AWB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.53Å | |
| N | C10 | sing | 1.46Å | 1.45Å | |
| N | C14 | sing | 1.35Å | 1.31Å | |
| O | C8 | sing | 1.44Å | 1.41Å | |
| O | C9 | sing | 1.31Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| N1 | C17 | sing | 1.40Å | 1.36Å | |
| N1 | C21 | sing | 1.35Å | 1.33Å | |
| O1 | C9 | doub | 1.21Å | 1.24Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O2 | C11 | sing | 1.46Å | 1.43Å | |
| O2 | C12 | sing | 1.35Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| O3 | C12 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| O4 | C14 | doub | 1.22Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| O5 | C21 | doub | 1.21Å | 1.25Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| C6 | C12 | sing | 1.52Å | 1.50Å | |
| O6 | C16 | sing | 1.36Å | 1.34Å | |
| C7 | O7 | sing | 1.45Å | 1.43Å | |
| C7 | C8 | sing | 1.54Å | 1.52Å | |
| O7 | C23 | sing | 1.34Å | 1.45Å | |
| C8 | C22 | sing | 1.53Å | 1.53Å | |
| O8 | C23 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.49Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.48Å | 1.48Å | |
| C15 | C16 | doub | 1.40Å | 1.48Å | Aromatic |
| C15 | C20 | sing | 1.40Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.45Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.52Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HA | sing | 1.09Å | 1.10Å | |
| C | HB | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 113.5° | 109.5° |
| C1 | C | H | 109.5° | 109.4° |
| C1 | C | HA | 109.4° | 109.5° |
| C1 | C | HB | 109.5° | 109.5° |
| C | C1 | H1 | 108.5° | 109.5° |
| C | C1 | H1A | 108.5° | 109.5° |
| C10 | N | C14 | 123.7° | 120.0° |
| N | C10 | C9 | 105.5° | 109.2° |
| N | C10 | C11 | 115.4° | 109.2° |
| C10 | N | HN | 118.1° | 120.1° |
| N | C10 | H10 | 108.9° | 109.2° |
| N | C14 | O4 | 123.1° | 120.0° |
| N | C14 | C15 | 116.1° | 120.1° |
| C14 | N | HN | 118.1° | 119.9° |
| C8 | O | C9 | 112.8° | 124.8° |
| O | C8 | C7 | 106.9° | 109.7° |
| O | C8 | C22 | 106.6° | 109.4° |
| O | C8 | H8 | 111.2° | 109.5° |
| O | C9 | O1 | 123.0° | 116.1° |
| O | C9 | C10 | 113.3° | 127.9° |
| C1 | C2 | C3 | 111.6° | 109.5° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C2 | C1 | H1A | 108.5° | 109.5° |
| C1 | C2 | H2 | 108.9° | 109.5° |
| C1 | C2 | H2A | 108.9° | 109.5° |
| C17 | N1 | C21 | 127.8° | 120.0° |
| N1 | C17 | C16 | 124.3° | 120.0° |
| N1 | C17 | C18 | 117.5° | 120.0° |
| C17 | N1 | HN1 | 116.1° | 120.0° |
| N1 | C21 | O5 | 119.8° | 120.0° |
| C21 | N1 | HN1 | 116.1° | 120.0° |
| N1 | C21 | H21 | 120.1° | 120.0° |
| O1 | C9 | C10 | 123.7° | 116.0° |
