A1IOL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | N3 | sing | 1.46Å | 1.46Å | |
| O | C | doub | 1.22Å | 1.22Å | |
| N3 | C | sing | 1.35Å | 1.38Å | |
| N3 | C4 | sing | 1.39Å | 1.36Å | |
| C | N | sing | 1.34Å | 1.39Å | |
| N2 | C4 | sing | 1.34Å | 1.35Å | Aromatic |
| N2 | C3 | doub | 1.31Å | 1.30Å | Aromatic |
| C4 | C2 | doub | 1.39Å | 1.36Å | Aromatic |
| N | C21 | sing | 1.46Å | 1.46Å | |
| N | C1 | sing | 1.35Å | 1.40Å | |
| C3 | N1 | sing | 1.35Å | 1.36Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.43Å | |
| C2 | N1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| N1 | C6 | sing | 1.46Å | 1.44Å | |
| N5 | C12 | sing | 1.47Å | 1.48Å | |
| O4 | C11 | doub | 1.21Å | 1.22Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | N4 | sing | 1.35Å | 1.35Å | |
| C6 | C19 | sing | 1.55Å | 1.52Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C19 | N4 | sing | 1.40Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| N4 | C10 | sing | 1.47Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| O2 | C7 | sing | 1.43Å | 1.44Å | |
| C7 | C20 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.54Å | 1.55Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| N6 | C17 | sing | 1.35Å | 1.34Å | |
| N6 | C16 | sing | 1.47Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| C17 | O5 | doub | 1.21Å | 1.23Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | O3 | sing | 1.43Å | 1.43Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| N5 | H13 | sing | 1.01Å | 1.00Å | |
| N5 | H35 | sing | 1.01Å | 1.00Å | |
| N6 | H23 | sing | 0.97Å | 1.00Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| O3 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N3 | C | 118.9° | 119.9° |
| C5 | N3 | C4 | 120.7° | 120.0° |
| N3 | C5 | H4 | 109.5° | 109.5° |
| N3 | C5 | H6 | 109.5° | 109.5° |
| N3 | C5 | H5 | 109.5° | 109.4° |
| O | C | N3 | 121.3° | 119.2° |
| O | C | N | 121.4° | 119.1° |
| C | N3 | C4 | 120.3° | 120.1° |
| N3 | C | N | 117.2° | 121.7° |
| N3 | C4 | N2 | 126.2° | 133.9° |
| N3 | C4 | C2 | 121.5° | 118.9° |
| C | N | C21 | 116.5° | 119.5° |
| C | N | C1 | 126.0° | 121.0° |
| C4 | N2 | C3 | 103.9° | 109.8° |
| N2 | C4 | C2 | 112.3° | 107.2° |
| N2 | C3 | N1 | 113.9° | 109.7° |
| N2 | C3 | H3 | 123.0° | 125.2° |
| C4 | C2 | C1 | 122.6° | 119.1° |
| C4 | C2 | N1 | 104.9° | 106.2° |
| C21 | N | C1 | 117.4° | 119.5° |
| N | C21 | H32 | 109.5° | 109.5° |
| N | C21 | H33 | 109.5° | 109.5° |
| N | C21 | H34 | 109.5° | 109.5° |
