3NS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | N4 | sing | 1.47Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| O1 | C3 | doub | 1.21Å | 1.23Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C7 | C5 | sing | 1.51Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | C9 | sing | 1.53Å | 1.54Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | C7 | doub | 1.21Å | 1.23Å | |
| N2 | C7 | sing | 1.35Å | 1.34Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| C10 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C13 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| O4 | C12 | doub | 1.21Å | 1.23Å | |
| O3 | C12 | sing | 1.34Å | 1.21Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O5 | C13 | sing | 1.43Å | 1.42Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C19 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.37Å | Aromatic |
| C14 | N3 | sing | 1.36Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.37Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | N4 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | N3 | doub | 1.30Å | 1.34Å | Aromatic |
| N4 | C20 | sing | 1.36Å | 1.35Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N4 | 112.4° | 109.5° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C2 | C1 | H1A | 108.5° | 109.5° |
| C1 | C2 | N1 | 109.8° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.5° |
| C1 | C2 | H2A | 109.4° | 109.4° |
| N4 | C1 | H1 | 108.5° | 109.5° |
| N4 | C1 | H1A | 108.5° | 109.4° |
| C1 | N4 | C19 | 123.7° | 126.3° |
| C1 | N4 | C20 | 130.5° | 126.4° |
| H1 | C1 | H1A | 110.4° | 109.5° |
| N1 | C2 | H2 | 109.4° | 109.5° |
| N1 | C2 | H2A | 109.4° | 109.5° |
| C2 | N1 | C3 | 121.3° | 120.0° |
| C2 | N1 | HN1 | 119.4° | 120.0° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| C3 | N1 | HN1 | 119.3° | 120.0° |
| N1 | C3 | O1 | 125.2° | 120.0° |
| N1 | C3 | C4 | 112.1° | 120.0° |
| O1 | C3 | C4 | 122.6° | 120.0° |
| C3 | C4 | C5 | 109.9° | 109.5° |
| C3 | C4 | H4 | 109.3° | 109.5° |
| C3 | C4 | H4A | 109.3° | 109.5° |
| C5 | C4 | H4 | 109.3° | 109.4° |
| C5 | C4 | H4A | 109.3° | 109.4° |
| C4 | C5 | C7 | 110.1° | 109.5° |
| C4 | C5 | C6 | 112.4° | 109.4° |
| C4 | C5 | H5 | 109.0° | 109.5° |
| H4 | C4 | H4A | 109.7° | 109.5° |
| C7 | C5 | C6 | 114.8° | 109.5° |
| C7 | C5 | H5 | 106.3° | 109.5° |
| C5 | C7 | O2 | 122.1° | 120.0° |
| C5 | C7 | N2 | 113.3° | 120.0° |
| C6 | C5 | H5 | 103.7° | 109.4° |
| C5 | C6 | C8 | 114.6° | 109.4° |
| C5 | C6 | C9 | 110.1° | 109.4° |
| C5 | C6 | H6 | 106.0° | 109.5° |
| C8 | C6 | C9 | 111.2° | 109.5° |
| C8 | C6 | H6 | 104.7° | 109.5° |
| C6 | C8 | H8 | 109.5° | 109.5° |
| C6 | C8 | H8A | 109.5° | 109.4° |
| C6 | C8 | H8B | 109.5° | 109.4° |