| C2 | C3 | C4 | 112.9° | 109.4° |
| C3 | C2 | H2 | 108.9° | 109.4° |
| C3 | C2 | H2A | 108.9° | 109.4° |
| C2 | C3 | H3 | 108.6° | 109.5° |
| C2 | C3 | H3A | 108.6° | 109.4° |
| C11 | O2 | C12 | 119.9° | 114.7° |
| O2 | C11 | C10 | 113.0° | 107.7° |
| O2 | C11 | C13 | 106.1° | 109.8° |
| O2 | C11 | H11 | 108.6° | 109.8° |
| O2 | C12 | O3 | 123.0° | 121.1° |
| O2 | C12 | C6 | 116.2° | 118.0° |
| C3 | C4 | C5 | 110.5° | 109.4° |
| C4 | C3 | H3 | 108.6° | 109.5° |
| C4 | C3 | H3A | 108.6° | 109.5° |
| C3 | C4 | H4 | 109.2° | 109.5° |
| C3 | C4 | H4A | 109.2° | 109.5° |
| O3 | C12 | C6 | 120.9° | 121.0° |
| C4 | C5 | C6 | 115.5° | 109.4° |
| C5 | C4 | H4 | 109.2° | 109.5° |
| C5 | C4 | H4A | 109.2° | 109.4° |
| C4 | C5 | H5 | 108.0° | 109.5° |
| C4 | C5 | H5A | 107.9° | 109.5° |
| O4 | C14 | C15 | 120.9° | 120.0° |
| C5 | C6 | C7 | 108.8° | 110.3° |
| C5 | C6 | C12 | 113.4° | 110.4° |
| C6 | C5 | H5 | 107.9° | 109.5° |
| C6 | C5 | H5A | 107.9° | 109.5° |
| C5 | C6 | H6 | 108.4° | 110.4° |
| O5 | C21 | H21 | 120.1° | 120.1° |
| C7 | C6 | C12 | 108.8° | 104.7° |
| C6 | C7 | O7 | 109.2° | 110.1° |
| C6 | C7 | C8 | 115.9° | 106.5° |
| C7 | C6 | H6 | 108.5° | 110.4° |
| C6 | C7 | H7 | 107.8° | 110.1° |
| C12 | C6 | H6 | 108.9° | 110.6° |
| O6 | C16 | C15 | 119.8° | 120.1° |
| O6 | C16 | C17 | 121.0° | 120.2° |
| C16 | O6 | HO6 | 109.5° | 114.0° |
| O7 | C7 | C8 | 106.6° | 110.1° |
| C7 | O7 | C23 | 114.7° | 117.0° |
| O7 | C7 | H7 | 109.2° | 110.0° |
| C7 | C8 | C22 | 112.7° | 109.4° |
| C8 | C7 | H7 | 107.9° | 110.1° |
| C7 | C8 | H8 | 109.7° | 109.5° |
| O7 | C23 | O8 | 119.5° | 120.0° |
| O7 | C23 | C24 | 117.0° | 120.0° |
| C22 | C8 | H8 | 109.6° | 109.4° |
| C8 | C22 | H22 | 109.5° | 109.5° |
| C8 | C22 | H22A | 109.5° | 109.5° |
| C8 | C22 | H22B | 109.5° | 109.5° |
| O8 | C23 | C24 | 123.5° | 120.0° |
| C9 | C10 | C11 | 110.5° | 110.8° |
| C9 | C10 | H10 | 108.3° | 109.2° |
| C10 | C11 | C13 | 113.8° | 109.9° |
| C11 | C10 | H10 | 108.0° | 109.2° |
| C10 | C11 | H11 | 107.6° | 109.8° |
| C13 | C11 | H11 | 107.6° | 109.9° |
| C11 | C13 | H13 | 109.5° | 109.5° |
| C11 | C13 | H13A | 109.5° | 109.5° |
| C11 | C13 | H13B | 109.4° | 109.4° |
| C14 | C15 | C16 | 121.2° | 120.2° |
| C14 | C15 | C20 | 120.4° | 120.1° |
| C16 | C15 | C20 | 118.4° | 119.7° |
| C15 | C16 | C17 | 119.2° | 119.7° |
| C15 | C20 | C19 | 121.9° | 120.0° |
| C15 | C20 | H20 | 119.0° | 120.0° |
| C16 | C17 | C18 | 117.5° | 119.9° |
| C17 | C18 | C19 | 122.3° | 120.3° |
| C17 | C18 | H18 | 118.9° | 119.8° |
| C18 | C19 | C20 | 120.6° | 120.4° |
| C19 | C18 | H18 | 118.9° | 119.9° |
| C18 | C19 | H19 | 119.7° | 119.8° |
