A1ISP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.54Å | 1.55Å | |
| C8 | C9 | sing | 1.55Å | 1.52Å | |
| C3 | C9 | sing | 1.54Å | 1.52Å | |
| C3 | N1 | sing | 1.47Å | 1.46Å | |
| C7 | C6 | sing | 1.55Å | 1.52Å | |
| C5 | C6 | sing | 1.54Å | 1.51Å | |
| C9 | N2 | sing | 1.49Å | 1.45Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C6 | N2 | sing | 1.49Å | 1.46Å | |
| N2 | C10 | sing | 1.39Å | 1.38Å | |
| C10 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.41Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.48Å | 1.48Å | |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| O1 | C16 | doub | 1.22Å | 1.21Å | |
| C13 | C22 | sing | 1.48Å | 1.48Å | |
| C16 | N3 | sing | 1.34Å | 1.40Å | |
| N3 | C22 | sing | 1.35Å | 1.39Å | |
| N3 | C17 | sing | 1.47Å | 1.44Å | |
| C22 | O4 | doub | 1.22Å | 1.21Å | |
| C19 | C20 | sing | 1.51Å | 1.49Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| O3 | C21 | doub | 1.21Å | 1.21Å | |
| C21 | C17 | sing | 1.51Å | 1.53Å | |
| C21 | N4 | sing | 1.34Å | 1.38Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| N4 | C20 | sing | 1.34Å | 1.38Å | |
| C20 | O2 | doub | 1.21Å | 1.22Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| N4 | H7 | sing | 0.97Å | 1.00Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| N1 | H26 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 111.0° | 109.8° |
| C4 | C3 | C9 | 108.9° | 108.9° |
| C4 | C3 | N1 | 110.5° | 109.5° |
| C4 | C3 | H6 | 109.1° | 109.7° |
| C3 | C4 | H23 | 109.1° | 109.5° |
| C3 | C4 | H24 | 109.1° | 109.4° |
| C4 | C5 | C6 | 110.8° | 108.9° |
| C4 | C5 | H8 | 109.2° | 109.6° |
| C4 | C5 | H9 | 109.1° | 109.7° |
| C5 | C4 | H23 | 109.1° | 109.4° |
| C5 | C4 | H24 | 109.1° | 109.4° |
| C7 | C8 | C9 | 104.6° | 104.8° |
| C8 | C7 | C6 | 104.9° | 104.8° |
| C8 | C7 | H10 | 110.6° | 110.3° |
| C8 | C7 | H11 | 110.6° | 110.5° |
| C7 | C8 | H12 | 110.6° | 110.3° |
| C7 | C8 | H13 | 110.7° | 110.4° |
| C8 | C9 | C3 | 117.8° | 107.8° |
| C8 | C9 | N2 | 99.8° | 104.2° |
| C9 | C8 | H12 | 110.7° | 110.4° |
| C9 | C8 | H13 | 110.7° | 110.4° |
| C8 | C9 | H14 | 110.4° | 112.2° |
| C9 | C3 | N1 | 109.2° | 109.6° |
| C3 | C9 | N2 | 106.4° | 107.3° |
| C9 | C3 | H6 | 109.1° | 109.6° |
| C3 | C9 | H14 | 110.4° | 112.1° |
| C3 | N1 | C2 | 114.5° | 111.0° |
| N1 | C3 | H6 | 110.0° | 109.5° |
| C3 | N1 | H26 | 108.2° | 111.0° |
| C7 | C6 | C5 | 113.0° | 107.8° |
| C7 | C6 | N2 | 100.5° | 104.2° |
| C6 | C7 | H10 | 110.6° | 110.3° |
| C6 | C7 | H11 | 110.6° | 110.4° |
| C7 | C6 | H25 | 111.4° | 112.2° |