| C9 | C6 | H6 | 109.8° | 109.5° |
| C6 | C9 | H9 | 109.5° | 109.4° |
| C6 | C9 | H9A | 109.4° | 109.4° |
| C6 | C9 | H9B | 109.5° | 109.5° |
| O2 | C7 | N2 | 124.6° | 120.0° |
| C7 | N2 | C10 | 123.7° | 120.0° |
| C7 | N2 | HN2 | 118.2° | 120.1° |
| H8 | C8 | H8A | 109.4° | 109.5° |
| H8 | C8 | H8B | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H9 | C9 | H9B | 109.5° | 109.6° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| C10 | N2 | HN2 | 118.1° | 120.0° |
| N2 | C10 | C11 | 108.3° | 109.5° |
| N2 | C10 | C13 | 108.9° | 109.5° |
| N2 | C10 | H10 | 111.1° | 109.5° |
| C11 | C10 | C13 | 110.8° | 109.5° |
| C11 | C10 | H10 | 109.2° | 109.5° |
| C10 | C11 | C12 | 112.6° | 109.5° |
| C10 | C11 | H11 | 108.4° | 109.5° |
| C10 | C11 | H11A | 108.4° | 109.5° |
| C13 | C10 | H10 | 108.6° | 109.5° |
| C10 | C13 | O5 | 111.7° | 109.5° |
| C10 | C13 | H13 | 108.7° | 109.5° |
| C10 | C13 | H13A | 108.8° | 109.5° |
| C12 | C11 | H11 | 108.4° | 109.5° |
| C12 | C11 | H11A | 108.4° | 109.5° |
| C11 | C12 | O4 | 116.8° | 120.0° |
| C11 | C12 | O3 | 120.5° | 120.0° |
| H11 | C11 | H11A | 110.5° | 109.4° |
| O4 | C12 | O3 | 122.0° | 120.0° |
| C12 | O3 | HO3 | 109.5° | 117.1° |
| O5 | C13 | H13 | 108.8° | 109.4° |
| O5 | C13 | H13A | 108.7° | 109.5° |
| C13 | O5 | HO5 | 109.5° | 114.0° |
| H13 | C13 | H13A | 110.2° | 109.4° |
| C19 | C14 | C15 | 120.0° | 119.5° |
| C19 | C14 | N3 | 107.0° | 107.0° |
| C14 | C19 | C18 | 119.3° | 119.8° |
| C14 | C19 | N4 | 107.4° | 106.0° |
| C15 | C14 | N3 | 132.9° | 133.6° |
| C14 | C15 | C16 | 120.3° | 119.9° |
| C14 | C15 | H15 | 119.8° | 120.0° |
| C14 | N3 | C20 | 106.6° | 109.6° |
| C16 | C15 | H15 | 119.8° | 120.1° |
| C15 | C16 | C17 | 120.0° | 120.7° |
| C15 | C16 | H16 | 120.0° | 119.6° |
| C17 | C16 | H16 | 120.0° | 119.7° |
| C16 | C17 | C18 | 119.6° | 120.5° |
| C16 | C17 | H17 | 120.2° | 119.8° |
| C18 | C17 | H17 | 120.2° | 119.8° |
| C17 | C18 | C19 | 120.8° | 119.7° |
| C17 | C18 | H18 | 119.6° | 120.1° |
| C19 | C18 | H18 | 119.6° | 120.2° |
| C18 | C19 | N4 | 133.3° | 134.2° |
| C19 | N4 | C20 | 105.7° | 107.3° |
| N3 | C20 | N4 | 113.2° | 110.1° |
| N3 | C20 | C21 | 122.5° | 124.9° |
| N4 | C20 | C21 | 124.3° | 124.9° |
| C20 | C21 | H21 | 109.5° | 109.5° |
| C20 | C21 | H21A | 109.5° | 109.4° |
| C20 | C21 | H21B | 109.5° | 109.4° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N4 | H1 | 120.0° | 120.0° |
| C2 | C1 | N4 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1A | 118.8° | 120.0° |
| C1 | C2 | N1 | H2 | 120.0° | 120.0° |
| C1 | C2 | N1 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2A | 119.9° | 119.9° |
| C1 | C2 | N1 | C3 | 142.6° | 180.0° |
| C1 | C2 | N1 | HN1 | 37.4° | 0.0° |
