A1BEG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | N3 | sing | 1.40Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.31Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.49Å | |
| C6 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | N11 | sing | 1.47Å | 1.46Å | |
| N11 | C12 | sing | 1.35Å | 1.34Å | |
| C12 | C13 | sing | 1.48Å | 1.49Å | |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | N19 | sing | 1.40Å | 1.38Å | |
| N19 | C20 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | sing | 1.54Å | 1.52Å | |
| C21 | C22 | sing | 1.55Å | 1.54Å | |
| C22 | C23 | sing | 1.54Å | 1.54Å | |
| C23 | C24 | sing | 1.55Å | 1.54Å | |
| C24 | C25 | sing | 1.54Å | 1.51Å | |
| C24 | N26 | sing | 1.49Å | 1.51Å | |
| N26 | C27 | sing | 1.47Å | 1.49Å | |
| C18 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | O29 | doub | 1.21Å | 1.23Å | |
| C8 | C30 | doub | 1.41Å | 1.43Å | Aromatic |
| C30 | C31 | sing | 1.40Å | 1.42Å | Aromatic |
| C31 | C32 | doub | 1.36Å | 1.37Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.36Å | 1.37Å | Aromatic |
| C34 | C35 | sing | 1.41Å | 1.41Å | Aromatic |
| C35 | N36 | doub | 1.34Å | 1.37Å | Aromatic |
| C5 | C37 | doub | 1.37Å | 1.38Å | Aromatic |
| C37 | N2 | sing | 1.35Å | 1.34Å | Aromatic |
| N36 | C6 | sing | 1.32Å | 1.32Å | Aromatic |
| C28 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | N19 | sing | 1.50Å | 1.46Å | |
| N26 | C21 | sing | 1.49Å | 1.51Å | |
| C35 | C30 | sing | 1.42Å | 1.42Å | Aromatic |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15C | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10C | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27C | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N2 | N3 | 120.0° | 125.9° |
| C1 | N2 | C37 | 127.9° | 125.9° |
| N2 | C1 | H1C | 109.5° | 109.5° |
| N2 | C1 | H1B | 109.5° | 109.5° |
| N2 | C1 | H1A | 109.5° | 109.4° |
| N2 | N3 | C4 | 104.3° | 108.6° |
| N3 | N2 | C37 | 112.1° | 108.3° |
| N3 | C4 | C5 | 112.4° | 108.1° |
| N3 | C4 | H4 | 123.8° | 126.0° |
| C4 | C5 | C6 | 128.0° | 126.3° |
| C4 | C5 | C37 | 103.5° | 107.5° |
| C5 | C4 | H4 | 123.8° | 125.9° |
| C5 | C6 | C7 | 120.6° | 119.2° |
| C6 | C5 | C37 | 128.5° | 126.2° |
| C5 | C6 | N36 | 115.3° | 119.2° |
| C6 | C7 | C8 | 120.0° | 119.9° |
| C7 | C6 | N36 | 124.0° | 121.5° |
| C6 | C7 | H7 | 120.0° | 120.1° |
| C7 | C8 | C9 | 120.9° | 120.9° |
| C7 | C8 | C30 | 118.2° | 118.3° |
| C8 | C7 | H7 | 120.0° | 120.0° |
| C8 | C9 | C10 | 115.4° | 109.4° |
| C8 | C9 | N11 | 109.0° | 109.4° |
