WAC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.42Å | 1.43Å | Aromatic |
| C3 | N7 | sing | 1.37Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C9 | sing | 1.45Å | 1.46Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N7 | C8 | sing | 1.34Å | 1.38Å | Aromatic |
| N7 | C29 | sing | 1.47Å | 1.48Å | |
| C8 | C9 | doub | 1.39Å | 1.42Å | Aromatic |
| C8 | C10 | sing | 1.51Å | 1.55Å | |
| C9 | C13 | sing | 1.42Å | 1.42Å | |
| C10 | N11 | sing | 1.47Å | 1.52Å | |
| C10 | C16 | sing | 1.53Å | 1.58Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| N11 | C12 | sing | 1.47Å | 1.46Å | |
| N11 | C19 | sing | 1.47Å | 1.49Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | O46 | doub | 1.21Å | 1.20Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | C33 | sing | 1.53Å | 1.51Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C33 | N36 | sing | 1.46Å | 1.45Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| N36 | S39 | sing | 1.66Å | 1.73Å | |
| N36 | H36 | sing | 0.97Å | 1.00Å | |
| S39 | C40 | sing | 1.81Å | 1.79Å | |
| S39 | O44 | doub | 1.42Å | 1.45Å | |
| S39 | O45 | doub | 1.42Å | 1.45Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | C42 | sing | 1.53Å | 1.55Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H423 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.6° | 122.1° |
| C2 | C1 | H1 | 120.2° | 119.0° |
| C1 | C2 | C3 | 121.1° | 117.2° |
| C1 | C2 | H2 | 119.4° | 121.4° |
| C6 | C1 | H1 | 120.2° | 118.9° |
| C1 | C6 | C5 | 119.2° | 121.9° |
| C1 | C6 | H6 | 120.4° | 119.1° |
| C3 | C2 | H2 | 119.4° | 121.4° |
| C2 | C3 | C4 | 119.1° | 120.6° |
| C2 | C3 | N7 | 132.4° | 131.5° |
| C4 | C3 | N7 | 108.4° | 107.9° |
| C3 | C4 | C5 | 119.6° | 121.3° |
| C3 | C4 | C9 | 106.4° | 105.6° |
| C3 | N7 | C8 | 108.8° | 110.5° |
| C3 | N7 | C29 | 120.6° | 124.7° |
| C5 | C4 | C9 | 133.9° | 133.1° |
| C4 | C5 | C6 | 121.3° | 116.9° |
| C4 | C5 | H5 | 119.4° | 121.5° |
| C4 | C9 | C8 | 106.5° | 106.6° |
| C4 | C9 | C13 | 128.2° | 132.1° |
| C6 | C5 | H5 | 119.4° | 121.6° |
| C5 | C6 | H6 | 120.4° | 119.0° |
| C8 | N7 | C29 | 130.6° | 124.8° |
| N7 | C8 | C9 | 109.8° | 109.4° |
| N7 | C8 | C10 | 130.0° | 129.0° |
| N7 | C29 | C30 | 111.6° | 109.5° |
| N7 | C29 | H291 | 108.8° | 109.5° |
| N7 | C29 | H292 | 108.3° | 109.5° |
| C9 | C8 | C10 | 120.2° | 121.6° |
| C8 | C9 | C13 | 125.3° | 121.3° |
| C8 | C10 | N11 | 108.6° | 108.4° |
| C8 | C10 | C16 | 110.7° | 108.8° |
| C8 | C10 | H10 | 108.0° | 109.8° |
| C9 | C13 | C12 | 115.9° | 116.9° |
| C9 | C13 | O46 | 123.3° | 121.5° |
| N11 | C10 | C16 | 105.4° | 109.5° |
