PRD_001148
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.48Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.27Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.43Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | C10 | sing | 1.47Å | 1.48Å | |
| N2 | C14 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | C12 | sing | 1.54Å | 1.57Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | O2 | doub | 1.21Å | 1.25Å | |
| C12 | C13 | sing | 1.55Å | 1.49Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.55Å | 1.54Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| N3 | C15 | sing | 1.46Å | 1.47Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.51Å | 1.48Å | |
| C15 | C17 | sing | 1.53Å | 1.57Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | O3 | doub | 1.21Å | 1.25Å | |
| C16 | O4 | sing | 1.34Å | 1.27Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | N4 | sing | 1.47Å | 1.46Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| N4 | C20 | sing | 1.37Å | 1.33Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| C20 | N5 | sing | 1.33Å | 1.33Å | |
| C20 | N6 | doub | 1.33Å | 1.35Å | |
| N5 | H27 | sing | 0.97Å | 1.00Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| N6 | H30 | sing | 0.97Å | 1.00Å | |
| O4 | H31 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.35Å | 1.31Å | |
| C11 | N3 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 106.8° | 109.5° |
| N1 | C1 | C3 | 109.8° | 109.5° |
| N1 | C1 | H3 | 109.8° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.1° |
| C2 | C1 | C3 | 111.8° | 109.5° |
| C2 | C1 | H3 | 109.3° | 109.5° |
| C1 | C2 | O1 | 118.0° | 119.9° |
| C1 | C2 | N2 | 119.9° | 120.0° |
| C3 | C1 | H3 | 109.3° | 109.4° |
| C1 | C3 | C4 | 114.6° | 109.5° |
| C1 | C3 | H4 | 108.2° | 109.5° |
| C1 | C3 | H5 | 108.2° | 109.4° |
| O1 | C2 | N2 | 122.1° | 120.1° |
| C4 | C3 | H4 | 108.2° | 109.5° |
| C4 | C3 | H5 | 108.2° | 109.5° |
| C3 | C4 | C5 | 119.1° | 120.0° |
| C3 | C4 | C6 | 120.3° | 120.0° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| C5 | C4 | C6 | 120.6° | 120.0° |
| C4 | C5 | C7 | 116.7° | 120.0° |
| C4 | C5 | H6 | 121.7° | 120.0° |
| C4 | C6 | C8 | 121.4° | 120.0° |
| C4 | C6 | H7 | 119.3° | 120.0° |
| C7 | C5 | H6 | 121.7° | 120.0° |
| C5 | C7 | C9 | 121.4° | 120.0° |
| C5 | C7 | H8 | 119.3° | 120.0° |
| C8 | C6 | H7 | 119.3° | 120.0° |
| C6 | C8 | C9 | 117.4° | 120.0° |
