |
| N27 | C23 | H23 | H23A | 118.1° | 120.0° |
| N27 | S36 | O31 | O32 | 130.0° | 116.7° |
| N27 | S36 | C21 | H21 | 33.2° | 60.0° |
| N27 | S36 | C21 | H21A | 86.7° | 180.0° |
| N27 | S36 | C21 | H21B | 153.3° | 60.1° |
| S36 | N27 | C23 | H23 | 41.7° | 45.0° |
| S36 | N27 | C23 | H23A | 80.4° | 75.0° |
| O31 | S36 | C21 | H21 | 80.5° | 171.6° |
| O31 | S36 | C21 | H21A | 159.6° | 68.4° |
| O31 | S36 | C21 | H21B | 39.6° | 51.6° |
| O31 | S36 | N27 | HN27 | 143.7° | 129.0° |
| O32 | S36 | C21 | H21 | 148.8° | 51.6° |
| O32 | S36 | C21 | H21A | 28.8° | 68.4° |
| O32 | S36 | C21 | H21B | 91.2° | 171.7° |
| O32 | S36 | N27 | HN27 | 80.8° | 1.2° |
| H4 | C4 | C5 | H5 | 0.4° | 0.4° |
| H20 | C20 | H20A | H20B | 120.0° | 120.0° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| H19 | C19 | H19A | H19B | 120.0° | 120.0° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
| H2 | C2 | C1 | H1 | 0.4° | 0.0° |
| H3 | C3 | C1 | H1 | 0.3° | 0.1° |
| H23 | C23 | N27 | HN27 | 161.7° | 135.1° |
| H23A | C23 | N27 | HN27 | 39.6° | 104.9° |