| N11 | C10 | H10 | 113.0° | 109.7° |
| C10 | N11 | C12 | 117.8° | 112.8° |
| C10 | N11 | C19 | 109.9° | 111.1° |
| C16 | C10 | H10 | 111.0° | 110.6° |
| C10 | C16 | C17 | 112.1° | 109.5° |
| C10 | C16 | H161 | 108.6° | 109.5° |
| C10 | C16 | H162 | 108.0° | 109.4° |
| C12 | N11 | C19 | 112.3° | 110.5° |
| N11 | C12 | C13 | 113.2° | 110.4° |
| N11 | C12 | H121 | 108.3° | 109.2° |
| N11 | C12 | H122 | 107.4° | 109.3° |
| N11 | C19 | C18 | 110.6° | 109.7° |
| N11 | C19 | H191 | 109.1° | 109.4° |
| N11 | C19 | H192 | 108.8° | 109.4° |
| C13 | C12 | H121 | 108.2° | 109.3° |
| C13 | C12 | H122 | 107.4° | 109.3° |
| C12 | C13 | O46 | 120.9° | 121.5° |
| H121 | C12 | H122 | 112.4° | 109.2° |
| C17 | C16 | H161 | 108.6° | 109.5° |
| C17 | C16 | H162 | 108.1° | 109.4° |
| C16 | C17 | C18 | 109.9° | 109.0° |
| C16 | C17 | H171 | 109.3° | 109.6° |
| C16 | C17 | H172 | 109.2° | 109.6° |
| H161 | C16 | H162 | 111.5° | 109.4° |
| C18 | C17 | H171 | 109.3° | 109.5° |
| C18 | C17 | H172 | 109.2° | 109.5° |
| C17 | C18 | C19 | 110.5° | 109.1° |
| C17 | C18 | H181 | 109.2° | 109.5° |
| C17 | C18 | H182 | 108.9° | 109.5° |
| H171 | C17 | H172 | 109.9° | 109.6° |
| C19 | C18 | H181 | 109.1° | 109.6° |
| C19 | C18 | H182 | 108.9° | 109.5° |
| C18 | C19 | H191 | 109.1° | 109.5° |
| C18 | C19 | H192 | 108.8° | 109.4° |
| H181 | C18 | H182 | 110.2° | 109.6° |
| H191 | C19 | H192 | 110.4° | 109.4° |
| C30 | C29 | H291 | 108.8° | 109.4° |
| C30 | C29 | H292 | 108.3° | 109.5° |
| C29 | C30 | C33 | 110.8° | 109.5° |
| C29 | C30 | H301 | 109.0° | 109.5° |
| C29 | C30 | H302 | 108.7° | 109.5° |
| H291 | C29 | H292 | 111.1° | 109.5° |
| C33 | C30 | H301 | 109.0° | 109.5° |
| C33 | C30 | H302 | 108.7° | 109.5° |
| C30 | C33 | N36 | 110.7° | 109.5° |
| C30 | C33 | H331 | 109.1° | 109.5° |
| C30 | C33 | H332 | 108.8° | 109.5° |
| H301 | C30 | H302 | 110.5° | 109.5° |
| N36 | C33 | H331 | 109.0° | 109.4° |
| N36 | C33 | H332 | 108.8° | 109.4° |
| C33 | N36 | S39 | 118.1° | 120.0° |
| C33 | N36 | H36 | 106.7° | 120.0° |
| H331 | C33 | H332 | 110.4° | 109.5° |
| S39 | N36 | H36 | 106.7° | 120.0° |
| N36 | S39 | C40 | 106.7° | 104.5° |
| N36 | S39 | O44 | 105.5° | 104.3° |
| N36 | S39 | O45 | 104.7° | 104.3° |
| C40 | S39 | O44 | 110.0° | 110.5° |
| C40 | S39 | O45 | 110.3° | 110.6° |
| S39 | C40 | C41 | 108.5° | 109.5° |
| S39 | C40 | C42 | 109.2° | 109.5° |
| S39 | C40 | H40 | 110.9° | 109.5° |
| O44 | S39 | O45 | 118.8° | 121.0° |
| C41 | C40 | C42 | 111.3° | 109.5° |
| C41 | C40 | H40 | 108.8° | 109.4° |
| C40 | C41 | H411 | 109.5° | 109.4° |
| C40 | C41 | H412 | 109.5° | 109.5° |