| C2 | C1 | N4 | C19 | 59.2° | 90.0° |
| C2 | C1 | N4 | C20 | 117.9° | 89.2° |
| N4 | C1 | H1 | H1A | 118.8° | 119.9° |
| N4 | C1 | C2 | N1 | 178.6° | 180.0° |
| N4 | C1 | C2 | H2 | 61.4° | 60.0° |
| N4 | C1 | C2 | H2A | 58.6° | 60.0° |
| C1 | N4 | C19 | C14 | 179.5° | 179.4° |
| C1 | N4 | C19 | C18 | 1.6° | 0.0° |
| C1 | N4 | C19 | C20 | 177.7° | 179.3° |
| C1 | N4 | C20 | N3 | 178.9° | 179.6° |
| C1 | N4 | C20 | C21 | 2.4° | 0.0° |
| H1 | C1 | C2 | N1 | 61.4° | 60.0° |
| H1 | C1 | C2 | H2 | 58.6° | 60.0° |
| H1 | C1 | C2 | H2A | 178.6° | 180.0° |
| H1 | C1 | N4 | C19 | 179.2° | 30.1° |
| H1 | C1 | N4 | C20 | 2.1° | 150.8° |
| H1A | C1 | C2 | N1 | 58.6° | 60.0° |
| H1A | C1 | C2 | H2 | 178.6° | 180.0° |
| H1A | C1 | C2 | H2A | 61.4° | 60.0° |
| H1A | C1 | N4 | C19 | 60.8° | 150.0° |
| H1A | C1 | N4 | C20 | 122.2° | 30.8° |
| N1 | C2 | H2 | H2A | 119.9° | 120.0° |
| C2 | N1 | C3 | HN1 | 180.0° | 180.0° |
| C2 | N1 | C3 | O1 | 10.1° | 0.0° |
| C2 | N1 | C3 | C4 | 174.6° | 180.0° |
| H2 | C2 | N1 | C3 | 97.4° | 60.0° |
| H2 | C2 | N1 | HN1 | 82.6° | 120.0° |
| H2A | C2 | N1 | C3 | 22.6° | 60.0° |
| H2A | C2 | N1 | HN1 | 157.4° | 120.0° |
| N1 | C3 | O1 | C4 | 174.8° | 180.0° |
| N1 | C3 | C4 | C5 | 157.8° | 176.2° |
| N1 | C3 | C4 | H4 | 37.8° | 63.8° |
| N1 | C3 | C4 | H4A | 82.2° | 56.3° |
| HN1 | N1 | C3 | O1 | 169.9° | 180.0° |
| HN1 | N1 | C3 | C4 | 5.3° | 0.0° |
| O1 | C3 | C4 | C5 | 17.6° | 3.7° |
| O1 | C3 | C4 | H4 | 137.7° | 116.2° |
| O1 | C3 | C4 | H4A | 102.3° | 123.7° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4A | 119.8° | 120.1° |
| C3 | C4 | C5 | C7 | 93.0° | 172.8° |
| C3 | C4 | C5 | C6 | 137.7° | 67.2° |
| C3 | C4 | C5 | H5 | 23.3° | 52.7° |
| C5 | C4 | H4 | H4A | 119.8° | 120.0° |
| C4 | C5 | C7 | C6 | 128.0° | 120.0° |
| C4 | C5 | C7 | H5 | 118.0° | 120.0° |
| C4 | C5 | C6 | H5 | 117.6° | 120.0° |
| C4 | C5 | C6 | C8 | 44.4° | 65.7° |
| C4 | C5 | C6 | C9 | 81.9° | 174.4° |
| C4 | C5 | C6 | H6 | 159.4° | 54.3° |
| C4 | C5 | C7 | O2 | 11.0° | 18.5° |
| C4 | C5 | C7 | N2 | 167.3° | 161.5° |
| H4 | C4 | C5 | C7 | 147.0° | 67.3° |
| H4 | C4 | C5 | C6 | 17.7° | 52.7° |
| H4 | C4 | C5 | H5 | 96.7° | 172.7° |
| H4A | C4 | C5 | C7 | 27.0° | 52.7° |
| H4A | C4 | C5 | C6 | 102.3° | 172.8° |
| H4A | C4 | C5 | H5 | 143.3° | 67.3° |
| C7 | C5 | C6 | H5 | 115.6° | 120.0° |
| C7 | C5 | C6 | C8 | 82.5° | 54.3° |
| C7 | C5 | C6 | C9 | 151.2° | 65.6° |
| C7 | C5 | C6 | H6 | 32.6° | 174.3° |
| C5 | C7 | O2 | N2 | 178.2° | 180.0° |
| C5 | C7 | N2 | C10 | 177.6° | 174.5° |
| C5 | C7 | N2 | HN2 | 2.4° | 5.5° |
| C5 | C6 | C8 | C9 | 125.7° | 119.9° |
| C5 | C6 | C8 | H6 | 115.8° | 120.0° |
| C5 | C6 | C9 | H6 | 116.3° | 120.0° |
| C6 | C5 | C7 | O2 | 117.0° | 101.5° |
