POS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | O7 | sing | 1.36Å | 1.51Å | |
| C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.35Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.35Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.34Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| O7 | C8 | sing | 1.36Å | 1.37Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.43Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.48Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | S14 | sing | 1.76Å | 1.76Å | |
| C12 | C13 | doub | 1.38Å | 1.51Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| S14 | O15 | doub | 1.42Å | 1.49Å | |
| S14 | O16 | doub | 1.42Å | 1.49Å | |
| S14 | N17 | sing | 1.66Å | 1.71Å | |
| N17 | C18 | sing | 1.46Å | 1.49Å | |
| N17 | HN7 | sing | 0.97Å | 1.02Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C19 | O20 | sing | 1.43Å | 1.39Å | |
| C19 | C21 | sing | 1.53Å | 1.60Å | |
| C19 | H19 | sing | 1.09Å | 1.11Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| C21 | N22 | sing | 1.46Å | 1.47Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| N22 | C23 | sing | 1.35Å | 1.33Å | |
| N22 | HN2 | sing | 0.97Å | 1.02Å | |
| C23 | O24 | doub | 1.21Å | 1.27Å | |
| C23 | C25 | sing | 1.51Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | N30 | sing | 1.46Å | 1.46Å | |
| C25 | H25 | sing | 1.09Å | 1.12Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | C28 | sing | 1.53Å | 1.49Å | |
| C27 | C29 | sing | 1.53Å | 1.51Å | |
| C27 | H27 | sing | 1.09Å | 1.11Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C28 | H283 | sing | 1.09Å | 1.12Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C29 | H293 | sing | 1.09Å | 1.12Å | |
| N30 | C31 | sing | 1.35Å | 1.33Å | |
| N30 | HN3 | sing | 0.97Å | 1.02Å | |
| C31 | O32 | doub | 1.21Å | 1.23Å | |
| C31 | C33 | sing | 1.48Å | 1.52Å | |
| C33 | C34 | doub | 1.40Å | 1.39Å | Aromatic |
| C33 | C37 | sing | 1.40Å | 1.37Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | N36 | doub | 1.32Å | 1.37Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| N36 | C38 | sing | 1.32Å | 1.37Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | H38 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 117.2° | 119.9° |
| C2 | C1 | O7 | 123.3° | 120.0° |
| C1 | C2 | C3 | 120.1° | 120.0° |
| C1 | C2 | H2 | 120.5° | 120.0° |
| C6 | C1 | O7 | 119.5° | 120.1° |
| C1 | C6 | C5 | 121.4° | 119.9° |
| C1 | C6 | H6 | 121.4° | 120.0° |
| C1 | O7 | C8 | 119.7° | 106.9° |
| C3 | C2 | H2 | 119.3° | 120.1° |
| C2 | C3 | C4 | 120.4° | 120.0° |
| C2 | C3 | H3 | 120.7° | 120.0° |
| C4 | C3 | H3 | 118.9° | 120.0° |
| C3 | C4 | C5 | 120.4° | 120.1° |
| C3 | C4 | H4 | 119.7° | 119.9° |
| C5 | C4 | H4 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.5° | 120.1° |