| C20 | C19 | H19 | 119.7° | 119.8° |
| C19 | C20 | H20 | 119.0° | 120.0° |
| C23 | C24 | C25 | 109.1° | 109.5° |
| C23 | C24 | H24 | 109.5° | 109.5° |
| C23 | C24 | H24A | 109.5° | 109.5° |
| C24 | C25 | C26 | 117.1° | 109.4° |
| C24 | C25 | C27 | 110.8° | 109.5° |
| C25 | C24 | H24 | 109.6° | 109.5° |
| C25 | C24 | H24A | 109.6° | 109.4° |
| C24 | C25 | H25 | 107.1° | 109.5° |
| C26 | C25 | C27 | 106.8° | 109.5° |
| C26 | C25 | H25 | 107.2° | 109.5° |
| C25 | C26 | H26 | 109.5° | 109.5° |
| C25 | C26 | H26A | 109.5° | 109.4° |
| C25 | C26 | H26B | 109.5° | 109.5° |
| C27 | C25 | H25 | 107.4° | 109.5° |
| C25 | C27 | H27 | 109.5° | 109.5° |
| C25 | C27 | H27A | 109.5° | 109.5° |
| C25 | C27 | H27B | 109.5° | 109.5° |
| H | C | HA | 109.5° | 109.5° |
| H | C | HB | 109.5° | 109.4° |
| HA | C | HB | 109.5° | 109.5° |
| H1 | C1 | H1A | 109.4° | 109.4° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H5 | C5 | H5A | 109.5° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.4° | 109.4° |
| H22 | C22 | H22B | 109.5° | 109.4° |
| H22A | C22 | H22B | 109.4° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.4° |
| H26 | C26 | H26A | 109.5° | 109.4° |
| H26 | C26 | H26B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.5° | 109.4° |
| H27A | C27 | H27B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | H1 | 120.6° | 120.0° |
| C | C1 | C2 | H1A | 120.6° | 120.0° |
| C | C1 | C2 | C3 | 152.0° | 180.0° |
| C1 | C | H | HA | 120.0° | 120.0° |
| C1 | C | H | HB | 120.0° | 119.9° |
| C1 | C | HA | HB | 120.0° | 120.0° |
| C | C1 | H1 | H1A | 118.2° | 120.0° |
| C | C1 | C2 | H2 | 31.6° | 60.1° |
| C | C1 | C2 | H2A | 87.7° | 60.0° |
| C10 | N | C14 | HN | 180.0° | 180.0° |
| N | C10 | C9 | O | 145.2° | 29.6° |
| N | C10 | C9 | O1 | 35.2° | 150.4° |
| N | C10 | C11 | O2 | 146.4° | 60.0° |
| C10 | N | C14 | O4 | 6.1° | 0.0° |
| N | C10 | C9 | C11 | 125.4° | 120.3° |
| N | C10 | C9 | H10 | 116.4° | 119.3° |
| N | C10 | C11 | H10 | 122.1° | 119.4° |
| N | C10 | C11 | C13 | 25.4° | 59.6° |
| C10 | N | C14 | C15 | 175.8° | 180.0° |
| N | C10 | C11 | H11 | 93.7° | 179.5° |
| N | C14 | O4 | C15 | 178.0° | 180.0° |
| C14 | N | C10 | C9 | 98.3° | 113.3° |
| C14 | N | C10 | C11 | 139.4° | 125.3° |
| N | C14 | C15 | C16 | 5.5° | 180.0° |
| N | C14 | C15 | C20 | 175.9° | 0.2° |
| C14 | N | C10 | H10 | 17.8° | 6.0° |
| C8 | O | C9 | O1 | 35.4° | 177.9° |
| O | C8 | C7 | C6 | 68.8° | 122.6° |
| O | C8 | C7 | O7 | 169.4° | 118.1° |
| O | C8 | C7 | C22 | 116.8° | 120.0° |
| O | C8 | C7 | H8 | 120.8° | 120.1° |
| O | C8 | C22 | H8 | 120.5° | 119.9° |
| C8 | O | C9 | C10 | 144.2° | 2.1° |
