A1ASC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1H | C1E | sing | 1.53Å | 1.52Å | |
| C1E | C19 | sing | 1.53Å | 1.56Å | |
| C19 | C9 | sing | 1.51Å | 1.48Å | |
| C10 | C9 | doub | 1.36Å | 1.33Å | |
| C10 | C16 | sing | 1.41Å | 1.43Å | |
| O3 | C16 | doub | 1.22Å | 1.22Å | |
| C9 | C14 | sing | 1.46Å | 1.46Å | |
| C16 | O1 | sing | 1.34Å | 1.38Å | |
| C14 | C12 | doub | 1.41Å | 1.39Å | Aromatic |
| C14 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| O1 | C12 | sing | 1.35Å | 1.40Å | |
| C12 | C5 | sing | 1.40Å | 1.43Å | Aromatic |
| C11 | C7 | doub | 1.36Å | 1.40Å | Aromatic |
| C1G | C15 | sing | 1.51Å | 1.49Å | |
| C1G | C1I | sing | 1.53Å | 1.57Å | |
| C18 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C1F | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C1F | C1K | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C | sing | 1.47Å | 1.52Å | |
| C5 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C1I | C1B | sing | 1.53Å | 1.57Å | |
| C8 | N4 | sing | 1.40Å | 1.43Å | |
| C8 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C1K | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| N4 | C | sing | 1.35Å | 1.39Å | |
| N4 | C1B | sing | 1.47Å | 1.49Å | |
| C | O2 | doub | 1.22Å | 1.22Å | |
| C13 | O | sing | 1.36Å | 1.35Å | |
| O | C20 | sing | 1.43Å | 1.44Å | |
| C20 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | N | sing | 1.47Å | 1.49Å | |
| C2 | N | sing | 1.47Å | 1.50Å | |
| C2 | C1J | sing | 1.53Å | 1.50Å | |
| N | C1C | sing | 1.47Å | 1.53Å | |
| C1J | N6 | sing | 1.47Å | 1.52Å | |
| C1C | C1A | sing | 1.53Å | 1.47Å | |
| N6 | C1A | sing | 1.47Å | 1.50Å | |
| N6 | C1 | sing | 1.47Å | 1.54Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C1A | H1AA | sing | 1.09Å | 1.10Å | |
| C1A | H1AB | sing | 1.09Å | 1.10Å | |
| C1B | H1BB | sing | 1.09Å | 1.10Å | |
| C1B | H1BA | sing | 1.09Å | 1.10Å | |
| C1C | H1CA | sing | 1.09Å | 1.10Å | |
| C1C | H1CB | sing | 1.09Å | 1.10Å | |
| C1E | H1EB | sing | 1.09Å | 1.10Å | |
| C1E | H1EA | sing | 1.09Å | 1.10Å | |
| C1F | H1F | sing | 1.08Å | 1.08Å | |
| C1G | H1GA | sing | 1.09Å | 1.10Å | |
| C1G | H1GB | sing | 1.09Å | 1.10Å | |
| C1H | H1HA | sing | 1.09Å | 1.10Å | |
| C1H | H1HC | sing | 1.09Å | 1.10Å | |
| C1H | H1HB | sing | 1.09Å | 1.10Å | |
| C1I | H1IB | sing | 1.09Å | 1.10Å | |
| C1I | H1IA | sing | 1.09Å | 1.10Å | |