| N | C1 | C2 | 112.2° | 119.3° |
| N | C1 | O1 | 120.5° | 120.4° |
| C3 | N1 | C2 | 105.0° | 107.0° |
| C3 | N1 | C6 | 125.7° | 126.5° |
| N1 | C3 | H3 | 123.0° | 125.1° |
| C1 | C2 | N1 | 132.4° | 134.7° |
| C2 | C1 | O1 | 127.3° | 120.4° |
| C2 | N1 | C6 | 129.3° | 126.5° |
| N1 | C6 | C19 | 112.0° | 109.6° |
| N1 | C6 | C7 | 117.2° | 109.6° |
| N1 | C6 | H | 105.1° | 109.6° |
| N5 | C12 | C11 | 111.3° | 109.5° |
| N5 | C12 | C13 | 106.4° | 109.5° |
| N5 | C12 | H2 | 109.4° | 109.5° |
| C12 | N5 | H13 | 109.5° | 111.0° |
| C12 | N5 | H35 | 109.5° | 111.0° |
| O4 | C11 | C12 | 119.7° | 120.0° |
| O4 | C11 | N4 | 121.8° | 120.0° |
| C11 | C12 | C13 | 112.1° | 109.5° |
| C12 | C11 | N4 | 118.5° | 120.0° |
| C11 | C12 | H2 | 108.9° | 109.4° |
| C12 | C13 | C14 | 118.8° | 109.4° |
| C12 | C13 | H15 | 107.1° | 109.5° |
| C12 | C13 | H16 | 107.1° | 109.5° |
| C13 | C12 | H2 | 108.6° | 109.5° |
| C11 | N4 | C19 | 120.7° | 118.4° |
| C11 | N4 | C10 | 122.9° | 118.6° |
| C19 | C6 | C7 | 112.5° | 108.7° |
| C6 | C19 | N4 | 111.3° | 110.2° |
| C19 | C6 | H | 104.4° | 109.6° |
| C6 | C19 | H27 | 109.0° | 109.3° |
| C6 | C19 | H28 | 109.0° | 109.3° |
| C6 | C7 | O2 | 110.3° | 108.6° |
| C6 | C7 | C20 | 115.1° | 108.7° |
| C6 | C7 | C8 | 101.8° | 113.8° |
| C7 | C6 | H | 104.1° | 109.7° |
| C19 | N4 | C10 | 116.4° | 123.0° |
| N4 | C19 | H27 | 109.0° | 109.4° |
| N4 | C19 | H28 | 109.0° | 109.4° |
| C13 | C14 | C15 | 114.0° | 109.5° |
| C14 | C13 | H15 | 107.1° | 109.5° |
| C14 | C13 | H16 | 107.1° | 109.5° |
| C13 | C14 | H18 | 108.3° | 109.5° |
| C13 | C14 | H17 | 108.3° | 109.5° |
| N4 | C10 | C9 | 113.1° | 106.6° |
| N4 | C10 | H12 | 108.5° | 110.0° |
| N4 | C10 | H11 | 108.5° | 110.1° |
| C14 | C15 | C16 | 116.6° | 109.5° |
| C14 | C15 | H19 | 107.7° | 109.4° |
| C14 | C15 | H20 | 107.7° | 109.5° |
| C15 | C14 | H18 | 108.3° | 109.4° |
| C15 | C14 | H17 | 108.3° | 109.5° |
| O2 | C7 | C20 | 106.0° | 108.6° |
| O2 | C7 | C8 | 110.8° | 108.5° |
| C7 | O2 | H7 | 109.5° | 114.0° |
| C20 | C7 | C8 | 112.9° | 108.6° |
| C7 | C20 | H29 | 109.5° | 109.5° |
| C7 | C20 | H31 | 109.5° | 109.5° |
| C7 | C20 | H30 | 109.5° | 109.5° |
| C7 | C8 | C9 | 116.4° | 113.1° |
| C7 | C8 | H9 | 107.7° | 108.7° |
| C7 | C8 | H8 | 107.7° | 108.8° |
| C18 | C17 | N6 | 116.2° | 120.0° |
| C18 | C17 | O5 | 122.0° | 120.0° |
| C17 | C18 | H26 | 109.5° | 109.4° |
| C17 | C18 | H24 | 109.5° | 109.5° |
| C17 | C18 | H25 | 109.5° | 109.5° |
| C17 | N6 | C16 | 122.7° | 120.0° |