| C9 | C8 | C30 | 120.9° | 120.8° |
| C8 | C9 | H9 | 107.8° | 109.5° |
| C10 | C9 | N11 | 108.4° | 109.5° |
| C10 | C9 | H9 | 107.6° | 109.5° |
| C9 | C10 | H10C | 109.5° | 109.5° |
| C9 | C10 | H10B | 109.5° | 109.4° |
| C9 | C10 | H10A | 109.5° | 109.5° |
| C9 | N11 | C12 | 121.5° | 120.0° |
| N11 | C9 | H9 | 108.5° | 109.5° |
| C9 | N11 | H11 | 119.2° | 120.0° |
| N11 | C12 | C13 | 117.0° | 120.0° |
| N11 | C12 | O29 | 122.3° | 120.1° |
| C12 | N11 | H11 | 119.3° | 120.1° |
| C12 | C13 | C14 | 120.1° | 120.1° |
| C13 | C12 | O29 | 120.5° | 120.0° |
| C12 | C13 | C28 | 119.9° | 120.1° |
| C13 | C14 | C15 | 121.8° | 120.0° |
| C13 | C14 | C16 | 118.0° | 120.0° |
| C14 | C13 | C28 | 120.0° | 119.8° |
| C15 | C14 | C16 | 120.1° | 120.0° |
| C14 | C15 | H15B | 109.5° | 109.4° |
| C14 | C15 | H15A | 109.5° | 109.4° |
| C14 | C15 | H15C | 109.5° | 109.5° |
| C14 | C16 | C17 | 122.1° | 120.2° |
| C14 | C16 | H16 | 119.0° | 119.9° |
| C16 | C17 | C18 | 120.3° | 120.2° |
| C16 | C17 | H17 | 119.8° | 119.9° |
| C17 | C16 | H16 | 119.0° | 119.9° |
| C17 | C18 | N19 | 120.3° | 120.0° |
| C17 | C18 | C28 | 118.5° | 120.0° |
| C18 | C17 | H17 | 119.8° | 119.9° |
| C18 | N19 | C20 | 116.0° | 111.5° |
| N19 | C18 | C28 | 121.1° | 120.0° |
| C18 | N19 | C25 | 113.9° | 111.0° |
| N19 | C20 | C21 | 110.9° | 108.9° |
| C20 | N19 | C25 | 114.7° | 111.1° |
| N19 | C20 | H20A | 109.1° | 109.5° |
| N19 | C20 | H20B | 109.1° | 109.7° |
| C20 | C21 | C22 | 112.9° | 107.6° |
| C20 | C21 | N26 | 107.2° | 107.5° |
| C20 | C21 | H21 | 111.4° | 112.3° |
| C21 | C20 | H20A | 109.1° | 109.6° |
| C21 | C20 | H20B | 109.1° | 109.6° |
| C21 | C22 | C23 | 104.8° | 104.7° |
| C22 | C21 | N26 | 102.3° | 104.0° |
| C22 | C21 | H21 | 111.1° | 112.4° |
| C21 | C22 | H22A | 110.6° | 110.4° |
| C21 | C22 | H22B | 110.6° | 110.4° |
| C22 | C23 | C24 | 105.1° | 104.7° |
| C23 | C22 | H22A | 110.6° | 110.4° |
| C23 | C22 | H22B | 110.6° | 110.4° |
| C22 | C23 | H23A | 110.6° | 110.4° |
| C22 | C23 | H23B | 110.6° | 110.4° |
| C23 | C24 | C25 | 112.9° | 107.6° |
| C23 | C24 | N26 | 102.3° | 104.0° |
| C24 | C23 | H23A | 110.6° | 110.4° |
| C24 | C23 | H23B | 110.6° | 110.4° |
| C23 | C24 | H24 | 111.2° | 112.4° |
| C25 | C24 | N26 | 106.9° | 107.0° |
| C24 | C25 | N19 | 111.0° | 109.0° |
| C25 | C24 | H24 | 111.5° | 112.3° |
| C24 | C25 | H25A | 109.1° | 109.6° |
| C24 | C25 | H25B | 109.1° | 109.6° |
| C24 | N26 | C27 | 113.8° | 111.0° |
| C24 | N26 | C21 | 101.6° | 102.9° |