| C1J | H1JB | sing | 1.09Å | 1.10Å | |
| C1J | H1JA | sing | 1.09Å | 1.10Å | |
| C1K | H1K | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1H | C1E | C19 | 111.6° | 109.5° |
| C1H | C1E | H1EB | 108.9° | 109.4° |
| C1H | C1E | H1EA | 108.9° | 109.4° |
| C1E | C1H | H1HA | 109.5° | 109.5° |
| C1E | C1H | H1HC | 109.4° | 109.5° |
| C1E | C1H | H1HB | 109.5° | 109.5° |
| C1E | C19 | C9 | 111.1° | 109.5° |
| C1E | C19 | H19A | 109.1° | 109.5° |
| C1E | C19 | H19B | 109.1° | 109.5° |
| C19 | C1E | H1EB | 108.9° | 109.5° |
| C19 | C1E | H1EA | 108.9° | 109.5° |
| C19 | C9 | C10 | 121.7° | 120.9° |
| C19 | C9 | C14 | 118.7° | 120.9° |
| C9 | C19 | H19A | 109.1° | 109.5° |
| C9 | C19 | H19B | 109.1° | 109.5° |
| C9 | C10 | C16 | 122.3° | 119.8° |
| C10 | C9 | C14 | 119.5° | 118.2° |
| C9 | C10 | H10 | 118.8° | 120.1° |
| C10 | C16 | O3 | 124.0° | 119.2° |
| C10 | C16 | O1 | 119.6° | 121.7° |
| C16 | C10 | H10 | 118.9° | 120.1° |
| O3 | C16 | O1 | 116.3° | 119.1° |
| C9 | C14 | C12 | 117.0° | 119.0° |
| C9 | C14 | C11 | 125.2° | 120.9° |
| C16 | O1 | C12 | 117.9° | 121.5° |
| C12 | C14 | C11 | 117.7° | 120.1° |
| C14 | C12 | O1 | 123.6° | 119.9° |
| C14 | C12 | C5 | 121.3° | 119.3° |
| C14 | C11 | C7 | 121.9° | 120.2° |
| C14 | C11 | H11 | 119.1° | 119.9° |
| O1 | C12 | C5 | 115.1° | 120.7° |
| C12 | C5 | C | 118.1° | 120.3° |
| C12 | C5 | C13 | 120.2° | 119.4° |
| C11 | C7 | C13 | 120.2° | 120.6° |
| C7 | C11 | H11 | 119.0° | 119.9° |
| C11 | C7 | H7 | 119.9° | 119.7° |
| C15 | C1G | C1I | 106.2° | 110.6° |
| C1G | C15 | C18 | 122.8° | 119.0° |
| C1G | C15 | C8 | 116.4° | 121.4° |
| C15 | C1G | H1GA | 110.3° | 109.2° |
| C15 | C1G | H1GB | 110.3° | 109.3° |
| C1G | C1I | C1B | 112.8° | 108.8° |
| C1I | C1G | H1GA | 110.3° | 109.3° |
| C1I | C1G | H1GB | 110.3° | 109.3° |
| C1G | C1I | H1IB | 108.6° | 109.6° |
| C1G | C1I | H1IA | 108.6° | 109.6° |
| C15 | C18 | C1F | 119.0° | 120.3° |
| C18 | C15 | C8 | 120.7° | 119.6° |
| C15 | C18 | H18 | 120.5° | 119.8° |
| C18 | C1F | C1K | 120.6° | 120.1° |
| C1F | C18 | H18 | 120.5° | 119.9° |
| C18 | C1F | H1F | 119.7° | 119.9° |
| C15 | C8 | N4 | 117.1° | 120.8° |
| C15 | C8 | C17 | 120.0° | 120.0° |
| C1F | C1K | C17 | 119.4° | 119.9° |
| C1K | C1F | H1F | 119.7° | 119.9° |
| C1F | C1K | H1K | 120.3° | 120.0° |
| C | C5 | C13 | 121.2° | 120.3° |
| C5 | C | N4 | 118.2° | 120.0° |
| C5 | C | O2 | 119.4° | 120.0° |