| C6 | C5 | C7 | N2 | 64.6° | 78.5° |
| C5 | C6 | C8 | H8 | 180.0° | 64.9° |
| C5 | C6 | C8 | H8A | 60.0° | 175.2° |
| C5 | C6 | C8 | H8B | 60.0° | 55.2° |
| C5 | C6 | C9 | H9 | 180.0° | 59.8° |
| C5 | C6 | C9 | H9A | 60.0° | 179.7° |
| C5 | C6 | C9 | H9B | 60.0° | 60.3° |
| H5 | C5 | C6 | C8 | 162.0° | 174.4° |
| H5 | C5 | C6 | C9 | 35.7° | 54.5° |
| H5 | C5 | C6 | H6 | 83.0° | 65.6° |
| H5 | C5 | C7 | O2 | 129.0° | 138.5° |
| H5 | C5 | C7 | N2 | 49.4° | 41.5° |
| C8 | C6 | C9 | H6 | 115.5° | 120.0° |
| C6 | C8 | H8 | H8A | 120.0° | 120.0° |
| C6 | C8 | H8 | H8B | 120.0° | 120.0° |
| C6 | C8 | H8A | H8B | 120.0° | 120.0° |
| C8 | C6 | C9 | H9 | 51.8° | 179.7° |
| C8 | C6 | C9 | H9A | 171.8° | 60.4° |
| C8 | C6 | C9 | H9B | 68.2° | 59.6° |
| C9 | C6 | C8 | H8 | 54.3° | 55.1° |
| C9 | C6 | C8 | H8A | 65.7° | 64.9° |
| C9 | C6 | C8 | H8B | 174.3° | 175.1° |
| C6 | C9 | H9 | H9A | 120.0° | 119.9° |
| C6 | C9 | H9 | H9B | 120.0° | 120.0° |
| C6 | C9 | H9A | H9B | 120.0° | 120.0° |
| H6 | C6 | C8 | H8 | 64.3° | 175.1° |
| H6 | C6 | C8 | H8A | 175.8° | 55.2° |
| H6 | C6 | C8 | H8B | 55.7° | 64.8° |
| H6 | C6 | C9 | H9 | 63.7° | 60.3° |
| H6 | C6 | C9 | H9A | 56.3° | 59.7° |
| H6 | C6 | C9 | H9B | 176.4° | 179.7° |
| O2 | C7 | N2 | C10 | 0.7° | 5.5° |
| O2 | C7 | N2 | HN2 | 179.3° | 174.4° |
| C7 | N2 | C10 | HN2 | 180.0° | 180.0° |
| C7 | N2 | C10 | C11 | 94.1° | 155.0° |
| C7 | N2 | C10 | C13 | 145.4° | 85.0° |
| C7 | N2 | C10 | H10 | 25.8° | 35.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.1° |
| H9 | C9 | H9A | H9B | 120.0° | 120.1° |
| N2 | C10 | C11 | C13 | 119.4° | 120.0° |
| N2 | C10 | C11 | H10 | 121.0° | 120.0° |
| N2 | C10 | C13 | H10 | 121.1° | 120.0° |
| N2 | C10 | C11 | C12 | 156.8° | 65.0° |
| N2 | C10 | C11 | H11 | 36.8° | 55.0° |
| N2 | C10 | C11 | H11A | 83.2° | 175.0° |
| N2 | C10 | C13 | O5 | 77.8° | 65.0° |
| N2 | C10 | C13 | H13 | 162.2° | 55.0° |
| N2 | C10 | C13 | H13A | 42.2° | 175.0° |
| HN2 | N2 | C10 | C11 | 85.9° | 25.1° |
| HN2 | N2 | C10 | C13 | 34.6° | 95.0° |
| HN2 | N2 | C10 | H10 | 154.2° | 145.0° |
| C11 | C10 | C13 | H10 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11A | 118.7° | 120.0° |
| C10 | C11 | C12 | O4 | 112.3° | 0.0° |
| C10 | C11 | C12 | O3 | 77.2° | 179.9° |
| C11 | C10 | C13 | O5 | 163.3° | 55.1° |
| C11 | C10 | C13 | H13 | 43.2° | 175.0° |
| C11 | C10 | C13 | H13A | 76.8° | 65.0° |
| C13 | C10 | C11 | C12 | 83.9° | 175.0° |
| C13 | C10 | C11 | H11 | 156.1° | 65.0° |
| C13 | C10 | C11 | H11A | 36.1° | 54.9° |
| C10 | C13 | O5 | H13 | 120.0° | 120.0° |
| C10 | C13 | O5 | H13A | 120.0° | 120.1° |
| C10 | C13 | H13 | H13A | 119.1° | 120.0° |
| C10 | C13 | O5 | HO5 | 180.0° | 180.0° |