| C40 | C41 | H413 | 109.5° | 109.5° |
| C42 | C40 | H40 | 108.1° | 109.4° |
| C40 | C42 | H421 | 109.5° | 109.5° |
| C40 | C42 | H422 | 109.5° | 109.5° |
| C40 | C42 | H423 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H411 | C41 | H413 | 109.4° | 109.5° |
| H412 | C41 | H413 | 109.5° | 109.5° |
| H421 | C42 | H422 | 109.5° | 109.5° |
| H421 | C42 | H423 | 109.4° | 109.5° |
| H422 | C42 | H423 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.1° |
| C1 | C2 | C3 | N7 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C2 | C1 | C6 | H6 | 179.8° | 179.9° |
| C6 | C1 | C2 | C3 | 0.4° | 0.1° |
| C6 | C1 | C2 | H2 | 179.6° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| H1 | C1 | C2 | C3 | 179.7° | 179.8° |
| H1 | C1 | C2 | H2 | 0.4° | 0.3° |
| H1 | C1 | C6 | C5 | 179.8° | 179.7° |
| H1 | C1 | C6 | H6 | 0.2° | 0.3° |
| C2 | C3 | C4 | N7 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C2 | C3 | C4 | C9 | 179.6° | 179.9° |
| C2 | C3 | N7 | C8 | 179.9° | 179.7° |
| C2 | C3 | N7 | C29 | 0.4° | 0.2° |
| H2 | C2 | C3 | C4 | 179.7° | 180.0° |
| H2 | C2 | C3 | N7 | 0.1° | 0.1° |
| C3 | C4 | C5 | C9 | 179.5° | 179.8° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C4 | C3 | N7 | C8 | 0.1° | 0.4° |
| C4 | C3 | N7 | C29 | 179.5° | 179.7° |
| C3 | C4 | C9 | C8 | 0.8° | 0.1° |
| C3 | C4 | C9 | C13 | 179.9° | 179.9° |
| N7 | C3 | C4 | C5 | 179.9° | 180.0° |
| N7 | C3 | C4 | C9 | 0.5° | 0.1° |
| C3 | N7 | C8 | C29 | 179.5° | 179.9° |
| C3 | N7 | C8 | C9 | 0.5° | 0.5° |
| C3 | N7 | C8 | C10 | 179.5° | 179.1° |
| C3 | N7 | C29 | C30 | 101.0° | 88.1° |
| C3 | N7 | C29 | H291 | 139.0° | 31.8° |
| C3 | N7 | C29 | H292 | 18.1° | 151.9° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C4 | C9 | C8 | 179.7° | 179.7° |
| C5 | C4 | C9 | C13 | 0.4° | 0.2° |
| C9 | C4 | C5 | C6 | 179.3° | 179.8° |
| C9 | C4 | C5 | H5 | 0.7° | 0.1° |
| C4 | C9 | C8 | N7 | 0.8° | 0.4° |
| C4 | C9 | C8 | C13 | 179.3° | 180.0° |
| C4 | C9 | C8 | C10 | 179.2° | 179.2° |
| C4 | C9 | C13 | C12 | 179.6° | 177.2° |
| C4 | C9 | C13 | O46 | 0.4° | 2.8° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| N7 | C8 | C9 | C10 | 180.0° | 179.6° |
| N7 | C8 | C9 | C13 | 179.9° | 179.7° |
| N7 | C8 | C10 | N11 | 159.0° | 154.7° |
| N7 | C8 | C10 | C16 | 43.6° | 35.7° |
| N7 | C8 | C10 | H10 | 78.1° | 85.5° |
| C8 | N7 | C29 | C30 | 79.6° | 91.8° |
| C8 | N7 | C29 | H291 | 40.4° | 148.2° |
| C8 | N7 | C29 | H292 | 161.3° | 28.2° |
| C29 | N7 | C8 | C9 | 180.0° | 179.6° |
| C29 | N7 | C8 | C10 | 0.0° | 0.8° |
| N7 | C29 | C30 | H291 | 120.0° | 120.0° |