| C5 | C13 | C7 | 118.7° | 120.3° |
| C5 | C13 | O | 117.5° | 119.9° |
| C7 | C13 | O | 123.9° | 119.8° |
| C13 | C7 | H7 | 119.9° | 119.7° |
| C1I | C1B | N4 | 108.8° | 107.8° |
| C1I | C1B | H1BB | 109.6° | 109.8° |
| C1I | C1B | H1BA | 109.6° | 109.8° |
| C1B | C1I | H1IB | 108.6° | 109.6° |
| C1B | C1I | H1IA | 108.6° | 109.6° |
| N4 | C8 | C17 | 122.8° | 119.2° |
| C8 | N4 | C | 124.3° | 120.6° |
| C8 | N4 | C1B | 119.7° | 118.9° |
| C8 | C17 | C1K | 120.2° | 120.1° |
| C8 | C17 | H17 | 119.9° | 120.0° |
| C1K | C17 | H17 | 119.9° | 119.9° |
| C17 | C1K | H1K | 120.3° | 120.1° |
| C | N4 | C1B | 116.0° | 120.6° |
| N4 | C | O2 | 122.4° | 120.0° |
| N4 | C1B | H1BB | 109.6° | 109.8° |
| N4 | C1B | H1BA | 109.6° | 109.8° |
| C13 | O | C20 | 120.2° | 117.0° |
| O | C20 | C3 | 104.6° | 109.5° |
| O | C20 | H20B | 110.7° | 109.4° |
| O | C20 | H20A | 110.7° | 109.5° |
| C20 | C3 | N | 113.9° | 109.5° |
| C20 | C3 | H3A | 108.4° | 109.4° |
| C20 | C3 | H3B | 108.3° | 109.5° |
| C3 | C20 | H20B | 110.7° | 109.5° |
| C3 | C20 | H20A | 110.7° | 109.5° |
| C3 | N | C2 | 112.4° | 111.0° |
| C3 | N | C1C | 109.2° | 111.0° |
| N | C3 | H3A | 108.3° | 109.5° |
| N | C3 | H3B | 108.4° | 109.5° |
| N | C2 | C1J | 107.8° | 109.4° |
| C2 | N | C1C | 109.3° | 110.9° |
| N | C2 | H2B | 109.9° | 109.5° |
| N | C2 | H2A | 109.9° | 109.6° |
| C2 | C1J | N6 | 109.7° | 109.4° |
| C1J | C2 | H2B | 109.9° | 109.5° |
| C1J | C2 | H2A | 109.9° | 109.4° |
| C2 | C1J | H1JB | 109.4° | 109.5° |
| C2 | C1J | H1JA | 109.4° | 109.5° |
| N | C1C | C1A | 112.5° | 109.4° |
| N | C1C | H1CA | 108.7° | 109.5° |
| N | C1C | H1CB | 108.7° | 109.5° |
| C1J | N6 | C1A | 108.7° | 110.9° |
| C1J | N6 | C1 | 109.9° | 111.0° |
| N6 | C1J | H1JB | 109.4° | 109.5° |
| N6 | C1J | H1JA | 109.4° | 109.5° |
| C1C | C1A | N6 | 110.0° | 109.4° |
| C1C | C1A | H1AA | 109.3° | 109.5° |
| C1C | C1A | H1AB | 109.4° | 109.5° |
| C1A | C1C | H1CA | 108.7° | 109.5° |
| C1A | C1C | H1CB | 108.7° | 109.5° |
| C1A | N6 | C1 | 109.1° | 111.0° |
| N6 | C1A | H1AA | 109.4° | 109.5° |
| N6 | C1A | H1AB | 109.3° | 109.6° |
| N6 | C1 | H1C | 109.5° | 109.4° |
| N6 | C1 | H1A | 109.5° | 109.5° |
| N6 | C1 | H1B | 109.5° | 109.5° |
| H1C | C1 | H1A | 109.5° | 109.4° |
| H1C | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.4° | 109.5° |