| C6 | C8 | H9 | 121.3° | 120.0° |
| C9 | C7 | H8 | 119.3° | 119.9° |
| C7 | C9 | C8 | 122.5° | 119.9° |
| C7 | C9 | H10 | 118.8° | 120.1° |
| C9 | C8 | H9 | 121.3° | 119.9° |
| C8 | C9 | H10 | 118.8° | 120.0° |
| C10 | N2 | C14 | 112.1° | 108.7° |
| N2 | C10 | C11 | 110.0° | 109.9° |
| N2 | C10 | C12 | 103.5° | 107.2° |
| N2 | C10 | H11 | 111.8° | 109.9° |
| C10 | N2 | C2 | 120.9° | 125.6° |
| N2 | C14 | C13 | 101.2° | 104.7° |
| N2 | C14 | H16 | 111.5° | 110.4° |
| N2 | C14 | H17 | 111.5° | 110.3° |
| C14 | N2 | C2 | 126.8° | 125.7° |
| C11 | C10 | C12 | 109.6° | 109.9° |
| C11 | C10 | H11 | 111.2° | 109.9° |
| C10 | C11 | O2 | 120.4° | 120.0° |
| C10 | C11 | N3 | 117.7° | 120.0° |
| C12 | C10 | H11 | 110.5° | 110.0° |
| C10 | C12 | C13 | 104.1° | 102.9° |
| C10 | C12 | H12 | 110.8° | 110.7° |
| C10 | C12 | H13 | 110.8° | 110.7° |
| O2 | C11 | N3 | 121.9° | 120.0° |
| C13 | C12 | H12 | 110.8° | 110.7° |
| C13 | C12 | H13 | 110.8° | 110.7° |
| C12 | C13 | C14 | 104.9° | 101.5° |
| C12 | C13 | H14 | 110.6° | 111.0° |
| C12 | C13 | H15 | 110.6° | 111.0° |
| H12 | C12 | H13 | 109.5° | 110.8° |
| C14 | C13 | H14 | 110.6° | 111.2° |
| C14 | C13 | H15 | 110.6° | 110.9° |
| C13 | C14 | H16 | 111.5° | 110.5° |
| C13 | C14 | H17 | 111.5° | 110.3° |
| H14 | C13 | H15 | 109.5° | 110.9° |
| H16 | C14 | H17 | 109.5° | 110.4° |
| C15 | N3 | H18 | 120.3° | 120.0° |
| N3 | C15 | C16 | 112.0° | 109.5° |
| N3 | C15 | C17 | 109.6° | 109.5° |
| N3 | C15 | H19 | 106.7° | 109.5° |
| C15 | N3 | C11 | 119.5° | 120.0° |
| H18 | N3 | C11 | 120.3° | 119.9° |
| C16 | C15 | C17 | 115.7° | 109.5° |
| C16 | C15 | H19 | 106.6° | 109.4° |
| C15 | C16 | O3 | 123.1° | 120.0° |
| C15 | C16 | O4 | 119.4° | 120.0° |
| C17 | C15 | H19 | 105.7° | 109.5° |
| C15 | C17 | C18 | 107.6° | 109.5° |
| C15 | C17 | H20 | 109.9° | 109.4° |
| C15 | C17 | H21 | 109.9° | 109.5° |
| O3 | C16 | O4 | 116.7° | 120.0° |
| C16 | O4 | H31 | 109.5° | 117.0° |
| C18 | C17 | H20 | 110.0° | 109.5° |
| C18 | C17 | H21 | 110.0° | 109.5° |
| C17 | C18 | C19 | 112.0° | 109.4° |
| C17 | C18 | H22 | 108.8° | 109.4° |
| C17 | C18 | H23 | 108.8° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.5° |
| C19 | C18 | H22 | 108.9° | 109.4° |
| C19 | C18 | H23 | 108.8° | 109.5° |
| C18 | C19 | N4 | 107.9° | 109.4° |
| C18 | C19 | H24 | 109.9° | 109.5° |
| C18 | C19 | H25 | 109.8° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.6° |