| N6 | C17 | O5 | 121.6° | 120.0° |
| C17 | N6 | H23 | 118.7° | 120.0° |
| N6 | C16 | C15 | 113.7° | 109.5° |
| N6 | C16 | H22 | 108.4° | 109.4° |
| N6 | C16 | H21 | 108.4° | 109.5° |
| C16 | N6 | H23 | 118.6° | 120.0° |
| C16 | C15 | H19 | 107.6° | 109.5° |
| C16 | C15 | H20 | 107.7° | 109.5° |
| C15 | C16 | H22 | 108.4° | 109.4° |
| C15 | C16 | H21 | 108.4° | 109.5° |
| C10 | C9 | C8 | 120.4° | 112.1° |
| C10 | C9 | O3 | 109.0° | 108.9° |
| C9 | C10 | H12 | 108.6° | 110.1° |
| C9 | C10 | H11 | 108.6° | 110.1° |
| C10 | C9 | H1 | 105.5° | 108.9° |
| C8 | C9 | O3 | 108.9° | 108.9° |
| C9 | C8 | H9 | 107.7° | 108.7° |
| C9 | C8 | H8 | 107.7° | 108.8° |
| C8 | C9 | H1 | 105.5° | 109.0° |
| O3 | C9 | H1 | 106.6° | 108.8° |
| C9 | O3 | H10 | 109.5° | 114.0° |
| H4 | C5 | H6 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.4° | 109.5° |
| H6 | C5 | H5 | 109.5° | 109.4° |
| H9 | C8 | H8 | 109.5° | 108.6° |
| H12 | C10 | H11 | 109.5° | 110.0° |
| H15 | C13 | H16 | 109.4° | 109.5° |
| H19 | C15 | H20 | 109.4° | 109.4° |
| H29 | C20 | H31 | 109.5° | 109.5° |
| H29 | C20 | H30 | 109.4° | 109.4° |
| H31 | C20 | H30 | 109.5° | 109.5° |
| H32 | C21 | H33 | 109.4° | 109.4° |
| H32 | C21 | H34 | 109.5° | 109.5° |
| H33 | C21 | H34 | 109.5° | 109.4° |
| H18 | C14 | H17 | 109.5° | 109.4° |
| H22 | C16 | H21 | 109.5° | 109.5° |
| H26 | C18 | H24 | 109.4° | 109.5° |
| H26 | C18 | H25 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.6° |
| H27 | C19 | H28 | 109.5° | 109.2° |
| H13 | N5 | H35 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | N3 | C | O | 1.8° | 0.0° |
| C5 | N3 | C | C4 | 177.6° | 179.9° |
| C5 | N3 | C | N | 177.3° | 179.9° |
| C5 | N3 | C4 | N2 | 2.5° | 0.2° |
| C5 | N3 | C4 | C2 | 177.2° | 179.9° |
| N3 | C5 | H4 | H6 | 120.0° | 120.1° |
| N3 | C5 | H4 | H5 | 120.0° | 120.0° |
| N3 | C5 | H6 | H5 | 120.0° | 119.9° |
| O | C | N3 | N | 179.1° | 180.0° |
| O | C | N3 | C4 | 179.4° | 180.0° |
| O | C | N | C21 | 2.5° | 0.0° |
| O | C | N | C1 | 178.6° | 179.9° |
| C | N3 | C4 | N2 | 179.9° | 179.7° |
| C | N3 | C4 | C2 | 0.4° | 0.0° |
| N3 | C | N | C21 | 178.4° | 180.0° |
| N3 | C | N | C1 | 0.5° | 0.0° |
| C | N3 | C5 | H4 | 180.0° | 0.0° |
| C | N3 | C5 | H6 | 60.0° | 120.0° |
| C | N3 | C5 | H5 | 60.0° | 120.0° |
| C4 | N3 | C | N | 0.3° | 0.0° |
| N3 | C4 | N2 | C2 | 179.7° | 179.7° |
| N3 | C4 | N2 | C3 | 179.8° | 179.8° |
| N3 | C4 | C2 | C1 | 0.3° | 0.1° |
| N3 | C4 | C2 | N1 | 180.0° | 180.0° |