| N7 | C29 | C30 | H292 | 119.1° | 120.0° |
| N7 | C29 | H291 | H292 | 119.1° | 120.1° |
| N7 | C29 | C30 | C33 | 113.8° | 180.0° |
| N7 | C29 | C30 | H301 | 6.3° | 60.0° |
| N7 | C29 | C30 | H302 | 126.8° | 60.0° |
| C9 | C8 | C10 | N11 | 21.0° | 24.9° |
| C9 | C8 | C10 | C16 | 136.3° | 143.9° |
| C9 | C8 | C10 | H10 | 101.9° | 95.0° |
| C8 | C9 | C13 | C12 | 1.3° | 2.9° |
| C8 | C9 | C13 | O46 | 179.6° | 177.1° |
| C10 | C8 | C9 | C13 | 0.1° | 0.7° |
| C8 | C10 | N11 | C16 | 118.7° | 118.6° |
| C8 | C10 | N11 | H10 | 119.8° | 119.8° |
| C8 | C10 | C16 | H10 | 120.0° | 120.6° |
| C8 | C10 | N11 | C12 | 47.2° | 55.6° |
| C8 | C10 | N11 | C19 | 177.5° | 179.8° |
| C8 | C10 | C16 | C17 | 178.0° | 177.3° |
| C8 | C10 | C16 | H161 | 58.0° | 57.2° |
| C8 | C10 | C16 | H162 | 63.1° | 62.7° |
| C9 | C13 | C12 | N11 | 25.4° | 32.2° |
| C9 | C13 | C12 | O46 | 179.2° | 180.0° |
| C9 | C13 | C12 | H121 | 145.4° | 152.4° |
| C9 | C13 | C12 | H122 | 93.0° | 88.1° |
| N11 | C10 | C16 | H10 | 122.8° | 121.1° |
| C10 | N11 | C12 | C19 | 129.3° | 125.0° |
| C10 | N11 | C12 | C13 | 50.6° | 60.5° |
| C10 | N11 | C12 | H121 | 170.6° | 179.3° |
| C10 | N11 | C12 | H122 | 67.8° | 59.8° |
| N11 | C10 | C16 | C17 | 60.7° | 59.0° |
| N11 | C10 | C16 | H161 | 59.3° | 61.1° |
| N11 | C10 | C16 | H162 | 179.6° | 179.0° |
| C10 | N11 | C19 | C18 | 64.4° | 61.7° |
| C10 | N11 | C19 | H191 | 55.6° | 58.4° |
| C10 | N11 | C19 | H192 | 176.1° | 178.3° |
| C16 | C10 | N11 | C12 | 165.8° | 174.1° |
| C16 | C10 | N11 | C19 | 63.8° | 61.2° |
| C10 | C16 | C17 | H161 | 120.0° | 120.1° |
| C10 | C16 | C17 | H162 | 118.9° | 119.9° |
| C10 | C16 | H161 | H162 | 118.9° | 119.9° |
| C10 | C16 | C17 | C18 | 56.0° | 57.9° |
| C10 | C16 | C17 | H171 | 176.0° | 177.7° |
| C10 | C16 | C17 | H172 | 63.7° | 62.0° |
| H10 | C10 | N11 | C12 | 72.7° | 64.3° |
| H10 | C10 | N11 | C19 | 57.7° | 60.4° |
| H10 | C10 | C16 | C17 | 62.1° | 62.0° |
| H10 | C10 | C16 | H161 | 177.9° | 177.9° |
| H10 | C10 | C16 | H162 | 56.8° | 57.9° |
| N11 | C12 | C13 | H121 | 120.0° | 120.2° |
| N11 | C12 | C13 | H122 | 118.4° | 120.3° |
| N11 | C12 | H121 | H122 | 118.5° | 119.5° |
| N11 | C12 | C13 | O46 | 155.5° | 147.8° |
| C12 | N11 | C19 | C18 | 162.4° | 172.4° |
| C12 | N11 | C19 | H191 | 77.6° | 67.5° |
| C12 | N11 | C19 | H192 | 42.8° | 52.4° |
| C19 | N11 | C12 | C13 | 179.9° | 174.5° |
| C19 | N11 | C12 | H121 | 60.1° | 54.3° |
| C19 | N11 | C12 | H122 | 61.5° | 65.2° |
| N11 | C19 | C18 | C17 | 57.1° | 59.6° |
| N11 | C19 | C18 | H191 | 120.0° | 120.1° |
| N11 | C19 | C18 | H192 | 119.5° | 120.0° |