| C5 | C6 | N2 | 107.5° | 107.3° |
| C6 | C5 | H8 | 109.1° | 109.5° |
| C6 | C5 | H9 | 109.1° | 109.6° |
| C5 | C6 | H25 | 111.6° | 112.1° |
| C9 | N2 | C6 | 106.0° | 103.4° |
| C9 | N2 | C10 | 127.8° | 111.0° |
| N2 | C9 | H14 | 111.5° | 112.8° |
| N1 | C2 | C1 | 110.9° | 109.5° |
| N1 | C2 | H4 | 109.1° | 109.5° |
| N1 | C2 | H5 | 109.1° | 109.5° |
| C2 | N1 | H26 | 108.2° | 111.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 109.1° | 109.4° |
| C1 | C2 | H5 | 109.1° | 109.5° |
| C6 | N2 | C10 | 126.1° | 111.1° |
| N2 | C6 | H25 | 112.4° | 112.7° |
| N2 | C10 | C15 | 122.0° | 119.8° |
| N2 | C10 | C11 | 116.7° | 119.9° |
| C15 | C10 | C11 | 121.3° | 120.3° |
| C10 | C15 | C14 | 117.7° | 119.6° |
| C10 | C15 | H17 | 121.1° | 120.2° |
| C10 | C11 | C12 | 120.5° | 120.4° |
| C10 | C11 | H15 | 119.7° | 119.8° |
| C15 | C14 | C13 | 120.6° | 119.9° |
| C15 | C14 | C16 | 131.4° | 134.3° |
| C14 | C15 | H17 | 121.2° | 120.2° |
| C11 | C12 | C13 | 117.8° | 119.8° |
| C12 | C11 | H15 | 119.7° | 119.8° |
| C11 | C12 | H16 | 121.1° | 120.0° |
| C13 | C14 | C16 | 108.0° | 105.8° |
| C14 | C13 | C12 | 121.9° | 120.0° |
| C14 | C13 | C22 | 108.2° | 105.9° |
| C14 | C16 | O1 | 128.9° | 125.7° |
| C14 | C16 | N3 | 105.5° | 108.5° |
| C12 | C13 | C22 | 129.9° | 134.2° |
| C13 | C12 | H16 | 121.1° | 120.1° |
| O1 | C16 | N3 | 125.5° | 125.8° |
| C13 | C22 | N3 | 105.8° | 108.7° |
| C13 | C22 | O4 | 129.0° | 125.6° |
| C16 | N3 | C22 | 111.5° | 111.1° |
| C16 | N3 | C17 | 126.3° | 124.5° |
| C22 | N3 | C17 | 122.2° | 124.4° |
| N3 | C22 | O4 | 125.2° | 125.7° |
| N3 | C17 | C21 | 108.1° | 109.7° |
| N3 | C17 | C18 | 112.5° | 109.5° |
| N3 | C17 | H18 | 107.2° | 109.5° |
| C20 | C19 | C18 | 109.9° | 109.3° |
| C19 | C20 | N4 | 115.3° | 121.3° |
| C19 | C20 | O2 | 124.1° | 119.3° |
| C20 | C19 | H21 | 109.4° | 109.5° |
| C20 | C19 | H22 | 109.4° | 109.5° |
| C19 | C18 | C17 | 110.3° | 108.7° |
| C19 | C18 | H19 | 109.3° | 109.5° |
| C19 | C18 | H20 | 109.2° | 109.7° |
| C18 | C19 | H21 | 109.3° | 109.1° |
| C18 | C19 | H22 | 109.4° | 109.8° |
| O3 | C21 | C17 | 122.2° | 119.4° |
| O3 | C21 | N4 | 121.0° | 119.3° |
| C17 | C21 | N4 | 116.8° | 121.3° |
| C21 | C17 | C18 | 116.2° | 109.2° |
| C21 | C17 | H18 | 106.2° | 109.4° |
| C21 | N4 | C20 | 125.7° | 122.6° |
| C21 | N4 | H7 | 117.2° | 118.8° |
| C18 | C17 | H18 | 106.2° | 109.6° |
| C17 | C18 | H19 | 109.3° | 109.7° |
| C17 | C18 | H20 | 109.3° | 109.7° |
| N4 | C20 | O2 | 120.5° | 119.4° |
| C20 | N4 | H7 | 117.1° | 118.6° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H8 | C5 | H9 | 109.5° | 109.6° |