| C4 | N3 | C5 | H4 | 2.3° | 180.0° |
| C4 | N3 | C5 | H6 | 122.4° | 59.9° |
| C4 | N3 | C5 | H5 | 117.6° | 60.1° |
| C | N | C21 | C1 | 179.0° | 180.0° |
| C | N | C1 | C2 | 1.1° | 0.0° |
| C | N | C1 | O1 | 177.8° | 179.9° |
| C | N | C21 | H32 | 180.0° | 89.9° |
| C | N | C21 | H33 | 60.0° | 30.0° |
| C | N | C21 | H34 | 60.0° | 150.0° |
| C4 | N2 | C3 | N1 | 0.2° | 0.1° |
| N2 | C4 | C2 | C1 | 179.4° | 179.9° |
| N2 | C4 | C2 | N1 | 0.4° | 0.2° |
| C4 | N2 | C3 | H3 | 179.8° | 179.8° |
| C3 | N2 | C4 | C2 | 0.1° | 0.1° |
| N2 | C3 | N1 | H3 | 180.0° | 180.0° |
| N2 | C3 | N1 | C2 | 0.4° | 0.3° |
| N2 | C3 | N1 | C6 | 179.6° | 180.0° |
| C4 | C2 | C1 | N | 1.0° | 0.1° |
| C4 | C2 | N1 | C3 | 0.4° | 0.3° |
| C4 | C2 | C1 | N1 | 179.7° | 179.9° |
| C4 | C2 | C1 | O1 | 177.8° | 180.0° |
| C4 | C2 | N1 | C6 | 179.6° | 180.0° |
| C21 | N | C1 | C2 | 177.8° | 180.0° |
| C21 | N | C1 | O1 | 3.3° | 0.0° |
| N | C21 | H32 | H33 | 120.0° | 120.0° |
| N | C21 | H32 | H34 | 120.0° | 120.1° |
| N | C21 | H33 | H34 | 120.0° | 120.0° |
| N | C1 | C2 | O1 | 178.8° | 179.9° |
| N | C1 | C2 | N1 | 179.3° | 179.9° |
| C1 | N | C21 | H32 | 1.0° | 90.1° |
| C1 | N | C21 | H33 | 120.9° | 150.0° |
| C1 | N | C21 | H34 | 119.1° | 30.0° |
| C3 | N1 | C2 | C1 | 179.3° | 179.8° |
| C3 | N1 | C2 | C6 | 180.0° | 179.7° |
| C3 | N1 | C6 | C19 | 124.2° | 140.6° |
| C3 | N1 | C6 | C7 | 103.6° | 21.3° |
| C3 | N1 | C6 | H | 11.5° | 99.1° |
| C1 | C2 | N1 | C6 | 0.7° | 0.1° |
| N1 | C2 | C1 | O1 | 1.8° | 0.1° |
| C2 | N1 | C6 | C19 | 55.8° | 39.8° |
| C2 | N1 | C6 | C7 | 76.4° | 159.0° |
| C2 | N1 | C6 | H | 168.5° | 80.5° |
| C2 | N1 | C3 | H3 | 179.6° | 179.7° |
| N1 | C6 | C19 | C7 | 134.5° | 119.8° |
| N1 | C6 | C19 | H | 113.2° | 120.4° |
| N1 | C6 | C7 | H | 115.6° | 120.4° |
| N1 | C6 | C19 | N4 | 129.5° | 48.3° |
| N1 | C6 | C7 | O2 | 41.6° | 147.7° |
| N1 | C6 | C7 | C20 | 78.2° | 94.4° |
| N1 | C6 | C7 | C8 | 159.3° | 26.8° |
| N1 | C6 | C19 | H27 | 9.3° | 168.5° |
| N1 | C6 | C19 | H28 | 110.2° | 72.0° |
| C6 | N1 | C3 | H3 | 0.4° | 0.0° |
| N5 | C12 | C11 | O4 | 140.4° | 25.0° |
| N5 | C12 | C11 | C13 | 119.1° | 120.0° |
| N5 | C12 | C11 | H2 | 120.6° | 120.0° |
| N5 | C12 | C13 | H2 | 117.7° | 120.0° |
| N5 | C12 | C11 | N4 | 38.6° | 155.0° |
| N5 | C12 | C13 | C14 | 159.9° | 60.0° |
| N5 | C12 | C13 | H15 | 78.8° | 60.0° |
| N5 | C12 | C13 | H16 | 38.5° | 180.0° |
| C12 | N5 | H13 | H35 | 120.0° | 124.0° |
| O4 | C11 | C12 | N4 | 179.0° | 180.0° |