| O | C8 | C7 | H7 | 52.2° | 3.3° |
| O | C8 | C22 | H22 | 180.0° | 59.9° |
| O | C8 | C22 | H22A | 60.0° | 180.0° |
| O | C8 | C22 | H22B | 60.0° | 60.0° |
| O | C9 | O1 | C10 | 179.6° | 179.9° |
| C9 | O | C8 | C7 | 130.1° | 102.0° |
| C9 | O | C8 | C22 | 109.1° | 138.0° |
| O | C9 | C10 | C11 | 89.4° | 90.8° |
| C9 | O | C8 | H8 | 10.3° | 18.1° |
| O | C9 | C10 | H10 | 28.8° | 148.9° |
| C1 | C2 | C3 | H2 | 120.3° | 120.0° |
| C1 | C2 | C3 | H2A | 120.3° | 120.0° |
| C1 | C2 | C3 | C4 | 137.8° | 180.0° |
| C2 | C1 | C | H | 180.0° | 60.0° |
| C2 | C1 | C | HA | 60.0° | 180.0° |
| C2 | C1 | C | HB | 60.0° | 59.9° |
| C2 | C1 | H1 | H1A | 118.2° | 120.0° |
| C1 | C2 | H2 | H2A | 119.0° | 120.1° |
| C1 | C2 | C3 | H3 | 17.3° | 60.0° |
| C1 | C2 | C3 | H3A | 101.7° | 60.0° |
| C17 | N1 | C21 | HN1 | 180.0° | 180.0° |
| C17 | N1 | C21 | O5 | 153.1° | 4.0° |
| N1 | C17 | C16 | O6 | 7.9° | 0.0° |
| N1 | C17 | C16 | C15 | 173.8° | 180.0° |
| N1 | C17 | C16 | C18 | 169.7° | 180.0° |
| N1 | C17 | C18 | C19 | 175.0° | 179.9° |
| N1 | C17 | C18 | H18 | 4.9° | 0.0° |
| C17 | N1 | C21 | H21 | 26.9° | 176.0° |
| N1 | C21 | O5 | H21 | 180.0° | 180.0° |
| C21 | N1 | C17 | C16 | 24.9° | 154.4° |
| C21 | N1 | C17 | C18 | 144.8° | 25.6° |
| O1 | C9 | C10 | C11 | 90.2° | 89.3° |
| O1 | C9 | C10 | H10 | 151.6° | 31.0° |
| C2 | C3 | C4 | H3 | 120.5° | 120.0° |
| C2 | C3 | C4 | H3A | 120.5° | 119.9° |
| C2 | C3 | C4 | C5 | 70.0° | NaN° |
| C3 | C2 | C1 | H1 | 87.4° | 60.0° |
| C3 | C2 | C1 | H1A | 31.3° | 60.0° |
| C3 | C2 | H2 | H2A | 119.0° | 120.0° |
| C2 | C3 | H3 | H3A | 118.4° | 120.0° |
| C2 | C3 | C4 | H4 | 50.1° | 60.0° |
| C2 | C3 | C4 | H4A | 169.8° | 60.1° |
| C11 | O2 | C12 | O3 | 22.7° | 26.4° |
| C11 | O2 | C12 | C6 | 155.9° | 153.6° |
| O2 | C11 | C10 | C9 | 26.9° | 60.3° |
| O2 | C11 | C10 | C13 | 121.1° | 119.6° |
| O2 | C11 | C10 | H11 | 119.9° | 119.5° |
| O2 | C11 | C13 | H11 | 116.1° | 120.9° |
| O2 | C11 | C10 | H10 | 91.5° | 179.3° |
| O2 | C11 | C13 | H13 | 180.0° | 60.0° |
| O2 | C11 | C13 | H13A | 60.0° | 180.0° |
| O2 | C11 | C13 | H13B | 60.0° | 60.0° |
| O2 | C12 | O3 | C6 | 178.5° | 180.0° |
| O2 | C12 | C6 | C5 | 134.9° | 65.7° |
| O2 | C12 | C6 | C7 | 104.0° | 53.0° |
| C12 | O2 | C11 | C10 | 61.8° | 56.2° |
| C12 | O2 | C11 | C13 | 172.9° | 63.4° |
| O2 | C12 | C6 | H6 | 14.1° | 171.8° |
| C12 | O2 | C11 | H11 | 57.5° | 175.7° |
| C3 | C4 | C5 | H4 | 120.1° | 120.0° |
| C3 | C4 | C5 | H4A | 120.2° | 119.9° |
| C3 | C4 | C5 | C6 | 101.8° | 180.0° |
| C4 | C3 | C2 | H2 | 101.9° | 60.0° |
| C4 | C3 | C2 | H2A | 17.5° | 60.0° |
| C4 | C3 | H3 | H3A | 118.4° | 120.0° |