| H10 | C7 | H11 | 109.5° | 110.4° |
| H12 | C8 | H13 | 109.5° | 110.5° |
| H19 | C18 | H20 | 109.5° | 109.6° |
| H21 | C19 | H22 | 109.5° | 109.6° |
| H23 | C4 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H23 | 120.2° | 120.1° |
| C3 | C4 | C5 | H24 | 120.2° | 120.0° |
| C4 | C3 | C9 | C8 | 47.5° | 47.7° |
| C4 | C3 | C9 | N1 | 120.7° | 119.8° |
| C4 | C3 | C9 | H6 | 119.0° | 120.0° |
| C4 | C3 | N1 | H6 | 120.5° | 120.3° |
| C3 | C4 | C5 | C6 | 49.0° | 54.0° |
| C4 | C3 | C9 | N2 | 63.3° | 64.0° |
| C4 | C3 | N1 | C2 | 45.6° | 85.6° |
| C3 | C4 | C5 | H8 | 71.1° | 65.8° |
| C3 | C4 | C5 | H9 | 169.2° | 173.9° |
| C4 | C3 | C9 | H14 | 175.6° | 171.6° |
| C3 | C4 | H23 | H24 | 119.3° | 119.8° |
| C4 | C3 | N1 | H26 | 75.2° | 38.4° |
| C5 | C4 | C3 | C9 | 50.9° | 54.0° |
| C5 | C4 | C3 | N1 | 69.1° | 65.8° |
| C4 | C5 | C6 | C7 | 51.5° | 47.7° |
| C4 | C5 | C6 | H8 | 120.2° | 119.8° |
| C4 | C5 | C6 | H9 | 120.2° | 120.0° |
| C4 | C5 | C6 | N2 | 58.5° | 64.1° |
| C5 | C4 | C3 | H6 | 169.9° | 173.9° |
| C4 | C5 | H8 | H9 | 119.4° | 120.4° |
| C5 | C4 | H23 | H24 | 119.3° | 119.9° |
| C4 | C5 | C6 | H25 | 177.9° | 171.6° |
| C7 | C8 | C9 | H12 | 119.2° | 118.8° |
| C7 | C8 | C9 | H13 | 119.2° | 118.9° |
| C7 | C8 | C9 | C3 | 84.1° | 88.6° |
| C8 | C7 | C6 | H10 | 119.3° | 118.7° |
| C8 | C7 | C6 | H11 | 119.3° | 119.0° |
| C8 | C7 | C6 | C5 | 89.6° | 88.6° |
| C7 | C8 | C9 | N2 | 30.4° | 25.2° |
| C8 | C7 | C6 | N2 | 24.6° | 25.3° |
| C8 | C7 | H10 | H11 | 122.1° | 122.3° |
| C7 | C8 | H12 | H13 | 122.2° | 122.3° |
| C7 | C8 | C9 | H14 | 147.8° | 147.4° |
| C8 | C7 | C6 | H25 | 143.8° | 147.5° |
| C8 | C9 | C3 | N2 | 110.8° | 111.7° |
| C8 | C9 | C3 | H14 | 128.1° | 123.9° |
| C8 | C9 | C3 | N1 | 168.3° | 167.5° |
| C9 | C8 | C7 | C6 | 3.5° | 0.0° |
| C8 | C9 | N2 | H14 | 116.6° | 121.9° |
| C8 | C9 | N2 | C6 | 49.0° | 41.7° |
| C8 | C9 | N2 | C10 | 129.8° | 77.5° |
| C8 | C9 | C3 | H6 | 71.5° | 72.3° |
| C9 | C8 | C7 | H10 | 115.8° | 118.8° |
| C9 | C8 | C7 | H11 | 122.8° | 118.9° |
| C9 | C8 | H12 | H13 | 122.3° | 122.3° |
| C9 | C3 | N1 | H6 | 119.7° | 120.3° |
| C3 | C9 | N2 | H14 | 120.4° | 124.0° |
| C9 | C3 | N1 | C2 | 165.3° | 155.0° |
| C3 | C9 | N2 | C6 | 74.0° | 72.5° |
| C3 | C9 | N2 | C10 | 107.2° | 168.3° |
| C3 | C9 | C8 | H12 | 156.7° | 152.6° |
| C3 | C9 | C8 | H13 | 35.1° | 30.2° |
| C9 | C3 | C4 | H23 | 171.1° | 174.1° |
| C9 | C3 | C4 | H24 | 69.3° | 66.1° |
| C9 | C3 | N1 | H26 | 44.6° | 81.0° |