| O4 | C11 | C12 | C13 | 100.4° | 95.0° |
| O4 | C11 | N4 | C19 | 81.8° | 4.7° |
| O4 | C11 | N4 | C10 | 95.3° | 175.4° |
| O4 | C11 | C12 | H2 | 19.8° | 145.0° |
| C11 | C12 | C13 | H2 | 120.4° | 120.0° |
| C12 | C11 | N4 | C19 | 97.1° | 175.3° |
| C11 | C12 | C13 | C14 | 37.9° | 180.0° |
| C12 | C11 | N4 | C10 | 85.7° | 4.6° |
| C11 | C12 | C13 | H15 | 159.3° | 60.0° |
| C11 | C12 | C13 | H16 | 83.4° | 60.0° |
| C11 | C12 | N5 | H13 | 180.0° | 63.9° |
| C11 | C12 | N5 | H35 | 60.0° | 60.0° |
| C13 | C12 | C11 | N4 | 80.6° | 85.0° |
| C12 | C13 | C14 | H15 | 121.3° | 120.0° |
| C12 | C13 | C14 | H16 | 121.3° | 120.0° |
| C12 | C13 | C14 | C15 | 173.9° | 180.0° |
| C12 | C13 | H15 | H16 | 115.8° | 120.0° |
| C12 | C13 | C14 | H18 | 53.2° | 60.0° |
| C12 | C13 | C14 | H17 | 65.5° | 60.0° |
| C13 | C12 | N5 | H13 | 57.5° | 176.1° |
| C13 | C12 | N5 | H35 | 177.5° | 60.0° |
| C11 | N4 | C19 | C6 | 91.1° | 120.9° |
| C11 | N4 | C19 | C10 | 177.3° | 180.0° |
| C11 | N4 | C10 | C9 | 152.6° | 100.9° |
| C11 | N4 | C10 | H12 | 32.1° | 18.4° |
| C11 | N4 | C10 | H11 | 86.8° | 139.7° |
| N4 | C11 | C12 | H2 | 159.2° | 35.0° |
| C11 | N4 | C19 | H27 | 29.2° | 118.9° |
| C11 | N4 | C19 | H28 | 148.7° | 0.7° |
| C19 | C6 | C7 | H | 112.4° | 119.8° |
| C6 | C19 | N4 | H27 | 120.3° | 120.2° |
| C6 | C19 | N4 | H28 | 120.3° | 120.2° |
| C6 | C19 | N4 | C10 | 86.2° | 59.1° |
| C19 | C6 | C7 | O2 | 173.6° | 27.9° |
| C19 | C6 | C7 | C20 | 53.8° | 145.8° |
| C19 | C6 | C7 | C8 | 68.7° | 93.0° |
| C6 | C19 | H27 | H28 | 119.1° | 119.6° |
| C7 | C6 | C19 | N4 | 95.9° | 71.5° |
| C6 | C7 | O2 | C20 | 125.2° | 118.0° |
| C6 | C7 | O2 | C8 | 111.9° | 124.2° |
| C6 | C7 | C20 | C8 | 116.3° | 124.3° |
| C6 | C7 | C8 | C9 | 70.4° | 42.8° |
| C6 | C7 | C8 | H9 | 168.6° | 78.0° |
| C6 | C7 | C8 | H8 | 50.6° | 163.8° |
| C6 | C7 | C20 | H29 | 180.0° | 60.0° |
| C6 | C7 | C20 | H31 | 60.0° | 180.0° |
| C6 | C7 | C20 | H30 | 60.0° | 60.0° |
| C7 | C6 | C19 | H27 | 143.8° | 48.7° |
| C7 | C6 | C19 | H28 | 24.4° | 168.3° |
| C6 | C7 | O2 | H7 | 180.0° | 180.0° |
| C19 | N4 | C10 | C9 | 24.6° | 79.2° |
| N4 | C19 | C6 | H | 16.4° | 168.6° |
| C19 | N4 | C10 | H12 | 145.2° | 161.6° |
| C19 | N4 | C10 | H11 | 95.9° | 40.2° |
| N4 | C19 | H27 | H28 | 119.2° | 119.7° |
| C13 | C14 | C15 | H18 | 120.7° | 120.1° |
| C13 | C14 | C15 | H17 | 120.7° | 120.0° |
| C13 | C14 | C15 | C16 | 179.6° | 180.0° |
| C14 | C13 | H15 | H16 | 115.8° | 120.0° |
| C13 | C14 | C15 | H19 | 59.4° | 60.0° |