| C3 | C4 | H4 | H4A | 119.5° | 120.0° |
| C3 | C4 | C5 | H5 | 137.3° | 60.0° |
| C3 | C4 | C5 | H5A | 19.1° | 60.0° |
| O3 | C12 | C6 | C5 | 46.5° | 114.3° |
| O3 | C12 | C6 | C7 | 74.6° | 127.0° |
| O3 | C12 | C6 | H6 | 167.3° | 8.1° |
| C4 | C5 | C6 | H5 | 120.9° | 120.0° |
| C4 | C5 | C6 | H5A | 120.9° | 120.0° |
| C4 | C5 | C6 | C7 | 166.0° | 175.0° |
| C4 | C5 | C6 | C12 | 44.8° | 69.8° |
| C5 | C4 | C3 | H3 | 169.4° | 60.0° |
| C5 | C4 | C3 | H3A | 50.5° | 60.1° |
| C5 | C4 | H4 | H4A | 119.6° | 120.0° |
| C4 | C5 | H5 | H5A | 117.3° | 120.0° |
| C4 | C5 | C6 | H6 | 76.2° | 52.7° |
| O4 | C14 | C15 | C16 | 172.7° | 0.0° |
| O4 | C14 | C15 | C20 | 5.9° | 179.8° |
| O4 | C14 | N | HN | 173.9° | 180.0° |
| C5 | C6 | C7 | C12 | 123.9° | 118.7° |
| C5 | C6 | C7 | H6 | 117.8° | 122.3° |
| C5 | C6 | C12 | H6 | 120.8° | 122.4° |
| C5 | C6 | C7 | O7 | 62.7° | 69.0° |
| C5 | C6 | C7 | C8 | 176.9° | 171.7° |
| C6 | C5 | C4 | H4 | 18.4° | 60.0° |
| C6 | C5 | C4 | H4A | 138.1° | 60.1° |
| C6 | C5 | H5 | H5A | 117.2° | 120.0° |
| C5 | C6 | C7 | H7 | 55.8° | 52.4° |
| O5 | C21 | N1 | HN1 | 26.9° | 176.0° |
| C7 | C6 | C12 | H6 | 118.1° | 118.9° |
| C6 | C7 | O7 | C8 | 126.0° | 117.1° |
| C6 | C7 | O7 | H7 | 117.7° | 121.5° |
| C6 | C7 | C8 | H7 | 121.1° | 119.3° |
| C6 | C7 | O7 | C23 | 105.8° | 150.0° |
| C6 | C7 | C8 | C22 | 174.4° | 117.3° |
| C7 | C6 | C5 | H5 | 45.1° | 65.0° |
| C7 | C6 | C5 | H5A | 73.2° | 55.0° |
| C6 | C7 | C8 | H8 | 51.9° | 2.5° |
| C12 | C6 | C7 | O7 | 173.4° | 172.2° |
| C12 | C6 | C7 | C8 | 53.0° | 53.0° |
| C12 | C6 | C5 | H5 | 76.1° | 50.2° |
| C12 | C6 | C5 | H5A | 165.7° | 170.2° |
| C12 | C6 | C7 | H7 | 68.1° | 66.3° |
| O6 | C16 | C15 | C14 | 1.0° | 0.0° |
| O6 | C16 | C15 | C17 | 178.4° | 180.0° |
| O6 | C16 | C15 | C20 | 179.6° | 179.8° |
| O6 | C16 | C17 | C18 | 177.5° | 180.0° |
| O7 | C7 | C8 | H7 | 117.2° | 121.4° |
| O7 | C7 | C8 | C22 | 52.6° | 1.9° |
| C7 | O7 | C23 | O8 | 31.7° | 0.0° |
| C7 | O7 | C23 | C24 | 148.9° | 180.0° |
| O7 | C7 | C6 | H6 | 55.1° | 53.3° |
| O7 | C7 | C8 | H8 | 69.8° | 121.8° |
| C8 | C7 | O7 | C23 | 128.3° | 92.9° |
| C7 | C8 | C22 | H8 | 122.5° | 119.9° |
| C8 | C7 | C6 | H6 | 65.3° | 66.0° |
| C7 | C8 | C22 | H22 | 63.0° | 60.3° |
| C7 | C8 | C22 | H22A | 177.0° | 59.7° |
| C7 | C8 | C22 | H22B | 57.0° | 179.8° |
| O7 | C23 | O8 | C24 | 179.3° | 180.0° |
| O7 | C23 | C24 | C25 | 97.6° | 180.0° |
| C23 | O7 | C7 | H7 | 11.9° | 28.6° |
| O7 | C23 | C24 | H24 | 142.5° | 60.0° |
| O7 | C23 | C24 | H24A | 22.4° | 60.0° |
| C22 | C8 | C7 | H7 | 64.6° | 123.3° |
| C8 | C22 | H22 | H22A | 120.0° | 120.1° |
| C8 | C22 | H22 | H22B | 120.0° | 120.0° |