| N4 | C19 | H24 | 109.8° | 109.4° |
| N4 | C19 | H25 | 109.8° | 109.4° |
| C19 | N4 | C20 | 122.5° | 120.0° |
| C19 | N4 | H26 | 118.7° | 120.0° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| C20 | N4 | H26 | 118.7° | 120.0° |
| N4 | C20 | N5 | 122.2° | 120.0° |
| N4 | C20 | N6 | 119.4° | 120.0° |
| N5 | C20 | N6 | 118.4° | 120.0° |
| C20 | N5 | H27 | 120.0° | 120.0° |
| C20 | N5 | H28 | 120.0° | 120.1° |
| C20 | N6 | H29 | 120.0° | 120.0° |
| C20 | N6 | H30 | 120.0° | 120.0° |
| H27 | N5 | H28 | 120.0° | 120.0° |
| H29 | N6 | H30 | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | C3 | 120.1° | 120.0° |
| N1 | C1 | C2 | H3 | 118.7° | 120.1° |
| N1 | C1 | C3 | H3 | 120.5° | 120.0° |
| N1 | C1 | C2 | O1 | 43.6° | 20.0° |
| N1 | C1 | C3 | C4 | 177.7° | 65.0° |
| N1 | C1 | C3 | H4 | 61.6° | 175.0° |
| N1 | C1 | C3 | H5 | 56.9° | 55.0° |
| N1 | C1 | C2 | N2 | 134.5° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 176.0° |
| H1 | N1 | C1 | C3 | 58.6° | 64.0° |
| H1 | N1 | C1 | H3 | 61.6° | 55.9° |
| H2 | N1 | C1 | C2 | 60.0° | 60.0° |
| H2 | N1 | C1 | C3 | 61.5° | 60.1° |
| H2 | N1 | C1 | H3 | 178.4° | 180.0° |
| C2 | C1 | C3 | H3 | 121.2° | 119.9° |
| C1 | C2 | O1 | N2 | 178.1° | 180.0° |
| C2 | C1 | C3 | C4 | 64.0° | 175.0° |
| C2 | C1 | C3 | H4 | 56.8° | 54.9° |
| C2 | C1 | C3 | H5 | 175.3° | 65.0° |
| C1 | C2 | N2 | C10 | 179.5° | 180.0° |
| C1 | C2 | N2 | C14 | 4.2° | 0.3° |
| C3 | C1 | C2 | O1 | 76.5° | 100.1° |
| C1 | C3 | C4 | H4 | 120.8° | 120.0° |
| C1 | C3 | C4 | H5 | 120.8° | 120.0° |
| C1 | C3 | H4 | H5 | 117.7° | 119.9° |
| C1 | C3 | C4 | C5 | 65.9° | 90.0° |
| C1 | C3 | C4 | C6 | 114.9° | 90.2° |
| C3 | C1 | C2 | N2 | 105.4° | 80.0° |
| H3 | C1 | C2 | O1 | 162.4° | 140.1° |
| H3 | C1 | C3 | C4 | 57.2° | 55.0° |
| H3 | C1 | C3 | H4 | 177.9° | 65.0° |
| H3 | C1 | C3 | H5 | 63.6° | 175.0° |
| H3 | C1 | C2 | N2 | 15.8° | 39.9° |
| O1 | C2 | N2 | C10 | 1.4° | 0.0° |
| O1 | C2 | N2 | C14 | 173.9° | 179.7° |
| C4 | C3 | H4 | H5 | 117.7° | 120.0° |
| C3 | C4 | C5 | C6 | 179.2° | 179.7° |
| C3 | C4 | C5 | C7 | 179.9° | 180.0° |
| C3 | C4 | C5 | H6 | 0.1° | 0.0° |
| C3 | C4 | C6 | C8 | 178.8° | 180.0° |
| C3 | C4 | C6 | H7 | 1.2° | 0.1° |
| H4 | C3 | C4 | C5 | 173.4° | 30.0° |
| H4 | C3 | C4 | C6 | 5.9° | 149.7° |
| H5 | C3 | C4 | C5 | 54.9° | 150.0° |
| H5 | C3 | C4 | C6 | 124.3° | 29.7° |
| C4 | C5 | C7 | H6 | 180.0° | 179.9° |