| H2B | C2 | H2A | 109.5° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.5° |
| H20B | C20 | H20A | 109.5° | 109.4° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H1AA | C1A | H1AB | 109.4° | 109.5° |
| H1BB | C1B | H1BA | 109.5° | 109.7° |
| H1CA | C1C | H1CB | 109.5° | 109.5° |
| H1EB | C1E | H1EA | 109.5° | 109.5° |
| H1GA | C1G | H1GB | 109.5° | 109.2° |
| H1HA | C1H | H1HC | 109.5° | 109.5° |
| H1HA | C1H | H1HB | 109.5° | 109.4° |
| H1HC | C1H | H1HB | 109.5° | 109.4° |
| H1IB | C1I | H1IA | 109.5° | 109.6° |
| H1JB | C1J | H1JA | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1H | C1E | C19 | H1EB | 120.3° | 120.0° |
| C1H | C1E | C19 | H1EA | 120.3° | 120.0° |
| C1H | C1E | C19 | C9 | 173.2° | 180.0° |
| C1H | C1E | C19 | H19A | 66.5° | 60.0° |
| C1H | C1E | C19 | H19B | 53.0° | 60.0° |
| C1H | C1E | H1EB | H1EA | 119.0° | 119.9° |
| C1E | C1H | H1HA | H1HC | 120.0° | 120.1° |
| C1E | C1H | H1HA | H1HB | 120.0° | 120.0° |
| C1E | C1H | H1HC | H1HB | 120.0° | 120.0° |
| C1E | C19 | C9 | H19A | 120.2° | 120.0° |
| C1E | C19 | C9 | H19B | 120.2° | 120.0° |
| C1E | C19 | C9 | C10 | 93.2° | 95.0° |
| C1E | C19 | C9 | C14 | 83.2° | 85.0° |
| C1E | C19 | H19A | H19B | 119.2° | 120.0° |
| C19 | C1E | H1EB | H1EA | 119.0° | 120.0° |
| C19 | C1E | C1H | H1HA | 180.0° | 180.0° |
| C19 | C1E | C1H | H1HC | 60.0° | 60.0° |
| C19 | C1E | C1H | H1HB | 60.0° | 60.0° |
| C19 | C9 | C10 | C14 | 176.4° | 180.0° |
| C19 | C9 | C10 | C16 | 178.0° | 180.0° |
| C19 | C9 | C14 | C12 | 176.7° | 180.0° |
| C19 | C9 | C14 | C11 | 1.8° | 0.0° |
| C19 | C9 | C10 | H10 | 2.0° | 0.1° |
| C9 | C19 | H19A | H19B | 119.3° | 120.0° |
| C9 | C19 | C1E | H1EB | 52.9° | 60.0° |
| C9 | C19 | C1E | H1EA | 66.5° | 60.0° |
| C9 | C10 | C16 | H10 | 180.0° | 180.0° |
| C9 | C10 | C16 | O3 | 178.5° | 180.0° |
| C9 | C10 | C16 | O1 | 2.3° | 0.0° |
| C10 | C9 | C14 | C12 | 0.2° | 0.0° |
| C10 | C9 | C14 | C11 | 178.3° | 180.0° |
| C10 | C9 | C19 | H19A | 146.5° | 25.0° |
| C10 | C9 | C19 | H19B | 27.0° | 145.0° |
| C10 | C16 | O3 | O1 | 176.3° | 180.0° |
| C16 | C10 | C9 | C14 | 1.6° | 0.0° |
| C10 | C16 | O1 | C12 | 1.5° | 0.1° |
| O3 | C16 | O1 | C12 | 178.0° | 180.0° |
| O3 | C16 | C10 | H10 | 1.5° | 0.1° |
| C9 | C14 | C12 | C11 | 178.6° | 180.0° |
| C9 | C14 | C12 | O1 | 0.6° | 0.0° |
| C9 | C14 | C12 | C5 | 178.0° | 180.0° |
| C9 | C14 | C11 | C7 | 178.6° | 179.7° |