| N1 | C3 | C9 | N2 | 57.4° | 55.7° |
| C3 | N1 | C2 | H26 | 120.7° | 124.0° |
| C3 | N1 | C2 | C1 | 178.9° | 180.0° |
| C3 | N1 | C2 | H4 | 60.9° | 60.0° |
| C3 | N1 | C2 | H5 | 58.7° | 60.0° |
| N1 | C3 | C9 | H14 | 63.7° | 68.6° |
| N1 | C3 | C4 | H23 | 51.1° | 54.3° |
| N1 | C3 | C4 | H24 | 170.7° | 174.1° |
| C7 | C6 | C5 | N2 | 109.9° | 111.8° |
| C7 | C6 | C5 | H25 | 126.4° | 124.0° |
| C7 | C6 | N2 | C9 | 46.8° | 41.7° |
| C7 | C6 | N2 | H25 | 118.5° | 121.9° |
| C7 | C6 | N2 | C10 | 131.9° | 77.4° |
| C7 | C6 | C5 | H8 | 171.7° | 167.5° |
| C7 | C6 | C5 | H9 | 68.7° | 72.3° |
| C6 | C7 | H10 | H11 | 122.1° | 122.3° |
| C6 | C7 | C8 | H12 | 115.7° | 118.9° |
| C6 | C7 | C8 | H13 | 122.7° | 118.8° |
| C5 | C6 | N2 | C9 | 71.5° | 72.5° |
| C5 | C6 | N2 | H25 | 123.2° | 123.9° |
| C5 | C6 | N2 | C10 | 109.7° | 168.4° |
| C6 | C5 | H8 | H9 | 119.4° | 120.3° |
| C5 | C6 | C7 | H10 | 29.7° | 30.2° |
| C5 | C6 | C7 | H11 | 151.1° | 152.5° |
| C6 | C5 | C4 | H23 | 169.3° | 174.1° |
| C6 | C5 | C4 | H24 | 71.2° | 66.1° |
| C9 | N2 | C6 | C10 | 178.8° | 119.1° |
| C9 | N2 | C10 | C15 | 13.6° | 180.0° |
| C9 | N2 | C10 | C11 | 165.5° | 0.3° |
| N2 | C9 | C3 | H6 | 177.7° | 176.0° |
| N2 | C9 | C8 | H12 | 88.8° | 93.6° |
| N2 | C9 | C8 | H13 | 149.6° | 144.0° |
| C9 | N2 | C6 | H25 | 165.4° | 163.6° |
| N1 | C2 | C1 | H4 | 120.2° | 120.0° |
| N1 | C2 | C1 | H5 | 120.2° | 120.1° |
| N1 | C2 | C1 | H1 | 180.0° | 180.0° |
| N1 | C2 | C1 | H2 | 60.0° | 60.0° |
| N1 | C2 | C1 | H3 | 60.0° | 60.0° |
| N1 | C2 | H4 | H5 | 119.3° | 120.1° |
| C2 | N1 | C3 | H6 | 74.9° | 34.7° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 119.3° | 119.9° |
| C1 | C2 | N1 | H26 | 58.2° | 56.0° |
| C6 | N2 | C10 | C15 | 164.9° | 65.5° |
| C6 | N2 | C10 | C11 | 15.9° | 114.8° |
| N2 | C6 | C5 | H8 | 61.7° | 55.7° |
| N2 | C6 | C5 | H9 | 178.6° | 176.0° |
| N2 | C6 | C7 | H10 | 143.9° | 144.0° |
| N2 | C6 | C7 | H11 | 94.7° | 93.7° |
| C6 | N2 | C9 | H14 | 165.6° | 163.5° |
| N2 | C10 | C15 | C11 | 179.1° | 179.7° |
| N2 | C10 | C15 | C14 | 179.3° | 179.7° |
| N2 | C10 | C11 | C12 | 179.5° | 179.7° |
| C10 | N2 | C9 | H14 | 13.2° | 44.3° |
| N2 | C10 | C11 | H15 | 0.5° | 0.3° |
| N2 | C10 | C15 | H17 | 0.7° | 0.2° |
| C10 | N2 | C6 | H25 | 13.4° | 44.5° |
| C10 | C15 | C14 | H17 | 180.0° | 180.0° |
| C15 | C10 | C11 | C12 | 0.3° | 0.0° |
| C10 | C15 | C14 | C13 | 0.0° | 0.0° |
| C10 | C15 | C14 | C16 | 179.2° | 179.9° |
| C15 | C10 | C11 | H15 | 179.7° | 179.9° |
| C11 | C10 | C15 | C14 | 0.2° | 0.0° |