| C4 | C5 | H5 | 120.1° | 119.9° |
| C6 | C5 | H5 | 119.4° | 120.0° |
| C5 | C6 | H6 | 117.3° | 120.0° |
| O7 | C8 | C9 | 115.0° | 120.1° |
| O7 | C8 | C13 | 127.2° | 120.1° |
| C9 | C8 | C13 | 117.8° | 119.8° |
| C8 | C9 | C10 | 123.6° | 120.0° |
| C8 | C9 | H9 | 114.8° | 120.0° |
| C8 | C13 | C12 | 118.9° | 120.0° |
| C8 | C13 | H13 | 117.8° | 120.0° |
| C10 | C9 | H9 | 121.6° | 120.0° |
| C9 | C10 | C11 | 119.7° | 120.1° |
| C9 | C10 | H10 | 122.1° | 120.0° |
| C11 | C10 | H10 | 118.2° | 119.9° |
| C10 | C11 | C12 | 117.7° | 120.1° |
| C10 | C11 | S14 | 120.1° | 120.0° |
| C12 | C11 | S14 | 122.2° | 119.9° |
| C11 | C12 | C13 | 122.2° | 120.0° |
| C11 | C12 | H12 | 115.2° | 120.0° |
| C11 | S14 | O15 | 110.8° | 105.8° |
| C11 | S14 | O16 | 107.8° | 105.8° |
| C11 | S14 | N17 | 109.4° | 107.4° |
| C13 | C12 | H12 | 122.6° | 119.9° |
| C12 | C13 | H13 | 123.3° | 120.1° |
| O15 | S14 | O16 | 113.9° | 125.3° |
| O15 | S14 | N17 | 109.4° | 105.8° |
| O16 | S14 | N17 | 105.3° | 105.7° |
| S14 | N17 | C18 | 123.9° | 120.0° |
| S14 | N17 | HN7 | 107.0° | 119.9° |
| C18 | N17 | HN7 | 107.1° | 120.0° |
| N17 | C18 | C19 | 129.3° | 109.5° |
| N17 | C18 | H181 | 105.2° | 109.5° |
| N17 | C18 | H182 | 105.3° | 109.5° |
| C19 | C18 | H181 | 105.3° | 109.4° |
| C19 | C18 | H182 | 105.3° | 109.5° |
| C18 | C19 | O20 | 89.5° | 109.5° |
| C18 | C19 | C21 | 111.1° | 109.5° |
| C18 | C19 | H19 | 120.4° | 109.4° |
| H181 | C18 | H182 | 104.0° | 109.4° |
| O20 | C19 | C21 | 109.3° | 109.5° |
| O20 | C19 | H19 | 122.0° | 109.5° |
| C19 | O20 | H20 | 89.5° | 106.8° |
| C21 | C19 | H19 | 104.0° | 109.5° |
| C19 | C21 | N22 | 99.9° | 109.5° |
| C19 | C21 | H211 | 115.9° | 109.5° |
| C19 | C21 | H212 | 115.8° | 109.6° |
| N22 | C21 | H211 | 115.9° | 109.5° |
| N22 | C21 | H212 | 115.9° | 109.4° |
| C21 | N22 | C23 | 124.4° | 120.1° |
| C21 | N22 | HN2 | 123.3° | 120.0° |
| H211 | C21 | H212 | 94.6° | 109.4° |
| C23 | N22 | HN2 | 112.3° | 119.9° |
| N22 | C23 | O24 | 123.2° | 119.9° |
| N22 | C23 | C25 | 113.9° | 120.1° |
| O24 | C23 | C25 | 122.8° | 120.0° |
| C23 | C25 | C26 | 108.9° | 109.5° |
| C23 | C25 | N30 | 112.7° | 109.5° |
| C23 | C25 | H25 | 108.3° | 109.4° |
| C26 | C25 | N30 | 111.2° | 109.5° |
| C26 | C25 | H25 | 109.8° | 109.4° |
| C25 | C26 | C27 | 127.9° | 109.5° |
| C25 | C26 | H261 | 105.8° | 109.4° |
| C25 | C26 | H262 | 105.7° | 109.4° |
| N30 | C25 | H25 | 105.9° | 109.5° |
| C25 | N30 | C31 | 117.4° | 120.0° |
| C25 | N30 | HN3 | 125.6° | 120.0° |
| C27 | C26 | H261 | 105.8° | 109.5° |
| C27 | C26 | H262 | 105.8° | 109.5° |
| C26 | C27 | C28 | 111.4° | 109.5° |
| C26 | C27 | C29 | 116.3° | 109.5° |
| C26 | C27 | H27 | 104.7° | 109.5° |
| H261 | C26 | H262 | 103.5° | 109.5° |
| C28 | C27 | C29 | 113.9° | 109.5° |