| C5 | C4 | C6 | C8 | 2.0° | 0.2° |
| C5 | C4 | C6 | H7 | 178.0° | 179.7° |
| C4 | C5 | C7 | C9 | 0.5° | 0.1° |
| C4 | C5 | C7 | H8 | 179.6° | 180.0° |
| C6 | C4 | C5 | C7 | 0.9° | 0.3° |
| C6 | C4 | C5 | H6 | 179.1° | 179.7° |
| C4 | C6 | C8 | H7 | 180.0° | 179.9° |
| C4 | C6 | C8 | C9 | 1.7° | 0.1° |
| C4 | C6 | C8 | H9 | 178.3° | 180.0° |
| C5 | C7 | C9 | H8 | 180.0° | 179.9° |
| C5 | C7 | C9 | C8 | 0.8° | 0.2° |
| C5 | C7 | C9 | H10 | 179.3° | 180.0° |
| H6 | C5 | C7 | C9 | 179.5° | 180.0° |
| H6 | C5 | C7 | H8 | 0.4° | 0.0° |
| C6 | C8 | C9 | C7 | 0.3° | 0.3° |
| C6 | C8 | C9 | H9 | 180.0° | 179.9° |
| C6 | C8 | C9 | H10 | 179.7° | 180.0° |
| H7 | C6 | C8 | C9 | 178.3° | 180.0° |
| H7 | C6 | C8 | H9 | 1.7° | 0.1° |
| C7 | C9 | C8 | H10 | 180.0° | 179.7° |
| C7 | C9 | C8 | H9 | 179.7° | 179.8° |
| H8 | C7 | C9 | C8 | 179.3° | 179.7° |
| H8 | C7 | C9 | H10 | 0.7° | 0.0° |
| H9 | C8 | C9 | H10 | 0.4° | 0.0° |
| C10 | N2 | C14 | C2 | 175.7° | 179.7° |
| N2 | C10 | C11 | C12 | 113.2° | 117.8° |
| N2 | C10 | C11 | H11 | 124.4° | 121.0° |
| N2 | C10 | C12 | H11 | 119.8° | 119.5° |
| N2 | C10 | C11 | O2 | 40.3° | 0.1° |
| N2 | C10 | C12 | C13 | 18.2° | 22.2° |
| N2 | C10 | C12 | H12 | 100.9° | 140.6° |
| N2 | C10 | C12 | H13 | 137.4° | 96.2° |
| C10 | N2 | C14 | C13 | 26.4° | 24.5° |
| C10 | N2 | C14 | H16 | 145.0° | 94.5° |
| C10 | N2 | C14 | H17 | 92.3° | 143.2° |
| N2 | C10 | C11 | N3 | 139.4° | 180.0° |
| C14 | N2 | C10 | C11 | 111.2° | 120.7° |
| C14 | N2 | C10 | C12 | 5.8° | 1.3° |
| C14 | N2 | C10 | H11 | 124.7° | 118.3° |
| N2 | C14 | C13 | C12 | 37.3° | 37.3° |
| N2 | C14 | C13 | H16 | 118.6° | 118.9° |
| N2 | C14 | C13 | H17 | 118.6° | 118.7° |
| N2 | C14 | C13 | H14 | 156.6° | 80.8° |
| N2 | C14 | C13 | H15 | 81.9° | 155.3° |
| N2 | C14 | H16 | H17 | 123.9° | 122.3° |
| C11 | C10 | C12 | H11 | 122.8° | 121.1° |
| C10 | C11 | O2 | N3 | 179.7° | 179.9° |
| C11 | C10 | C12 | C13 | 135.6° | 97.2° |
| C11 | C10 | C12 | H12 | 16.4° | 21.2° |
| C11 | C10 | C12 | H13 | 105.3° | 144.4° |
| C10 | C11 | N3 | C15 | 177.3° | 180.0° |
| C10 | C11 | N3 | H18 | 2.7° | 0.0° |
| C11 | C10 | N2 | C2 | 64.7° | 59.6° |
| C12 | C10 | C11 | O2 | 72.9° | 117.8° |
| C10 | C12 | C13 | H12 | 119.1° | 118.4° |
| C10 | C12 | C13 | H13 | 119.1° | 118.3° |
| C10 | C12 | H12 | H13 | 122.4° | 123.2° |
| C10 | C12 | C13 | C14 | 34.6° | 35.7° |
| C10 | C12 | C13 | H14 | 153.8° | 82.6° |