| N26 | C24 | H24 | 111.6° | 113.0° |
| C27 | N26 | C21 | 113.8° | 111.0° |
| N26 | C27 | H27B | 109.5° | 109.5° |
| N26 | C27 | H27A | 109.5° | 109.5° |
| N26 | C27 | H27C | 109.5° | 109.6° |
| C18 | C28 | C13 | 121.0° | 119.8° |
| C18 | C28 | H28 | 119.5° | 120.1° |
| C8 | C30 | C31 | 123.9° | 121.3° |
| C8 | C30 | C35 | 117.7° | 119.2° |
| C30 | C31 | C32 | 120.8° | 119.7° |
| C31 | C30 | C35 | 118.4° | 119.6° |
| C30 | C31 | H31 | 119.6° | 120.2° |
| C31 | C32 | C33 | 120.6° | 120.8° |
| C32 | C31 | H31 | 119.6° | 120.2° |
| C31 | C32 | H32 | 119.7° | 119.6° |
| C32 | C33 | C34 | 120.6° | 121.1° |
| C33 | C32 | H32 | 119.7° | 119.6° |
| C32 | C33 | H33 | 119.7° | 119.5° |
| C33 | C34 | C35 | 120.4° | 119.8° |
| C34 | C33 | H33 | 119.7° | 119.5° |
| C33 | C34 | H34 | 119.8° | 120.1° |
| C34 | C35 | N36 | 118.4° | 120.9° |
| C34 | C35 | C30 | 119.2° | 119.1° |
| C35 | C34 | H34 | 119.8° | 120.1° |
| C35 | N36 | C6 | 117.6° | 121.2° |
| N36 | C35 | C30 | 122.4° | 120.0° |
| C5 | C37 | N2 | 107.7° | 107.6° |
| C5 | C37 | H37 | 126.1° | 126.2° |
| N2 | C37 | H37 | 126.1° | 126.2° |
| C13 | C28 | H28 | 119.5° | 120.1° |
| N19 | C25 | H25A | 109.1° | 109.5° |
| N19 | C25 | H25B | 109.1° | 109.6° |
| N26 | C21 | H21 | 111.5° | 112.4° |
| H20A | C20 | H20B | 109.5° | 109.6° |
| H15B | C15 | H15A | 109.5° | 109.5° |
| H15B | C15 | H15C | 109.5° | 109.4° |
| H15A | C15 | H15C | 109.4° | 109.6° |
| H1C | C1 | H1B | 109.5° | 109.5° |
| H1C | C1 | H1A | 109.5° | 109.5° |
| H1B | C1 | H1A | 109.4° | 109.4° |
| H10C | C10 | H10B | 109.5° | 109.4° |
| H10C | C10 | H10A | 109.5° | 109.5° |
| H10B | C10 | H10A | 109.4° | 109.5° |
| H22A | C22 | H22B | 109.4° | 110.5° |
| H23A | C23 | H23B | 109.5° | 110.5° |
| H25A | C25 | H25B | 109.5° | 109.6° |
| H27B | C27 | H27A | 109.4° | 109.4° |
| H27B | C27 | H27C | 109.5° | 109.4° |
| H27A | C27 | H27C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N2 | N3 | C37 | 177.5° | 179.9° |
| C1 | N2 | N3 | C4 | 177.3° | 180.0° |
| C1 | N2 | C37 | C5 | 177.1° | 180.0° |
| N2 | C1 | H1C | H1B | 120.0° | 120.0° |
| N2 | C1 | H1C | H1A | 120.0° | 120.0° |
| N2 | C1 | H1B | H1A | 120.0° | 119.9° |
| C1 | N2 | C37 | H37 | 2.9° | 0.1° |
| N2 | N3 | C4 | C5 | 0.1° | 0.0° |
| N3 | N2 | C37 | C5 | 0.1° | 0.0° |
| N3 | N2 | C1 | H1C | 0.0° | 90.0° |
| N3 | N2 | C1 | H1B | 120.0° | 150.0° |
| N3 | N2 | C1 | H1A | 120.0° | 30.1° |
| N2 | N3 | C4 | H4 | 179.9° | 180.0° |
| N3 | N2 | C37 | H37 | 179.9° | 180.0° |
| N3 | C4 | C5 | H4 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 178.6° | 180.0° |