| C28 | C27 | H27 | 107.7° | 109.5° |
| C27 | C28 | H281 | 111.4° | 109.5° |
| C27 | C28 | H282 | 111.5° | 109.5° |
| C27 | C28 | H283 | 111.5° | 109.5° |
| C29 | C27 | H27 | 101.6° | 109.5° |
| C27 | C29 | H291 | 116.3° | 109.5° |
| C27 | C29 | H292 | 109.7° | 109.5° |
| C27 | C29 | H293 | 109.7° | 109.5° |
| H281 | C28 | H282 | 111.5° | 109.4° |
| H281 | C28 | H283 | 111.5° | 109.5° |
| H282 | C28 | H283 | 98.8° | 109.5° |
| H291 | C29 | H292 | 109.8° | 109.5° |
| H291 | C29 | H293 | 109.8° | 109.5° |
| H292 | C29 | H293 | 100.5° | 109.4° |
| C31 | N30 | HN3 | 116.9° | 120.0° |
| N30 | C31 | O32 | 121.0° | 120.0° |
| N30 | C31 | C33 | 133.5° | 120.1° |
| O32 | C31 | C33 | 105.5° | 120.0° |
| C31 | C33 | C34 | 111.9° | 121.0° |
| C31 | C33 | C37 | 129.5° | 120.9° |
| C34 | C33 | C37 | 118.6° | 118.1° |
| C33 | C34 | C35 | 122.8° | 119.1° |
| C33 | C34 | H34 | 118.8° | 120.5° |
| C33 | C37 | C38 | 120.1° | 119.0° |
| C33 | C37 | H37 | 118.9° | 120.5° |
| C35 | C34 | H34 | 118.4° | 120.5° |
| C34 | C35 | N36 | 116.4° | 120.9° |
| C34 | C35 | H35 | 122.1° | 119.7° |
| N36 | C35 | H35 | 121.5° | 119.5° |
| C35 | N36 | C38 | 122.9° | 122.0° |
| N36 | C38 | C37 | 119.2° | 120.9° |
| N36 | C38 | H38 | 119.5° | 119.5° |
| C38 | C37 | H37 | 121.0° | 120.5° |
| C37 | C38 | H38 | 121.3° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O7 | 177.7° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C1 | C2 | C3 | H3 | 179.7° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.5° |
| C2 | C1 | C6 | H6 | 179.8° | 180.0° |
| C2 | C1 | O7 | C8 | 68.0° | 4.7° |
| C6 | C1 | C2 | C3 | 0.5° | 0.2° |
| C6 | C1 | C2 | H2 | 179.6° | 179.8° |
| C1 | C6 | C5 | C4 | 0.3° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 179.5° |
| C1 | C6 | C5 | H5 | 179.7° | 179.7° |
| C6 | C1 | O7 | C8 | 109.6° | 175.6° |
| O7 | C1 | C2 | C3 | 177.2° | 180.0° |
| O7 | C1 | C2 | H2 | 2.8° | 0.0° |
| O7 | C1 | C6 | C5 | 177.5° | 179.8° |
| O7 | C1 | C6 | H6 | 2.4° | 0.3° |
| C1 | O7 | C8 | C9 | 86.6° | 96.4° |
| C1 | O7 | C8 | C13 | 93.9° | 83.5° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | H4 | 179.8° | 179.9° |
| H2 | C2 | C3 | C4 | 179.8° | 180.0° |
| H2 | C2 | C3 | H3 | 0.3° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.5° | 0.2° |
| C3 | C4 | C5 | H5 | 179.5° | 179.9° |
| H3 | C3 | C4 | C5 | 179.8° | 180.0° |
| H3 | C3 | C4 | H4 | 0.2° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| H4 | C4 | C5 | C6 | 179.6° | 179.7° |
| H4 | C4 | C5 | H5 | 0.4° | 0.1° |
| H5 | C5 | C6 | H6 | 0.3° | 0.2° |
| O7 | C8 | C9 | C13 | 179.6° | 179.9° |
| O7 | C8 | C9 | C10 | 178.7° | 180.0° |
| O7 | C8 | C9 | H9 | 1.3° | 0.0° |
| O7 | C8 | C13 | C12 | 178.6° | 179.8° |
| O7 | C8 | C13 | H13 | 1.4° | 0.1° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.0° |