| N11 | C19 | C18 | H181 | 62.9° | 60.3° |
| N11 | C19 | C18 | H182 | 176.7° | 179.4° |
| N11 | C19 | H191 | H192 | 119.5° | 119.8° |
| C13 | C12 | H121 | H122 | 118.5° | 119.6° |
| H121 | C12 | C13 | O46 | 35.4° | 27.6° |
| H122 | C12 | C13 | O46 | 86.2° | 91.9° |
| C17 | C16 | H161 | H162 | 119.0° | 120.0° |
| C16 | C17 | C18 | H171 | 120.0° | 119.8° |
| C16 | C17 | C18 | H172 | 119.8° | 119.9° |
| C16 | C17 | H171 | H172 | 119.8° | 120.3° |
| C16 | C17 | C18 | C19 | 52.5° | 58.0° |
| C16 | C17 | C18 | H181 | 67.5° | 61.9° |
| C16 | C17 | C18 | H182 | 172.1° | 177.8° |
| H161 | C16 | C17 | C18 | 64.0° | 62.2° |
| H161 | C16 | C17 | H171 | 56.0° | 57.6° |
| H161 | C16 | C17 | H172 | 176.2° | 177.9° |
| H162 | C16 | C17 | C18 | 174.9° | 177.9° |
| H162 | C16 | C17 | H171 | 65.1° | 62.4° |
| H162 | C16 | C17 | H172 | 55.1° | 58.0° |
| C18 | C17 | H171 | H172 | 119.8° | 120.2° |
| C17 | C18 | C19 | H181 | 120.0° | 119.9° |
| C17 | C18 | C19 | H182 | 119.6° | 119.8° |
| C17 | C18 | H181 | H182 | 119.6° | 120.1° |
| C17 | C18 | C19 | H191 | 62.9° | 60.5° |
| C17 | C18 | C19 | H192 | 176.6° | 179.6° |
| H171 | C17 | C18 | C19 | 172.5° | 177.8° |
| H171 | C17 | C18 | H181 | 52.5° | 57.9° |
| H171 | C17 | C18 | H182 | 67.9° | 62.3° |
| H172 | C17 | C18 | C19 | 67.3° | 61.9° |
| H172 | C17 | C18 | H181 | 172.7° | 178.1° |
| H172 | C17 | C18 | H182 | 52.3° | 57.9° |
| C19 | C18 | H181 | H182 | 119.6° | 120.2° |
| C18 | C19 | H191 | H192 | 119.5° | 119.9° |
| H181 | C18 | C19 | H191 | 177.1° | 179.6° |
| H181 | C18 | C19 | H192 | 56.6° | 59.7° |
| H182 | C18 | C19 | H191 | 56.7° | 59.3° |
| H182 | C18 | C19 | H192 | 63.8° | 60.6° |
| C30 | C29 | H291 | H292 | 119.2° | 119.9° |
| C29 | C30 | C33 | H301 | 120.0° | 120.0° |
| C29 | C30 | C33 | H302 | 119.4° | 120.0° |
| C29 | C30 | H301 | H302 | 119.4° | 120.0° |
| C29 | C30 | C33 | N36 | 71.2° | 180.0° |
| C29 | C30 | C33 | H331 | 48.8° | 60.0° |
| C29 | C30 | C33 | H332 | 169.3° | 60.0° |
| H291 | C29 | C30 | C33 | 126.3° | 60.0° |
| H291 | C29 | C30 | H301 | 113.7° | 180.0° |
| H291 | C29 | C30 | H302 | 6.8° | 60.0° |
| H292 | C29 | C30 | C33 | 5.3° | 60.0° |
| H292 | C29 | C30 | H301 | 125.4° | 60.0° |
| H292 | C29 | C30 | H302 | 114.1° | 180.0° |
| C33 | C30 | H301 | H302 | 119.5° | 120.0° |
| C30 | C33 | N36 | H331 | 120.0° | 120.0° |
| C30 | C33 | N36 | H332 | 119.5° | 120.0° |
| C30 | C33 | H331 | H332 | 119.5° | 120.1° |
| C30 | C33 | N36 | S39 | 161.5° | 165.0° |
| C30 | C33 | N36 | H36 | 41.5° | 15.1° |
| H301 | C30 | C33 | N36 | 168.8° | 60.0° |
| H301 | C30 | C33 | H331 | 71.2° | 180.0° |