| C13 | C14 | C15 | H20 | 58.5° | 60.0° |
| C14 | C13 | C12 | H2 | 82.4° | 60.0° |
| C13 | C14 | H18 | H17 | 117.9° | 120.0° |
| N4 | C10 | C9 | H12 | 120.5° | 119.2° |
| N4 | C10 | C9 | H11 | 120.5° | 119.4° |
| N4 | C10 | C9 | C8 | 47.3° | 90.1° |
| N4 | C10 | C9 | O3 | 174.1° | 149.3° |
| N4 | C10 | H12 | H11 | 118.3° | 121.4° |
| C10 | N4 | C19 | H27 | 153.5° | 61.1° |
| C10 | N4 | C19 | H28 | 34.0° | 179.3° |
| N4 | C10 | C9 | H1 | 71.7° | 30.7° |
| C14 | C15 | C16 | N6 | 68.3° | 180.0° |
| C14 | C15 | C16 | H19 | 121.1° | 120.0° |
| C14 | C15 | C16 | H20 | 121.1° | 120.0° |
| C15 | C14 | C13 | H15 | 64.8° | 60.0° |
| C15 | C14 | C13 | H16 | 52.5° | 60.0° |
| C14 | C15 | H19 | H20 | 116.7° | 120.0° |
| C15 | C14 | H18 | H17 | 117.9° | 120.0° |
| C14 | C15 | C16 | H22 | 52.3° | 60.1° |
| C14 | C15 | C16 | H21 | 171.0° | 60.0° |
| O2 | C7 | C20 | C8 | 121.5° | 117.7° |
| O2 | C7 | C8 | C9 | 172.3° | 78.2° |
| O2 | C7 | C6 | H | 74.0° | 91.9° |
| O2 | C7 | C8 | H9 | 51.3° | 161.0° |
| O2 | C7 | C8 | H8 | 66.7° | 42.8° |
| O2 | C7 | C20 | H29 | 57.8° | 58.0° |
| O2 | C7 | C20 | H31 | 177.8° | 62.0° |
| O2 | C7 | C20 | H30 | 62.2° | 177.9° |
| C20 | C7 | C8 | C9 | 53.6° | 164.0° |
| C20 | C7 | C6 | H | 166.2° | 26.0° |
| C20 | C7 | C8 | H9 | 67.4° | 43.2° |
| C20 | C7 | C8 | H8 | 174.6° | 75.0° |
| C7 | C20 | H29 | H31 | 120.0° | 120.1° |
| C7 | C20 | H29 | H30 | 120.0° | 120.0° |
| C7 | C20 | H31 | H30 | 120.0° | 120.0° |
| C20 | C7 | O2 | H7 | 54.8° | 62.0° |
| C7 | C8 | C9 | C10 | 87.7° | 42.0° |
| C7 | C8 | C9 | H9 | 121.0° | 120.9° |
| C7 | C8 | C9 | H8 | 121.0° | 121.0° |
| C7 | C8 | C9 | O3 | 145.5° | 162.7° |
| C8 | C7 | C6 | H | 43.7° | 147.2° |
| C7 | C8 | H9 | H8 | 116.9° | 118.3° |
| C8 | C7 | C20 | H29 | 63.7° | 175.7° |
| C8 | C7 | C20 | H31 | 56.3° | 55.7° |
| C8 | C7 | C20 | H30 | 176.3° | 64.3° |
| C7 | C8 | C9 | H1 | 31.4° | 78.7° |
| C8 | C7 | O2 | H7 | 68.1° | 55.8° |
| C18 | C17 | N6 | O5 | 176.3° | 179.9° |
| C18 | C17 | N6 | C16 | 154.5° | 180.0° |
| C17 | C18 | H26 | H24 | 120.0° | 120.0° |
| C17 | C18 | H26 | H25 | 120.0° | 119.9° |
| C17 | C18 | H24 | H25 | 120.0° | 120.1° |
| C18 | C17 | N6 | H23 | 25.5° | 0.1° |
| C17 | N6 | C16 | H23 | 180.0° | 179.9° |
| C17 | N6 | C16 | C15 | 130.0° | 180.0° |
| C17 | N6 | C16 | H22 | 109.4° | 60.1° |
| C17 | N6 | C16 | H21 | 9.4° | 60.0° |
| N6 | C17 | C18 | H26 | 176.3° | 90.0° |
| N6 | C17 | C18 | H24 | 56.3° | 29.9° |
| N6 | C17 | C18 | H25 | 63.7° | 150.0° |