| C8 | C9 | C10 | H10 | 179.6° | 180.0° |
| C9 | C8 | C13 | C12 | 0.9° | 0.3° |
| C9 | C8 | C13 | H13 | 179.1° | 180.0° |
| C13 | C8 | C9 | C10 | 0.9° | 0.0° |
| C13 | C8 | C9 | H9 | 179.1° | 180.0° |
| C8 | C13 | C12 | C11 | 0.5° | 0.5° |
| C8 | C13 | C12 | H13 | 180.0° | 179.7° |
| C8 | C13 | C12 | H12 | 179.6° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.3° |
| C9 | C10 | C11 | S14 | 179.9° | 180.0° |
| H9 | C9 | C10 | C11 | 179.5° | 179.9° |
| H9 | C9 | C10 | H10 | 0.5° | 0.0° |
| C10 | C11 | C12 | S14 | 179.9° | 179.7° |
| C10 | C11 | C12 | C13 | 0.0° | 0.5° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C10 | C11 | S14 | O15 | 77.4° | 22.6° |
| C10 | C11 | S14 | O16 | 157.2° | 157.4° |
| C10 | C11 | S14 | N17 | 43.3° | 90.0° |
| H10 | C10 | C11 | C12 | 180.0° | 179.7° |
| H10 | C10 | C11 | S14 | 0.1° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.5° |
| C11 | C12 | C13 | H13 | 179.5° | 179.8° |
| C12 | C11 | S14 | O15 | 102.7° | 157.1° |
| C12 | C11 | S14 | O16 | 22.6° | 22.3° |
| C12 | C11 | S14 | N17 | 136.6° | 90.2° |
| S14 | C11 | C12 | C13 | 179.9° | 179.7° |
| S14 | C11 | C12 | H12 | 0.1° | 0.2° |
| C11 | S14 | O15 | O16 | 121.8° | 123.1° |
| C11 | S14 | O15 | N17 | 120.7° | 113.8° |
| C11 | S14 | O16 | N17 | 116.7° | 113.8° |
| C11 | S14 | N17 | C18 | 35.8° | 60.0° |
| C11 | S14 | N17 | HN7 | 161.0° | 119.9° |
| H12 | C12 | C13 | H13 | 0.5° | 0.3° |
| O15 | S14 | O16 | N17 | 119.9° | 123.1° |
| O15 | S14 | N17 | C18 | 157.3° | 172.6° |
| O15 | S14 | N17 | HN7 | 77.4° | 7.3° |
| O16 | S14 | N17 | C18 | 79.8° | 52.7° |
| O16 | S14 | N17 | HN7 | 45.5° | 127.4° |
| S14 | N17 | C18 | HN7 | 125.2° | 179.9° |
| S14 | N17 | C18 | C19 | 129.4° | 180.0° |
| S14 | N17 | C18 | H181 | 105.3° | 60.0° |
| S14 | N17 | C18 | H182 | 4.2° | 59.9° |
| N17 | C18 | C19 | H181 | 125.2° | 120.0° |
| N17 | C18 | C19 | H182 | 125.2° | 120.1° |
| N17 | C18 | H181 | H182 | 110.4° | 120.0° |
| N17 | C18 | C19 | O20 | 119.6° | 59.9° |
| N17 | C18 | C19 | C21 | 129.8° | 180.0° |
| N17 | C18 | C19 | H19 | 7.9° | 60.0° |
| HN7 | N17 | C18 | C19 | 105.3° | 0.1° |
| HN7 | N17 | C18 | H181 | 20.0° | 120.1° |
| HN7 | N17 | C18 | H182 | 129.4° | 120.0° |
| C19 | C18 | H181 | H182 | 110.5° | 120.0° |
| C18 | C19 | O20 | C21 | 112.3° | 120.1° |
| C18 | C19 | O20 | H19 | 126.3° | 119.9° |
| C18 | C19 | C21 | H19 | 131.0° | 119.9° |
| C18 | C19 | O20 | H20 | 180.0° | 60.0° |
| C18 | C19 | C21 | N22 | 72.2° | 180.0° |
| C18 | C19 | C21 | H211 | 53.1° | 60.0° |
| C18 | C19 | C21 | H212 | 162.6° | 60.0° |
| H181 | C18 | C19 | O20 | 115.1° | 60.1° |
| H181 | C18 | C19 | C21 | 4.6° | 60.0° |
| H181 | C18 | C19 | H19 | 117.3° | 180.0° |
| H182 | C18 | C19 | O20 | 5.6° | 180.0° |
| H182 | C18 | C19 | C21 | 105.0° | 59.9° |
| H182 | C18 | C19 | H19 | 133.1° | 60.0° |