| C10 | C11 | C12 | H15 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C12 | H16 | 179.8° | 179.9° |
| C11 | C10 | C15 | H17 | 179.8° | 180.0° |
| C15 | C14 | C13 | C16 | 179.4° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C15 | C14 | C16 | O1 | 4.5° | 0.0° |
| C15 | C14 | C13 | C22 | 179.9° | 180.0° |
| C15 | C14 | C16 | N3 | 173.8° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C11 | C12 | C13 | H16 | 180.0° | 179.9° |
| C11 | C12 | C13 | C22 | 180.0° | 180.0° |
| C14 | C13 | C12 | C22 | 180.0° | 180.0° |
| C13 | C14 | C16 | O1 | 176.3° | 180.0° |
| C13 | C14 | C16 | N3 | 5.5° | 0.1° |
| C14 | C13 | C22 | N3 | 6.3° | 0.0° |
| C14 | C13 | C22 | O4 | 174.0° | 179.9° |
| C14 | C13 | C12 | H16 | 180.0° | 180.0° |
| C13 | C14 | C15 | H17 | 180.0° | 180.0° |
| C16 | C14 | C13 | C12 | 179.5° | 180.0° |
| C14 | C16 | O1 | N3 | 177.9° | 179.9° |
| C16 | C14 | C13 | C22 | 0.5° | 0.0° |
| C14 | C16 | N3 | C22 | 9.8° | 0.1° |
| C14 | C16 | N3 | C17 | 170.8° | 180.0° |
| C16 | C14 | C15 | H17 | 0.8° | 0.0° |
| C12 | C13 | C22 | N3 | 173.7° | 180.0° |
| C12 | C13 | C22 | O4 | 5.9° | 0.1° |
| C13 | C12 | C11 | H15 | 179.8° | 179.9° |
| O1 | C16 | N3 | C22 | 171.8° | 180.0° |
| O1 | C16 | N3 | C17 | 7.6° | 0.1° |
| C13 | C22 | N3 | C16 | 10.2° | 0.0° |
| C13 | C22 | N3 | O4 | 179.7° | 179.9° |
| C13 | C22 | N3 | C17 | 170.4° | 180.0° |
| C22 | C13 | C12 | H16 | 0.0° | 0.1° |
| C16 | N3 | C22 | C17 | 179.4° | 179.9° |
| C16 | N3 | C22 | O4 | 170.2° | 180.0° |
| C16 | N3 | C17 | C21 | 48.2° | 120.1° |
| C16 | N3 | C17 | C18 | 81.5° | 120.0° |
| C16 | N3 | C17 | H18 | 162.2° | 0.1° |
| C22 | N3 | C17 | C21 | 131.2° | 59.8° |
| C22 | N3 | C17 | C18 | 99.2° | 60.0° |
| C22 | N3 | C17 | H18 | 17.1° | 179.9° |
| C17 | N3 | C22 | O4 | 9.2° | 0.1° |
| N3 | C17 | C18 | C19 | 91.1° | 175.6° |
| N3 | C17 | C21 | O3 | 55.9° | 30.9° |
| N3 | C17 | C21 | C18 | 127.5° | 120.0° |
| N3 | C17 | C21 | H18 | 114.7° | 120.1° |
| N3 | C17 | C21 | N4 | 125.8° | 149.1° |
| N3 | C17 | C18 | H18 | 116.9° | 120.0° |
| N3 | C17 | C18 | H19 | 29.1° | 64.7° |
| N3 | C17 | C18 | H20 | 148.8° | 55.7° |
| C20 | C19 | C18 | H21 | 120.1° | 119.7° |
| C20 | C19 | C18 | H22 | 120.1° | 120.2° |
| C19 | C20 | N4 | C21 | 16.0° | 0.2° |
| C20 | C19 | C18 | C17 | 57.1° | 55.3° |
| C19 | C20 | N4 | O2 | 176.3° | 180.0° |
| C19 | C20 | N4 | H7 | 164.0° | 179.5° |
| C20 | C19 | C18 | H19 | 177.2° | 175.0° |
| C20 | C19 | C18 | H20 | 63.0° | 64.6° |
| C20 | C19 | H21 | H22 | 119.8° | 120.2° |
| C19 | C18 | C17 | C21 | 34.2° | 55.5° |
| C19 | C18 | C17 | H19 | 120.2° | 119.7° |