| C9 | C14 | C11 | H11 | 1.4° | 0.0° |
| C14 | C9 | C10 | H10 | 178.4° | 180.0° |
| C14 | C9 | C19 | H19A | 37.0° | 155.0° |
| C14 | C9 | C19 | H19B | 156.5° | 35.0° |
| C16 | O1 | C12 | C14 | 0.1° | 0.0° |
| C16 | O1 | C12 | C5 | 178.8° | 180.0° |
| O1 | C16 | C10 | H10 | 177.7° | 179.9° |
| C14 | C12 | O1 | C5 | 178.6° | 180.0° |
| C12 | C14 | C11 | C7 | 0.1° | 0.3° |
| C14 | C12 | C5 | C | 170.7° | 180.0° |
| C14 | C12 | C5 | C13 | 1.0° | 0.3° |
| C12 | C14 | C11 | H11 | 179.8° | 180.0° |
| C11 | C14 | C12 | O1 | 179.1° | 180.0° |
| C11 | C14 | C12 | C5 | 0.6° | 0.0° |
| C14 | C11 | C7 | H11 | 180.0° | 179.7° |
| C14 | C11 | C7 | C13 | 0.5° | 0.3° |
| C14 | C11 | C7 | H7 | 179.6° | 180.0° |
| O1 | C12 | C5 | C | 7.9° | 0.0° |
| O1 | C12 | C5 | C13 | 179.7° | 179.7° |
| C12 | C5 | C | C13 | 171.6° | 179.7° |
| C12 | C5 | C13 | C7 | 0.7° | 0.3° |
| C12 | C5 | C | N4 | 76.6° | 95.0° |
| C12 | C5 | C | O2 | 100.8° | 84.9° |
| C12 | C5 | C13 | O | 179.6° | 179.7° |
| C11 | C7 | C13 | C5 | 0.1° | 0.0° |
| C11 | C7 | C13 | H7 | 180.0° | 179.7° |
| C11 | C7 | C13 | O | 179.7° | 180.0° |
| C15 | C1G | C1I | H1GA | 119.5° | 120.3° |
| C15 | C1G | C1I | H1GB | 119.5° | 120.3° |
| C1G | C15 | C18 | C8 | 176.5° | 179.8° |
| C1G | C15 | C18 | C1F | 178.0° | 179.6° |
| C15 | C1G | C1I | C1B | 61.0° | 51.4° |
| C1G | C15 | C8 | N4 | 1.1° | 0.5° |
| C1G | C15 | C8 | C17 | 176.4° | 179.8° |
| C1G | C15 | C18 | H18 | 2.1° | 0.5° |
| C15 | C1G | H1GA | H1GB | 121.5° | 119.4° |
| C15 | C1G | C1I | H1IB | 59.5° | 68.4° |
| C15 | C1G | C1I | H1IA | 178.5° | 171.2° |
| C1I | C1G | C15 | C18 | 128.3° | 159.6° |
| C1I | C1G | C15 | C8 | 48.3° | 20.7° |
| C1G | C1I | C1B | H1IB | 120.5° | 119.8° |
| C1G | C1I | C1B | H1IA | 120.5° | 119.8° |
| C1G | C1I | C1B | N4 | 23.7° | 63.2° |
| C1G | C1I | C1B | H1BB | 143.6° | 56.4° |
| C1G | C1I | C1B | H1BA | 96.2° | 177.1° |
| C1I | C1G | H1GA | H1GB | 121.5° | 119.5° |
| C1G | C1I | H1IB | H1IA | 118.5° | 120.3° |
| C15 | C18 | C1F | H18 | 180.0° | 179.9° |
| C15 | C18 | C1F | C1K | 3.0° | 0.3° |
| C18 | C15 | C8 | N4 | 177.8° | 179.7° |
| C18 | C15 | C8 | C17 | 0.3° | 0.0° |
| C15 | C18 | C1F | H1F | 177.0° | 180.0° |
| C18 | C15 | C1G | H1GA | 8.8° | 80.2° |
| C18 | C15 | C1G | H1GB | 112.2° | 39.3° |
| C1F | C18 | C15 | C8 | 1.4° | 0.2° |
| C18 | C1F | C1K | H1F | 180.0° | 179.7° |
| C18 | C1F | C1K | C17 | 2.8° | 0.2° |