| H301 | C30 | C33 | H332 | 49.3° | 60.0° |
| H302 | C30 | C33 | N36 | 48.3° | 60.0° |
| H302 | C30 | C33 | H331 | 168.2° | 60.0° |
| H302 | C30 | C33 | H332 | 71.2° | 180.0° |
| N36 | C33 | H331 | H332 | 119.5° | 119.9° |
| C33 | N36 | S39 | H36 | 120.0° | 179.9° |
| C33 | N36 | S39 | C40 | 116.5° | 65.0° |
| C33 | N36 | S39 | O44 | 0.4° | 179.0° |
| C33 | N36 | S39 | O45 | 126.6° | 51.1° |
| H331 | C33 | N36 | S39 | 78.5° | 45.0° |
| H331 | C33 | N36 | H36 | 161.5° | 135.1° |
| H332 | C33 | N36 | S39 | 42.1° | 75.0° |
| H332 | C33 | N36 | H36 | 77.9° | 105.0° |
| N36 | S39 | C40 | O44 | 113.9° | 111.6° |
| N36 | S39 | C40 | O45 | 113.2° | 111.7° |
| N36 | S39 | O44 | O45 | 117.0° | 116.8° |
| N36 | S39 | C40 | C41 | 162.6° | 60.0° |
| N36 | S39 | C40 | C42 | 41.1° | 180.0° |
| N36 | S39 | C40 | H40 | 77.9° | 60.0° |
| H36 | N36 | S39 | C40 | 3.5° | 114.9° |
| H36 | N36 | S39 | O44 | 120.4° | 1.1° |
| H36 | N36 | S39 | O45 | 113.4° | 129.0° |
| C40 | S39 | O44 | O45 | 128.4° | 131.5° |
| S39 | C40 | C41 | C42 | 120.2° | 120.1° |
| S39 | C40 | C41 | H40 | 120.8° | 120.0° |
| S39 | C40 | C42 | H40 | 120.8° | 120.0° |
| S39 | C40 | C41 | H411 | 136.0° | 60.1° |
| S39 | C40 | C41 | H412 | 15.9° | 179.9° |
| S39 | C40 | C41 | H413 | 104.1° | 60.0° |
| S39 | C40 | C42 | H421 | 16.7° | 59.9° |
| S39 | C40 | C42 | H422 | 103.3° | 180.0° |
| S39 | C40 | C42 | H423 | 136.7° | 60.1° |
| O44 | S39 | C40 | C41 | 83.5° | 51.6° |
| O44 | S39 | C40 | C42 | 155.0° | 68.4° |
| O44 | S39 | C40 | H40 | 36.0° | 171.6° |
| O45 | S39 | C40 | C41 | 49.4° | 171.7° |
| O45 | S39 | C40 | C42 | 72.1° | 68.3° |
| O45 | S39 | C40 | H40 | 168.9° | 51.7° |
| C41 | C40 | C42 | H40 | 119.4° | 120.0° |
| C40 | C41 | H411 | H412 | 120.0° | 120.0° |
| C40 | C41 | H411 | H413 | 120.0° | 120.0° |
| C40 | C41 | H412 | H413 | 120.0° | 120.0° |
| C41 | C40 | C42 | H421 | 136.6° | 180.0° |
| C41 | C40 | C42 | H422 | 16.5° | 60.0° |
| C41 | C40 | C42 | H423 | 103.5° | 60.0° |
| C42 | C40 | C41 | H411 | 15.7° | 60.0° |
| C42 | C40 | C41 | H412 | 104.3° | 60.0° |
| C42 | C40 | C41 | H413 | 135.7° | 180.0° |
| C40 | C42 | H421 | H422 | 120.0° | 120.0° |
| C40 | C42 | H421 | H423 | 120.0° | 120.0° |
| C40 | C42 | H422 | H423 | 120.0° | 120.0° |
| H40 | C40 | C41 | H411 | 103.2° | 180.0° |
| H40 | C40 | C41 | H412 | 136.7° | 60.0° |
| H40 | C40 | C41 | H413 | 16.7° | 60.0° |
| H40 | C40 | C42 | H421 | 104.0° | 60.0° |
| H40 | C40 | C42 | H422 | 136.0° | 60.0° |
| H40 | C40 | C42 | H423 | 16.0° | 179.9° |
| H411 | C41 | H412 | H413 | 120.0° | 120.1° |
| H421 | C42 | H422 | H423 | 120.0° | 120.0° |