| C19 | C18 | C17 | H20 | 120.1° | 119.9° |
| C18 | C19 | C20 | N4 | 49.3° | 28.6° |
| C18 | C19 | C20 | O2 | 126.9° | 151.3° |
| C19 | C18 | C17 | H18 | 152.0° | 64.3° |
| C19 | C18 | H19 | H20 | 119.6° | 120.4° |
| C18 | C19 | H21 | H22 | 119.8° | 120.3° |
| O3 | C21 | C17 | N4 | 178.4° | 180.0° |
| O3 | C21 | C17 | C18 | 176.6° | 150.9° |
| O3 | C21 | N4 | C20 | 172.9° | 179.5° |
| O3 | C21 | N4 | H7 | 7.1° | 0.8° |
| O3 | C21 | C17 | H18 | 58.8° | 89.2° |
| C21 | C17 | C18 | H18 | 117.8° | 119.8° |
| C17 | C21 | N4 | C20 | 8.7° | 0.5° |
| C17 | C21 | N4 | H7 | 171.3° | 179.2° |
| C21 | C17 | C18 | H19 | 154.4° | 175.1° |
| C21 | C17 | C18 | H20 | 85.9° | 64.4° |
| N4 | C21 | C17 | C18 | 1.8° | 29.1° |
| C21 | N4 | C20 | H7 | 180.0° | 179.7° |
| C21 | N4 | C20 | O2 | 160.4° | 179.7° |
| N4 | C21 | C17 | H18 | 119.5° | 90.8° |
| C17 | C18 | H19 | H20 | 119.6° | 120.4° |
| C17 | C18 | C19 | H21 | 63.0° | 64.4° |
| C17 | C18 | C19 | H22 | 177.2° | 175.4° |
| N4 | C20 | C19 | H21 | 70.7° | 90.8° |
| N4 | C20 | C19 | H22 | 169.4° | 149.0° |
| O2 | C20 | N4 | H7 | 19.6° | 0.5° |
| O2 | C20 | C19 | H21 | 113.1° | 89.2° |
| O2 | C20 | C19 | H22 | 6.8° | 31.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.8° | 60.0° |
| H1 | C1 | C2 | H5 | 59.8° | 59.9° |
| H2 | C1 | C2 | H4 | 179.8° | 60.0° |
| H2 | C1 | C2 | H5 | 60.3° | 179.9° |
| H3 | C1 | C2 | H4 | 60.2° | 180.0° |
| H3 | C1 | C2 | H5 | 179.8° | 60.0° |
| H4 | C2 | N1 | H26 | 178.4° | 63.9° |
| H5 | C2 | N1 | H26 | 62.1° | 176.1° |
| H6 | C3 | C9 | H14 | 56.6° | 51.6° |
| H6 | C3 | C4 | H23 | 69.9° | 65.9° |
| H6 | C3 | C4 | H24 | 49.7° | 53.9° |
| H6 | C3 | N1 | H26 | 164.3° | 158.7° |
| H8 | C5 | C4 | H23 | 49.1° | 54.3° |
| H8 | C5 | C4 | H24 | 168.6° | 174.1° |
| H8 | C5 | C6 | H25 | 61.9° | 68.6° |
| H9 | C5 | C4 | H23 | 70.5° | 66.0° |
| H9 | C5 | C4 | H24 | 49.0° | 53.8° |
| H9 | C5 | C6 | H25 | 57.7° | 51.7° |
| H10 | C7 | C8 | H12 | 125.0° | 122.4° |
| H10 | C7 | C8 | H13 | 3.5° | 0.0° |
| H10 | C7 | C6 | H25 | 96.9° | 93.7° |
| H11 | C7 | C8 | H12 | 3.6° | 0.1° |
| H11 | C7 | C8 | H13 | 118.0° | 122.3° |
| H11 | C7 | C6 | H25 | 24.6° | 28.6° |
| H12 | C8 | C9 | H14 | 28.6° | 28.7° |
| H13 | C8 | C9 | H14 | 93.0° | 93.7° |
| H15 | C11 | C12 | H16 | 0.2° | 0.0° |
| H18 | C17 | C18 | H19 | 87.8° | 55.3° |
| H18 | C17 | C18 | H20 | 31.9° | 175.8° |
| H19 | C18 | C19 | H21 | 57.2° | 55.3° |
| H19 | C18 | C19 | H22 | 62.7° | 64.8° |
| H20 | C18 | C19 | H21 | 176.9° | 175.7° |
| H20 | C18 | C19 | H22 | 57.1° | 55.6° |