| C8 | C22 | H22A | H22B | 120.0° | 120.0° |
| O8 | C23 | C24 | C25 | 81.8° | 0.0° |
| O8 | C23 | C24 | H24 | 38.2° | 120.0° |
| O8 | C23 | C24 | H24A | 158.3° | 120.0° |
| C9 | C10 | C11 | H10 | 118.3° | 120.3° |
| C9 | C10 | C11 | C13 | 94.2° | 179.9° |
| C9 | C10 | N | HN | 81.7° | 66.7° |
| C9 | C10 | C11 | H11 | 146.7° | 59.2° |
| C10 | C11 | C13 | H11 | 119.1° | 120.9° |
| C11 | C10 | N | HN | 40.6° | 54.6° |
| C10 | C11 | C13 | H13 | 55.1° | 178.2° |
| C10 | C11 | C13 | H13A | 64.9° | 61.8° |
| C10 | C11 | C13 | H13B | 175.2° | 58.2° |
| C13 | C11 | C10 | H10 | 147.5° | 59.8° |
| C11 | C13 | H13 | H13A | 120.0° | 120.0° |
| C11 | C13 | H13 | H13B | 120.0° | 120.0° |
| C11 | C13 | H13A | H13B | 119.9° | 119.9° |
| C14 | C15 | C16 | C20 | 178.6° | 179.8° |
| C14 | C15 | C16 | C17 | 177.5° | 180.0° |
| C14 | C15 | C20 | C19 | 179.9° | 179.8° |
| C15 | C14 | N | HN | 4.2° | 0.0° |
| C14 | C15 | C20 | H20 | 0.1° | 0.1° |
| C15 | C16 | C17 | C18 | 4.1° | 0.0° |
| C16 | C15 | C20 | C19 | 1.4° | 0.5° |
| C15 | C16 | O6 | HO6 | 180.0° | 90.0° |
| C16 | C15 | C20 | H20 | 178.6° | 179.7° |
| C20 | C15 | C16 | C17 | 1.2° | 0.2° |
| C15 | C20 | C19 | C18 | 1.0° | 0.5° |
| C15 | C20 | C19 | H20 | 180.0° | 179.8° |
| C15 | C20 | C19 | H19 | 179.0° | 179.8° |
| C16 | C17 | C18 | C19 | 4.7° | 0.0° |
| C16 | C17 | N1 | HN1 | 155.1° | 25.6° |
| C17 | C16 | O6 | HO6 | 1.6° | 90.0° |
| C16 | C17 | C18 | H18 | 175.3° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 2.2° | 0.3° |
| C18 | C17 | N1 | HN1 | 35.2° | 154.4° |
| C17 | C18 | C19 | H19 | 177.8° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.7° |
| C18 | C19 | C20 | H20 | 179.0° | 179.6° |
| C20 | C19 | C18 | H18 | 177.8° | 179.8° |
| C23 | C24 | C25 | H24 | 119.9° | 120.0° |
| C23 | C24 | C25 | H24A | 119.9° | 120.0° |
| C23 | C24 | C25 | C26 | 32.7° | 65.0° |
| C23 | C24 | C25 | C27 | 90.1° | 175.0° |
| C23 | C24 | H24 | H24A | 120.1° | 120.0° |
| C23 | C24 | C25 | H25 | 153.1° | 55.0° |
| C24 | C25 | C26 | C27 | 124.8° | 120.0° |
| C24 | C25 | C26 | H25 | 120.3° | 120.0° |
| C24 | C25 | C27 | H25 | 116.7° | 120.0° |
| C25 | C24 | H24 | H24A | 120.2° | 119.9° |
| C24 | C25 | C26 | H26 | 180.0° | 60.0° |
| C24 | C25 | C26 | H26A | 60.0° | 180.0° |
| C24 | C25 | C26 | H26B | 60.0° | 60.1° |
| C24 | C25 | C27 | H27 | 180.0° | 60.0° |
| C24 | C25 | C27 | H27A | 60.0° | 180.0° |
| C24 | C25 | C27 | H27B | 60.0° | 59.9° |
| C26 | C25 | C27 | H25 | 114.8° | 120.0° |
| C26 | C25 | C24 | H24 | 152.6° | 55.0° |
| C26 | C25 | C24 | H24A | 87.2° | 175.0° |
| C25 | C26 | H26 | H26A | 120.0° | 119.9° |