| C18 | C1F | C1K | H1K | 177.1° | 179.9° |
| C15 | C8 | N4 | C17 | 177.4° | 179.7° |
| C15 | C8 | C17 | C1K | 0.5° | 0.1° |
| C15 | C8 | N4 | C | 133.0° | 166.3° |
| C15 | C8 | N4 | C1B | 44.6° | 13.6° |
| C15 | C8 | C17 | H17 | 179.5° | 179.9° |
| C8 | C15 | C18 | H18 | 178.6° | 179.7° |
| C8 | C15 | C1G | H1GA | 167.8° | 99.6° |
| C8 | C15 | C1G | H1GB | 71.1° | 141.0° |
| C1F | C1K | C17 | C8 | 1.0° | 0.0° |
| C1F | C1K | C17 | H1K | 180.0° | 179.6° |
| C1F | C1K | C17 | H17 | 179.0° | 180.0° |
| C1K | C1F | C18 | H18 | 177.0° | 179.6° |
| C | C5 | C13 | C7 | 170.8° | 180.0° |
| C5 | C | N4 | C8 | 14.3° | 176.2° |
| C5 | C | N4 | O2 | 177.3° | 179.9° |
| C5 | C | N4 | C1B | 163.4° | 3.6° |
| C | C5 | C13 | O | 9.0° | 0.0° |
| C5 | C13 | C7 | O | 179.8° | 180.0° |
| C13 | C5 | C | N4 | 111.7° | 85.3° |
| C13 | C5 | C | O2 | 70.9° | 94.8° |
| C5 | C13 | O | C20 | 177.9° | 174.6° |
| C5 | C13 | C7 | H7 | 180.0° | 179.7° |
| C7 | C13 | O | C20 | 1.8° | 5.4° |
| C13 | C7 | C11 | H11 | 179.5° | 180.0° |
| C1I | C1B | N4 | C8 | 28.6° | 44.7° |
| C1I | C1B | N4 | C | 149.2° | 135.1° |
| C1I | C1B | N4 | H1BB | 119.9° | 119.6° |
| C1I | C1B | N4 | H1BA | 119.9° | 119.6° |
| C1I | C1B | H1BB | H1BA | 120.3° | 120.8° |
| C1B | C1I | C1G | H1GA | 179.5° | 68.9° |
| C1B | C1I | C1G | H1GB | 58.5° | 171.7° |
| C1B | C1I | H1IB | H1IA | 118.5° | 120.3° |
| N4 | C8 | C17 | C1K | 177.9° | 179.8° |
| C8 | N4 | C | C1B | 177.7° | 179.8° |
| C8 | N4 | C | O2 | 168.4° | 3.7° |
| N4 | C8 | C17 | H17 | 2.1° | 0.2° |
| C8 | N4 | C1B | H1BB | 91.3° | 74.9° |
| C8 | N4 | C1B | H1BA | 148.5° | 164.3° |
| C8 | C17 | C1K | H17 | 180.0° | 180.0° |
| C17 | C8 | N4 | C | 49.6° | 13.5° |
| C17 | C8 | N4 | C1B | 132.8° | 166.7° |
| C8 | C17 | C1K | H1K | 178.9° | 179.7° |
| C17 | C1K | C1F | H1F | 177.2° | 179.9° |
| C | N4 | C1B | H1BB | 90.9° | 105.3° |
| C | N4 | C1B | H1BA | 29.3° | 15.5° |
| C1B | N4 | C | O2 | 13.9° | 176.5° |
| N4 | C1B | H1BB | H1BA | 120.3° | 120.8° |
| N4 | C1B | C1I | H1IB | 96.8° | 56.6° |
| N4 | C1B | C1I | H1IA | 144.2° | 176.9° |
| C13 | O | C20 | C3 | 157.0° | 175.1° |
| C13 | O | C20 | H20B | 83.7° | 65.0° |
| C13 | O | C20 | H20A | 37.8° | 55.0° |
| O | C13 | C7 | H7 | 0.3° | 0.3° |
| O | C20 | C3 | H20B | 119.2° | 120.0° |
| O | C20 | C3 | H20A | 119.2° | 120.1° |
| O | C20 | C3 | N | 174.1° | 63.6° |