| O20 | C19 | C21 | H19 | 131.8° | 120.1° |
| O20 | C19 | C21 | N22 | 169.4° | 60.0° |
| O20 | C19 | C21 | H211 | 44.1° | 60.0° |
| O20 | C19 | C21 | H212 | 65.3° | 180.0° |
| C21 | C19 | O20 | H20 | 67.8° | 60.0° |
| C19 | C21 | N22 | H211 | 125.2° | 120.0° |
| C19 | C21 | N22 | H212 | 125.2° | 120.1° |
| C19 | C21 | H211 | H212 | 121.7° | 120.1° |
| C19 | C21 | N22 | C23 | 170.2° | 180.0° |
| C19 | C21 | N22 | HN2 | 9.7° | 0.0° |
| H19 | C19 | O20 | H20 | 53.7° | 179.9° |
| H19 | C19 | C21 | N22 | 58.8° | 60.1° |
| H19 | C19 | C21 | H211 | 175.9° | 179.9° |
| H19 | C19 | C21 | H212 | 66.5° | 59.9° |
| N22 | C21 | H211 | H212 | 121.8° | 119.9° |
| C21 | N22 | C23 | HN2 | 180.0° | 180.0° |
| C21 | N22 | C23 | O24 | 0.5° | 0.1° |
| C21 | N22 | C23 | C25 | 179.0° | 180.0° |
| H211 | C21 | N22 | C23 | 64.5° | 60.0° |
| H211 | C21 | N22 | HN2 | 115.5° | 120.0° |
| H212 | C21 | N22 | C23 | 45.0° | 59.9° |
| H212 | C21 | N22 | HN2 | 135.0° | 120.1° |
| N22 | C23 | O24 | C25 | 178.5° | 179.9° |
| N22 | C23 | C25 | C26 | 98.4° | 59.9° |
| N22 | C23 | C25 | N30 | 137.8° | 180.0° |
| N22 | C23 | C25 | H25 | 21.0° | 60.0° |
| HN2 | N22 | C23 | O24 | 179.5° | 179.9° |
| HN2 | N22 | C23 | C25 | 1.0° | 0.0° |
| O24 | C23 | C25 | C26 | 80.2° | 120.0° |
| O24 | C23 | C25 | N30 | 43.6° | 0.1° |
| O24 | C23 | C25 | H25 | 160.4° | 120.1° |
| C23 | C25 | C26 | N30 | 124.7° | 120.1° |
| C23 | C25 | C26 | H25 | 118.4° | 119.9° |
| C23 | C25 | N30 | H25 | 118.2° | 119.9° |
| C23 | C25 | C26 | C27 | 112.0° | 175.4° |
| C23 | C25 | C26 | H261 | 13.3° | 55.4° |
| C23 | C25 | C26 | H262 | 122.7° | 64.6° |
| C23 | C25 | N30 | C31 | 162.6° | 130.2° |
| C23 | C25 | N30 | HN3 | 17.4° | 49.8° |
| C26 | C25 | N30 | H25 | 119.3° | 120.0° |
| C25 | C26 | C27 | H261 | 125.3° | 120.0° |
| C25 | C26 | C27 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H262 | 111.0° | 120.0° |
| C25 | C26 | C27 | C28 | 103.8° | 173.3° |
| C25 | C26 | C27 | C29 | 28.9° | 66.7° |
| C25 | C26 | C27 | H27 | 140.1° | 53.3° |
| C26 | C25 | N30 | C31 | 74.9° | 109.7° |
| C26 | C25 | N30 | HN3 | 105.2° | 70.2° |
| N30 | C25 | C26 | C27 | 12.7° | 64.5° |
| N30 | C25 | C26 | H261 | 138.0° | 175.5° |
| N30 | C25 | C26 | H262 | 112.6° | 55.5° |
| C25 | N30 | C31 | HN3 | 179.9° | 180.0° |
| C25 | N30 | C31 | O32 | 1.1° | 4.5° |
| C25 | N30 | C31 | C33 | 177.7° | 175.5° |
| H25 | C25 | C26 | C27 | 129.6° | 55.5° |
| H25 | C25 | C26 | H261 | 105.1° | 64.5° |
| H25 | C25 | C26 | H262 | 4.3° | 175.5° |
| H25 | C25 | N30 | C31 | 44.4° | 10.2° |
| H25 | C25 | N30 | HN3 | 135.5° | 169.8° |
| C27 | C26 | H261 | H262 | 111.0° | 120.1° |
| C26 | C27 | C28 | C29 | 134.0° | 120.0° |
| C26 | C27 | C28 | H27 | 114.2° | 120.0° |
| C26 | C27 | C29 | H27 | 112.9° | 120.0° |
| C26 | C27 | C28 | H281 | 180.0° | 180.0° |