| H10 | C10 | C11 | C12 | 35.7° | 55.0° |
| H10 | C10 | C11 | H11 | 84.3° | 175.0° |
| H10 | C10 | C11 | H11A | 155.7° | 65.0° |
| H10 | C10 | C13 | O5 | 43.3° | 175.0° |
| H10 | C10 | C13 | H13 | 76.7° | 65.0° |
| H10 | C10 | C13 | H13A | 163.3° | 55.0° |
| C12 | C11 | H11 | H11A | 118.7° | 120.0° |
| C11 | C12 | O4 | O3 | 170.4° | 179.9° |
| C11 | C12 | O3 | HO3 | 170.0° | 180.0° |
| H11 | C11 | C12 | O4 | 127.7° | 120.0° |
| H11 | C11 | C12 | O3 | 42.8° | 59.9° |
| H11A | C11 | C12 | O4 | 7.7° | 120.1° |
| H11A | C11 | C12 | O3 | 162.9° | 60.0° |
| O4 | C12 | O3 | HO3 | 0.0° | 0.1° |
| O5 | C13 | H13 | H13A | 119.1° | 120.0° |
| H13 | C13 | O5 | HO5 | 60.0° | 60.0° |
| H13A | C13 | O5 | HO5 | 60.0° | 59.9° |
| C19 | C14 | C15 | N3 | 175.9° | 179.7° |
| C19 | C14 | C15 | C16 | 1.8° | 0.3° |
| C19 | C14 | C15 | H15 | 178.2° | 179.7° |
| C14 | C19 | C18 | C17 | 2.6° | 0.6° |
| C14 | C19 | C18 | N4 | 178.8° | 179.4° |
| C14 | C19 | C18 | H18 | 177.4° | 179.7° |
| C19 | C14 | N3 | C20 | 0.6° | 0.3° |
| C14 | C19 | N4 | C20 | 1.8° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.1° | 0.1° |
| C14 | C15 | C16 | H16 | 178.9° | 180.0° |
| C15 | C14 | C19 | C18 | 2.6° | 0.6° |
| C15 | C14 | C19 | N4 | 178.3° | 179.9° |
| C15 | C14 | N3 | C20 | 176.9° | 180.0° |
| N3 | C14 | C15 | C16 | 177.7° | 180.0° |
| N3 | C14 | C15 | H15 | 2.3° | 0.0° |
| N3 | C14 | C19 | C18 | 179.4° | 179.6° |
| N3 | C14 | C19 | N4 | 1.5° | 0.1° |
| C14 | N3 | C20 | N4 | 0.5° | 0.4° |
| C14 | N3 | C20 | C21 | 176.1° | 179.2° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 1.1° | 0.1° |
| C15 | C16 | C17 | H17 | 178.9° | 180.0° |
| H15 | C15 | C16 | C17 | 178.9° | 179.9° |
| H15 | C15 | C16 | H16 | 1.1° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 1.9° | 0.4° |
| C16 | C17 | C18 | H18 | 178.1° | 180.0° |
| H16 | C16 | C17 | C18 | 178.8° | 180.0° |
| H16 | C16 | C17 | H17 | 1.1° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C17 | C18 | C19 | N4 | 178.6° | 180.0° |
| H17 | C17 | C18 | C19 | 178.1° | 179.7° |
| H17 | C17 | C18 | H18 | 1.9° | 0.0° |
| C18 | C19 | N4 | C20 | 179.3° | 179.3° |
| H18 | C18 | C19 | N4 | 1.4° | 0.4° |
| C19 | N4 | C20 | N3 | 1.4° | 0.3° |
| C19 | N4 | C20 | C21 | 175.1° | 179.3° |
| N3 | C20 | N4 | C21 | 176.5° | 179.6° |
| N3 | C20 | C21 | H21 | 0.0° | 89.5° |
| N3 | C20 | C21 | H21A | 120.0° | 30.5° |
| N3 | C20 | C21 | H21B | 120.0° | 150.4° |
| N4 | C20 | C21 | H21 | 176.2° | 90.0° |
| N4 | C20 | C21 | H21A | 56.2° | 150.0° |
| N4 | C20 | C21 | H21B | 63.8° | 30.0° |
| C20 | C21 | H21 | H21A | 120.0° | 120.0° |
| C20 | C21 | H21 | H21B | 120.0° | 120.0° |
| C20 | C21 | H21A | H21B | 120.0° | 120.0° |
| H21 | C21 | H21A | H21B | 120.0° | 120.1° |