| O | C20 | C3 | H3A | 65.3° | 56.4° |
| O | C20 | C3 | H3B | 53.4° | 176.4° |
| O | C20 | H20B | H20A | 122.2° | 120.0° |
| C20 | C3 | N | H3A | 120.6° | 120.0° |
| C20 | C3 | N | H3B | 120.6° | 120.0° |
| C20 | C3 | N | C2 | 57.6° | 164.0° |
| C20 | C3 | N | C1C | 179.0° | 72.2° |
| C20 | C3 | H3A | H3B | 118.0° | 120.0° |
| C3 | C20 | H20B | H20A | 122.3° | 120.0° |
| C3 | N | C2 | C1C | 121.3° | 123.8° |
| C3 | N | C2 | C1J | 179.7° | 176.8° |
| C3 | N | C1C | C1A | 179.3° | 176.8° |
| C3 | N | C2 | H2B | 59.9° | 56.9° |
| C3 | N | C2 | H2A | 60.6° | 63.2° |
| N | C3 | H3A | H3B | 118.0° | 120.0° |
| N | C3 | C20 | H20B | 54.8° | 56.4° |
| N | C3 | C20 | H20A | 66.7° | 176.4° |
| C3 | N | C1C | H1CA | 60.2° | 63.2° |
| C3 | N | C1C | H1CB | 58.9° | 56.9° |
| N | C2 | C1J | H2B | 119.8° | 120.0° |
| N | C2 | C1J | H2A | 119.7° | 120.0° |
| N | C2 | C1J | N6 | 63.1° | 58.4° |
| C2 | N | C1C | C1A | 57.4° | 59.3° |
| N | C2 | H2B | H2A | 120.8° | 120.1° |
| C2 | N | C3 | H3A | 63.0° | 44.1° |
| C2 | N | C3 | H3B | 178.2° | 75.9° |
| C2 | N | C1C | H1CA | 63.0° | 60.6° |
| C2 | N | C1C | H1CB | 177.8° | 179.3° |
| N | C2 | C1J | H1JB | 57.0° | 61.6° |
| N | C2 | C1J | H1JA | 176.9° | 178.4° |
| C1J | C2 | N | C1C | 59.0° | 59.3° |
| C2 | C1J | N6 | H1JB | 120.0° | 120.0° |
| C2 | C1J | N6 | H1JA | 120.0° | 120.0° |
| C2 | C1J | N6 | C1A | 62.4° | 59.3° |
| C2 | C1J | N6 | C1 | 178.3° | 176.8° |
| C1J | C2 | H2B | H2A | 120.8° | 120.0° |
| C2 | C1J | H1JB | H1JA | 119.9° | 120.1° |
| N | C1C | C1A | H1CA | 120.4° | 120.0° |
| N | C1C | C1A | H1CB | 120.4° | 120.0° |
| N | C1C | C1A | N6 | 56.6° | 58.4° |
| C1C | N | C2 | H2B | 178.7° | 179.3° |
| C1C | N | C2 | H2A | 60.7° | 60.6° |
| C1C | N | C3 | H3A | 58.4° | 167.9° |
| C1C | N | C3 | H3B | 60.4° | 47.8° |
| N | C1C | C1A | H1AA | 176.7° | 178.4° |
| N | C1C | C1A | H1AB | 63.4° | 61.6° |
| N | C1C | H1CA | H1CB | 118.6° | 120.1° |
| C1J | N6 | C1A | C1C | 58.2° | 59.3° |
| C1J | N6 | C1A | C1 | 119.8° | 123.8° |
| C1J | N6 | C1 | H1C | 180.0° | 60.0° |
| C1J | N6 | C1 | H1A | 60.0° | 180.0° |
| C1J | N6 | C1 | H1B | 60.0° | 60.0° |
| N6 | C1J | C2 | H2B | 177.1° | 178.4° |
| N6 | C1J | C2 | H2A | 56.6° | 61.6° |
| C1J | N6 | C1A | H1AA | 178.2° | 179.3° |
| C1J | N6 | C1A | H1AB | 61.9° | 60.7° |
| N6 | C1J | H1JB | H1JA | 119.9° | 120.1° |
| C1C | C1A | N6 | H1AA | 120.1° | 119.9° |