| C10 | C12 | C13 | H15 | 84.7° | 153.5° |
| C12 | C10 | N2 | C2 | 178.2° | 179.0° |
| C12 | C10 | C11 | N3 | 107.4° | 62.2° |
| H11 | C10 | C11 | O2 | 164.6° | 121.0° |
| H11 | C10 | C12 | C13 | 101.6° | 141.7° |
| H11 | C10 | C12 | H12 | 139.3° | 99.9° |
| H11 | C10 | C12 | H13 | 17.6° | 23.3° |
| H11 | C10 | N2 | C2 | 59.3° | 61.4° |
| H11 | C10 | C11 | N3 | 15.1° | 59.0° |
| O2 | C11 | N3 | C15 | 2.4° | 0.0° |
| O2 | C11 | N3 | H18 | 177.7° | 179.9° |
| C13 | C12 | H12 | H13 | 122.5° | 123.3° |
| C12 | C13 | C14 | H14 | 119.2° | 118.1° |
| C12 | C13 | C14 | H15 | 119.3° | 118.0° |
| C12 | C13 | H14 | H15 | 122.1° | 123.9° |
| C12 | C13 | C14 | H16 | 156.0° | 81.6° |
| C12 | C13 | C14 | H17 | 81.3° | 156.0° |
| H12 | C12 | C13 | C14 | 84.6° | 154.0° |
| H12 | C12 | C13 | H14 | 34.7° | 35.8° |
| H12 | C12 | C13 | H15 | 156.1° | 88.1° |
| H13 | C12 | C13 | C14 | 153.7° | 82.6° |
| H13 | C12 | C13 | H14 | 87.0° | 159.1° |
| H13 | C12 | C13 | H15 | 34.4° | 35.2° |
| C14 | C13 | H14 | H15 | 122.2° | 123.9° |
| C13 | C14 | H16 | H17 | 123.9° | 122.4° |
| C13 | C14 | N2 | C2 | 157.9° | 155.8° |
| H14 | C13 | C14 | H16 | 84.8° | 160.3° |
| H14 | C13 | C14 | H17 | 38.0° | 37.9° |
| H15 | C13 | C14 | H16 | 36.7° | 36.4° |
| H15 | C13 | C14 | H17 | 159.4° | 86.0° |
| H16 | C14 | N2 | C2 | 39.3° | 85.2° |
| H17 | C14 | N2 | C2 | 83.4° | 37.1° |
| C15 | N3 | H18 | C11 | 180.0° | 179.9° |
| N3 | C15 | C16 | C17 | 126.6° | 120.0° |
| N3 | C15 | C16 | H19 | 116.3° | 120.0° |
| N3 | C15 | C17 | H19 | 114.6° | 120.0° |
| N3 | C15 | C16 | O3 | 158.2° | 0.0° |
| N3 | C15 | C16 | O4 | 11.0° | 180.0° |
| N3 | C15 | C17 | C18 | 80.9° | 65.0° |
| N3 | C15 | C17 | H20 | 38.8° | 55.0° |
| N3 | C15 | C17 | H21 | 159.4° | 175.0° |
| H18 | N3 | C15 | C16 | 87.3° | 95.1° |
| H18 | N3 | C15 | C17 | 42.6° | 24.9° |
| H18 | N3 | C15 | H19 | 156.5° | 145.0° |
| C16 | C15 | C17 | H19 | 117.6° | 120.0° |
| C15 | C16 | O3 | O4 | 169.5° | 180.0° |
| C16 | C15 | C17 | C18 | 151.3° | 175.0° |
| C16 | C15 | C17 | H20 | 89.0° | 65.0° |
| C16 | C15 | C17 | H21 | 31.6° | 55.0° |
| C15 | C16 | O4 | H31 | 169.9° | 180.0° |
| C16 | C15 | N3 | C11 | 92.7° | 85.0° |
| C17 | C15 | C16 | O3 | 31.7° | 120.0° |
| C17 | C15 | C16 | O4 | 137.6° | 60.0° |
| C15 | C17 | C18 | H20 | 119.7° | 120.0° |
| C15 | C17 | C18 | H21 | 119.7° | 120.0° |
| C15 | C17 | H20 | H21 | 120.9° | 120.0° |