| C26 | C27 | C28 | H282 | 54.7° | 60.0° |
| C26 | C27 | C28 | H283 | 54.7° | 60.0° |
| C26 | C27 | C29 | H291 | 180.0° | 55.3° |
| C26 | C27 | C29 | H292 | 54.7° | 64.7° |
| C26 | C27 | C29 | H293 | 54.7° | 175.3° |
| H261 | C26 | C27 | C28 | 130.9° | 66.7° |
| H261 | C26 | C27 | C29 | 96.4° | 53.3° |
| H261 | C26 | C27 | H27 | 14.7° | 173.3° |
| H262 | C26 | C27 | C28 | 21.4° | 53.4° |
| H262 | C26 | C27 | C29 | 154.2° | 173.3° |
| H262 | C26 | C27 | H27 | 94.7° | 66.6° |
| C28 | C27 | C29 | H27 | 115.5° | 120.0° |
| C27 | C28 | H281 | H282 | 125.3° | 120.0° |
| C27 | C28 | H281 | H283 | 125.3° | 120.0° |
| C27 | C28 | H282 | H283 | 117.4° | 120.0° |
| C28 | C27 | C29 | H291 | 48.4° | 64.7° |
| C28 | C27 | C29 | H292 | 76.9° | 175.3° |
| C28 | C27 | C29 | H293 | 173.7° | 55.3° |
| C29 | C27 | C28 | H281 | 46.1° | 60.0° |
| C29 | C27 | C28 | H282 | 171.3° | 180.0° |
| C29 | C27 | C28 | H283 | 79.2° | 60.0° |
| C27 | C29 | H291 | H292 | 125.3° | 120.0° |
| C27 | C29 | H291 | H293 | 125.2° | 120.0° |
| C27 | C29 | H292 | H293 | 115.5° | 120.0° |
| H27 | C27 | C28 | H281 | 65.8° | 60.0° |
| H27 | C27 | C28 | H282 | 59.5° | 60.0° |
| H27 | C27 | C28 | H283 | 168.9° | 180.0° |
| H27 | C27 | C29 | H291 | 67.1° | 175.3° |
| H27 | C27 | C29 | H292 | 167.6° | 55.3° |
| H27 | C27 | C29 | H293 | 58.2° | 64.7° |
| H281 | C28 | H282 | H283 | 117.4° | 120.0° |
| H291 | C29 | H292 | H293 | 115.6° | 120.0° |
| N30 | C31 | O32 | C33 | 179.1° | 180.0° |
| N30 | C31 | C33 | C34 | 118.9° | 180.0° |
| N30 | C31 | C33 | C37 | 62.4° | 0.3° |
| HN3 | N30 | C31 | O32 | 178.9° | 175.5° |
| HN3 | N30 | C31 | C33 | 2.4° | 4.5° |
| O32 | C31 | C33 | C34 | 59.9° | 0.0° |
| O32 | C31 | C33 | C37 | 118.7° | 179.7° |
| C31 | C33 | C34 | C37 | 178.8° | 179.7° |
| C31 | C33 | C34 | C35 | 178.6° | 180.0° |
| C31 | C33 | C34 | H34 | 1.3° | 0.0° |
| C31 | C33 | C37 | C38 | 178.3° | 179.8° |
| C31 | C33 | C37 | H37 | 1.7° | 0.3° |
| C33 | C34 | C35 | H34 | 179.9° | 180.0° |
| C33 | C34 | C35 | N36 | 0.0° | 0.0° |
| C33 | C34 | C35 | H35 | 180.0° | 180.0° |
| C34 | C33 | C37 | C38 | 0.3° | 0.6° |
| C34 | C33 | C37 | H37 | 179.8° | 180.0° |
| C37 | C33 | C34 | C35 | 0.2° | 0.3° |
| C37 | C33 | C34 | H34 | 179.9° | 179.7° |
| C33 | C37 | C38 | N36 | 0.2° | 0.6° |
| C33 | C37 | C38 | H37 | 179.9° | 179.4° |
| C33 | C37 | C38 | H38 | 179.8° | 179.7° |
| C34 | C35 | N36 | H35 | 180.0° | 180.0° |
| C34 | C35 | N36 | C38 | 0.2° | 0.0° |
| H34 | C34 | C35 | N36 | 179.9° | 180.0° |
| H34 | C34 | C35 | H35 | 0.1° | 0.0° |
| C35 | N36 | C38 | C37 | 0.1° | 0.3° |
| C35 | N36 | C38 | H38 | 180.0° | 180.0° |
| H35 | C35 | N36 | C38 | 179.9° | 180.0° |
| N36 | C38 | C37 | H38 | 180.0° | 179.7° |
| N36 | C38 | C37 | H37 | 179.9° | 180.0° |
| H37 | C37 | C38 | H38 | 0.1° | 0.3° |