| C1C | C1A | N6 | H1AB | 120.1° | 120.0° |
| C1C | C1A | N6 | C1 | 177.9° | 176.8° |
| C1C | C1A | H1AA | H1AB | 119.8° | 120.0° |
| C1A | C1C | H1CA | H1CB | 118.6° | 120.0° |
| C1A | N6 | C1 | H1C | 61.0° | 176.2° |
| C1A | N6 | C1 | H1A | 59.1° | 56.3° |
| C1A | N6 | C1 | H1B | 179.0° | 63.8° |
| N6 | C1A | H1AA | H1AB | 119.8° | 120.1° |
| N6 | C1A | C1C | H1CA | 63.8° | 61.6° |
| N6 | C1A | C1C | H1CB | 177.1° | 178.4° |
| C1A | N6 | C1J | H1JB | 57.6° | 60.6° |
| C1A | N6 | C1J | H1JA | 177.5° | 179.3° |
| N6 | C1 | H1C | H1A | 120.0° | 120.0° |
| N6 | C1 | H1C | H1B | 120.0° | 120.0° |
| N6 | C1 | H1A | H1B | 120.0° | 120.1° |
| C1 | N6 | C1A | H1AA | 62.0° | 56.9° |
| C1 | N6 | C1A | H1AB | 57.8° | 63.2° |
| C1 | N6 | C1J | H1JB | 61.7° | 63.2° |
| C1 | N6 | C1J | H1JA | 58.3° | 56.9° |
| H1C | C1 | H1A | H1B | 119.9° | 120.0° |
| H2B | C2 | C1J | H1JB | 62.8° | 58.4° |
| H2B | C2 | C1J | H1JA | 57.1° | 61.7° |
| H2A | C2 | C1J | H1JB | 176.7° | 178.4° |
| H2A | C2 | C1J | H1JA | 63.4° | 58.4° |
| H3A | C3 | C20 | H20B | 175.5° | 176.4° |
| H3A | C3 | C20 | H20A | 53.9° | 63.7° |
| H3B | C3 | C20 | H20B | 65.8° | 63.6° |
| H3B | C3 | C20 | H20A | 172.6° | 56.3° |
| H11 | C11 | C7 | H7 | 0.5° | 0.3° |
| H17 | C17 | C1K | H1K | 1.1° | 0.3° |
| H18 | C18 | C1F | H1F | 3.0° | 0.0° |
| H19A | C19 | C1E | H1EB | 173.2° | 60.0° |
| H19A | C19 | C1E | H1EA | 53.8° | 180.0° |
| H19B | C19 | C1E | H1EB | 67.3° | 180.0° |
| H19B | C19 | C1E | H1EA | 173.3° | 60.0° |
| H1AA | C1A | C1C | H1CA | 56.3° | 58.4° |
| H1AA | C1A | C1C | H1CB | 62.8° | 61.6° |
| H1AB | C1A | C1C | H1CA | 176.2° | 178.4° |
| H1AB | C1A | C1C | H1CB | 57.0° | 58.4° |
| H1BB | C1B | C1I | H1IB | 23.1° | 176.2° |
| H1BB | C1B | C1I | H1IA | 95.9° | 63.5° |
| H1BA | C1B | C1I | H1IB | 143.3° | 63.0° |
| H1BA | C1B | C1I | H1IA | 24.3° | 57.3° |
| H1EB | C1E | C1H | H1HA | 59.7° | 59.9° |
| H1EB | C1E | C1H | H1HC | 60.3° | 180.0° |
| H1EB | C1E | C1H | H1HB | 179.7° | 60.0° |
| H1EA | C1E | C1H | H1HA | 59.7° | 60.0° |
| H1EA | C1E | C1H | H1HC | 179.7° | 60.0° |
| H1EA | C1E | C1H | H1HB | 60.3° | 180.0° |
| H1F | C1F | C1K | H1K | 2.9° | 0.5° |
| H1GA | C1G | C1I | H1IB | 60.0° | 171.3° |
| H1GA | C1G | C1I | H1IA | 59.0° | 50.9° |
| H1GB | C1G | C1I | H1IB | 179.0° | 51.9° |
| H1GB | C1G | C1I | H1IA | 62.0° | 68.5° |
| H1HA | C1H | H1HC | H1HB | 120.0° | 119.9° |