| C15 | C17 | C18 | C19 | 168.8° | 180.0° |
| C15 | C17 | C18 | H22 | 70.8° | 60.1° |
| C15 | C17 | C18 | H23 | 48.4° | 60.0° |
| C17 | C15 | N3 | C11 | 137.4° | 155.0° |
| H19 | C15 | C16 | O3 | 85.5° | 120.0° |
| H19 | C15 | C16 | O4 | 105.3° | 60.0° |
| H19 | C15 | C17 | C18 | 33.7° | 55.0° |
| H19 | C15 | C17 | H20 | 153.4° | 175.0° |
| H19 | C15 | C17 | H21 | 86.0° | 65.0° |
| H19 | C15 | N3 | C11 | 23.5° | 35.0° |
| O3 | C16 | O4 | H31 | 0.0° | 0.0° |
| C18 | C17 | H20 | H21 | 120.9° | 120.0° |
| C17 | C18 | C19 | H22 | 120.4° | 119.9° |
| C17 | C18 | C19 | H23 | 120.4° | 120.0° |
| C17 | C18 | H22 | H23 | 118.8° | 120.0° |
| C17 | C18 | C19 | N4 | 169.7° | 180.0° |
| C17 | C18 | C19 | H24 | 70.6° | 60.1° |
| C17 | C18 | C19 | H25 | 49.9° | 60.0° |
| H20 | C17 | C18 | C19 | 49.1° | 60.0° |
| H20 | C17 | C18 | H22 | 169.5° | 179.9° |
| H20 | C17 | C18 | H23 | 71.2° | 60.0° |
| H21 | C17 | C18 | C19 | 71.5° | 60.0° |
| H21 | C17 | C18 | H22 | 48.9° | 59.9° |
| H21 | C17 | C18 | H23 | 168.1° | 180.0° |
| C19 | C18 | H22 | H23 | 118.9° | 120.1° |
| C18 | C19 | N4 | H24 | 119.8° | 120.0° |
| C18 | C19 | N4 | H25 | 119.7° | 120.0° |
| C18 | C19 | H24 | H25 | 120.7° | 120.1° |
| C18 | C19 | N4 | C20 | 167.1° | 180.0° |
| C18 | C19 | N4 | H26 | 12.9° | 0.0° |
| H22 | C18 | C19 | N4 | 49.3° | 60.1° |
| H22 | C18 | C19 | H24 | 169.0° | 180.0° |
| H22 | C18 | C19 | H25 | 70.5° | 59.9° |
| H23 | C18 | C19 | N4 | 70.0° | 60.0° |
| H23 | C18 | C19 | H24 | 49.8° | 59.9° |
| H23 | C18 | C19 | H25 | 170.3° | 180.0° |
| N4 | C19 | H24 | H25 | 120.7° | 119.9° |
| C19 | N4 | C20 | H26 | 180.0° | 180.0° |
| C19 | N4 | C20 | N5 | 4.9° | 0.0° |
| C19 | N4 | C20 | N6 | 176.1° | 180.0° |
| H24 | C19 | N4 | C20 | 73.2° | 60.0° |
| H24 | C19 | N4 | H26 | 106.9° | 120.0° |
| H25 | C19 | N4 | C20 | 47.3° | 60.0° |
| H25 | C19 | N4 | H26 | 132.6° | 120.0° |
| N4 | C20 | N5 | N6 | 179.1° | 179.9° |
| N4 | C20 | N5 | H27 | 179.1° | 0.0° |
| N4 | C20 | N5 | H28 | 0.9° | 180.0° |
| N4 | C20 | N6 | H29 | 179.1° | 0.1° |
| N4 | C20 | N6 | H30 | 0.9° | 180.0° |
| H26 | N4 | C20 | N5 | 175.2° | 180.0° |
| H26 | N4 | C20 | N6 | 3.9° | 0.0° |
| C20 | N5 | H27 | H28 | 180.0° | 180.0° |
| N5 | C20 | N6 | H29 | 0.0° | 180.0° |
| N5 | C20 | N6 | H30 | 180.0° | 0.1° |
| N6 | C20 | N5 | H27 | 0.0° | 180.0° |
| N6 | C20 | N5 | H28 | 180.0° | 0.1° |
| C20 | N6 | H29 | H30 | 180.0° | 179.9° |