| N6 | C16 | C15 | H22 | 120.6° | 119.9° |
| N6 | C16 | C15 | H21 | 120.6° | 120.0° |
| C16 | N6 | C17 | O5 | 21.8° | 0.0° |
| N6 | C16 | C15 | H19 | 52.7° | 60.0° |
| N6 | C16 | C15 | H20 | 170.6° | 59.9° |
| N6 | C16 | H22 | H21 | 118.1° | 120.0° |
| C16 | C15 | H19 | H20 | 116.7° | 120.0° |
| C16 | C15 | C14 | H18 | 58.9° | 60.0° |
| C16 | C15 | C14 | H17 | 59.8° | 60.0° |
| C15 | C16 | H22 | H21 | 118.1° | 120.0° |
| C15 | C16 | N6 | H23 | 50.0° | 0.1° |
| C10 | C9 | C8 | O3 | 126.8° | 120.7° |
| C10 | C9 | C8 | H1 | 119.0° | 120.7° |
| C10 | C9 | O3 | H1 | 113.5° | 118.7° |
| C10 | C9 | C8 | H9 | 151.3° | 162.9° |
| C10 | C9 | C8 | H8 | 33.3° | 79.0° |
| C9 | C10 | H12 | H11 | 118.4° | 121.5° |
| C10 | C9 | O3 | H10 | 180.0° | 57.3° |
| O5 | C17 | C18 | H26 | 0.0° | 90.0° |
| O5 | C17 | C18 | H24 | 120.0° | 150.0° |
| O5 | C17 | C18 | H25 | 120.0° | 29.9° |
| O5 | C17 | N6 | H23 | 158.2° | 180.0° |
| C8 | C9 | O3 | H1 | 113.4° | 118.7° |
| C9 | C8 | H9 | H8 | 116.8° | 118.3° |
| C8 | C9 | C10 | H12 | 73.3° | 150.7° |
| C8 | C9 | C10 | H11 | 167.8° | 29.3° |
| C8 | C9 | O3 | H10 | 46.9° | 180.0° |
| O3 | C9 | C8 | H9 | 24.5° | 76.5° |
| O3 | C9 | C8 | H8 | 93.5° | 41.7° |
| O3 | C9 | C10 | H12 | 53.5° | 30.1° |
| O3 | C9 | C10 | H11 | 65.4° | 91.4° |
| H4 | C5 | H6 | H5 | 120.0° | 120.0° |
| H | C6 | C19 | H27 | 103.9° | 71.1° |
| H | C6 | C19 | H28 | 136.6° | 48.4° |
| H9 | C8 | C9 | H1 | 89.6° | 42.2° |
| H8 | C8 | C9 | H1 | 152.4° | 160.3° |
| H12 | C10 | C9 | H1 | 167.7° | 88.5° |
| H11 | C10 | C9 | H1 | 48.8° | 150.0° |
| H15 | C13 | C12 | H2 | 38.9° | NaN° |
| H15 | C13 | C14 | H18 | 174.5° | 180.0° |
| H15 | C13 | C14 | H17 | 55.8° | 60.0° |
| H16 | C13 | C12 | H2 | 156.2° | 60.0° |
| H16 | C13 | C14 | H18 | 68.1° | 60.0° |
| H16 | C13 | C14 | H17 | 173.2° | 180.0° |
| H19 | C15 | C14 | H18 | 179.9° | 180.0° |
| H19 | C15 | C14 | H17 | 61.3° | 60.0° |
| H19 | C15 | C16 | H22 | 173.4° | 180.0° |
| H19 | C15 | C16 | H21 | 67.9° | 60.0° |
| H20 | C15 | C14 | H18 | 62.2° | 60.1° |
| H20 | C15 | C14 | H17 | 179.2° | 180.0° |
| H20 | C15 | C16 | H22 | 68.7° | 60.0° |
| H20 | C15 | C16 | H21 | 50.0° | 180.0° |
| H29 | C20 | H31 | H30 | 120.0° | 120.0° |
| H32 | C21 | H33 | H34 | 120.0° | 120.0° |
| H2 | C12 | N5 | H13 | 59.7° | 56.0° |
| H2 | C12 | N5 | H35 | 60.4° | 180.0° |
| H22 | C16 | N6 | H23 | 70.6° | 120.0° |
| H21 | C16 | N6 | H23 | 170.6° | 120.0° |
| H26 | C18 | H24 | H25 | 120.0° | 120.0° |
| H1 | C9 | O3 | H10 | 66.5° | 61.3° |