| C25 | C26 | H26 | H26B | 120.0° | 120.1° |
| C25 | C26 | H26A | H26B | 120.0° | 120.0° |
| C26 | C25 | C27 | H27 | 51.5° | 179.9° |
| C26 | C25 | C27 | H27A | 68.5° | 60.0° |
| C26 | C25 | C27 | H27B | 171.5° | 60.0° |
| C27 | C25 | C24 | H24 | 29.9° | 64.9° |
| C27 | C25 | C24 | H24A | 150.0° | 55.0° |
| C27 | C25 | C26 | H26 | 55.2° | 59.9° |
| C27 | C25 | C26 | H26A | 175.2° | 60.0° |
| C27 | C25 | C26 | H26B | 64.8° | 180.0° |
| C25 | C27 | H27 | H27A | 120.0° | 120.1° |
| C25 | C27 | H27 | H27B | 120.0° | 120.0° |
| C25 | C27 | H27A | H27B | 120.0° | 120.0° |
| H | C | HA | HB | 120.0° | 120.0° |
| H | C | C1 | H1 | 59.4° | 180.0° |
| H | C | C1 | H1A | 59.4° | 60.1° |
| HA | C | C1 | H1 | 60.6° | 60.0° |
| HA | C | C1 | H1A | 179.4° | 59.9° |
| HB | C | C1 | H1 | 179.4° | 60.1° |
| HB | C | C1 | H1A | 60.6° | NaN° |
| HN | N | C10 | H10 | 162.3° | 174.0° |
| H1 | C1 | C2 | H2 | 152.2° | 179.9° |
| H1 | C1 | C2 | H2A | 32.9° | 60.0° |
| H1A | C1 | C2 | H2 | 89.0° | 60.0° |
| H1A | C1 | C2 | H2A | 151.7° | 180.0° |
| HN1 | N1 | C21 | H21 | 153.1° | 4.0° |
| H2 | C2 | C3 | H3 | 137.6° | 180.0° |
| H2 | C2 | C3 | H3A | 18.6° | 59.9° |
| H2A | C2 | C3 | H3 | 103.0° | 60.0° |
| H2A | C2 | C3 | H3A | 138.0° | 180.0° |
| H3 | C3 | C4 | H4 | 70.4° | 180.0° |
| H3 | C3 | C4 | H4A | 49.3° | 60.0° |
| H3A | C3 | C4 | H4 | 170.7° | 59.9° |
| H3A | C3 | C4 | H4A | 69.7° | 180.0° |
| H4 | C4 | C5 | H5 | 102.5° | 180.0° |
| H4 | C4 | C5 | H5A | 139.2° | 60.0° |
| H4A | C4 | C5 | H5 | 17.2° | 59.9° |
| H4A | C4 | C5 | H5A | 101.1° | 180.0° |
| H5 | C5 | C6 | H6 | 162.9° | 172.7° |
| H5A | C5 | C6 | H6 | 44.7° | 67.3° |
| H6 | C6 | C7 | H7 | 173.6° | 174.7° |
| H7 | C7 | C8 | H8 | 173.0° | 116.8° |
| H8 | C8 | C22 | H22 | 59.5° | 179.9° |
| H8 | C8 | C22 | H22A | 60.5° | 60.1° |
| H8 | C8 | C22 | H22B | 179.6° | 59.9° |
| H10 | C10 | C11 | H11 | 28.4° | 61.2° |
| H11 | C11 | C13 | H13 | 63.9° | 60.9° |
| H11 | C11 | C13 | H13A | 176.1° | 59.1° |
| H11 | C11 | C13 | H13B | 56.1° | 179.1° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
| H18 | C18 | C19 | H19 | 2.2° | 0.0° |
| H19 | C19 | C20 | H20 | 1.0° | 0.1° |
| H22 | C22 | H22A | H22B | 120.0° | 119.9° |
| H24 | C24 | C25 | H25 | 87.0° | 175.0° |
| H24A | C24 | C25 | H25 | 33.2° | 65.0° |
| H25 | C25 | C26 | H26 | 59.7° | 179.9° |
| H25 | C25 | C26 | H26A | 60.3° | 60.0° |
| H25 | C25 | C26 | H26B | 179.7° | 60.0° |
| H25 | C25 | C27 | H27 | 63.3° | 60.1° |
| H25 | C25 | C27 | H27A | 176.7° | 60.0° |
| H25 | C25 | C27 | H27B | 56.7° | 180.0° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| H27 | C27 | H27A | H27B | 120.0° | 119.9° |