| N3 | C4 | C5 | C37 | 0.1° | 0.0° |
| C4 | N3 | N2 | C37 | 0.1° | 0.0° |
| C4 | C5 | C6 | C37 | 178.4° | 180.0° |
| C4 | C5 | C6 | C7 | 7.8° | 5.0° |
| C4 | C5 | C37 | N2 | 0.0° | 0.1° |
| C4 | C5 | C6 | N36 | 169.6° | 175.0° |
| C4 | C5 | C37 | H37 | 180.0° | 180.0° |
| C5 | C6 | C7 | N36 | 177.2° | 180.0° |
| C5 | C6 | C7 | C8 | 176.4° | 180.0° |
| C5 | C6 | N36 | C35 | 176.7° | 179.5° |
| C6 | C5 | C37 | N2 | 178.7° | 180.0° |
| C6 | C5 | C4 | H4 | 1.4° | 0.0° |
| C5 | C6 | C7 | H7 | 3.5° | 0.2° |
| C6 | C5 | C37 | H37 | 1.3° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.7° |
| C6 | C7 | C8 | C9 | 177.6° | 179.7° |
| C6 | C7 | C8 | C30 | 0.4° | 0.3° |
| C7 | C6 | N36 | C35 | 0.6° | 0.5° |
| C7 | C6 | C5 | C37 | 173.9° | 175.0° |
| C7 | C8 | C9 | C30 | 178.0° | 180.0° |
| C7 | C8 | C9 | C10 | 57.7° | 95.0° |
| C7 | C8 | C9 | N11 | 64.5° | 25.0° |
| C7 | C8 | C30 | C31 | 178.8° | 180.0° |
| C8 | C7 | C6 | N36 | 0.7° | 0.0° |
| C7 | C8 | C30 | C35 | 0.1° | 0.0° |
| C7 | C8 | C9 | H9 | 178.0° | 145.0° |
| C8 | C9 | C10 | N11 | 122.5° | 120.0° |
| C8 | C9 | C10 | H9 | 120.4° | 120.0° |
| C8 | C9 | N11 | H9 | 117.1° | 120.0° |
| C8 | C9 | N11 | C12 | 85.6° | 155.0° |
| C9 | C8 | C30 | C31 | 0.7° | 0.0° |
| C9 | C8 | C30 | C35 | 177.9° | 180.0° |
| C9 | C8 | C7 | H7 | 2.4° | 0.0° |
| C8 | C9 | C10 | H10C | 180.0° | 60.0° |
| C8 | C9 | C10 | H10B | 60.0° | 180.0° |
| C8 | C9 | C10 | H10A | 60.0° | 60.1° |
| C8 | C9 | N11 | H11 | 94.4° | 25.0° |
| C10 | C9 | N11 | H9 | 116.6° | 120.1° |
| C10 | C9 | N11 | C12 | 148.1° | 85.0° |
| C10 | C9 | C8 | C30 | 124.3° | 85.0° |
| C9 | C10 | H10C | H10B | 120.0° | 120.0° |
| C9 | C10 | H10C | H10A | 120.0° | 120.0° |
| C9 | C10 | H10B | H10A | 120.0° | 120.0° |
| C10 | C9 | N11 | H11 | 31.9° | 94.9° |
| C9 | N11 | C12 | H11 | 180.0° | 179.9° |
| C9 | N11 | C12 | C13 | 176.8° | 180.0° |
| C9 | N11 | C12 | O29 | 1.7° | 0.0° |
| N11 | C9 | C8 | C30 | 113.5° | 155.0° |
| N11 | C9 | C10 | H10C | 57.5° | 59.9° |
| N11 | C9 | C10 | H10B | 177.5° | 60.0° |
| N11 | C9 | C10 | H10A | 62.6° | 180.0° |
| N11 | C12 | C13 | O29 | 175.2° | 180.0° |
| N11 | C12 | C13 | C14 | 104.9° | 174.0° |
| N11 | C12 | C13 | C28 | 76.8° | 6.2° |
| C12 | N11 | C9 | H9 | 31.5° | 35.1° |
| C12 | C13 | C14 | C28 | 178.4° | 179.8° |
| C12 | C13 | C14 | C15 | 3.9° | 0.0° |
| C12 | C13 | C14 | C16 | 178.1° | 179.9° |
| C12 | C13 | C28 | C18 | 178.3° | 179.8° |
| C12 | C13 | C28 | H28 | 1.7° | 0.0° |
| C13 | C12 | N11 | H11 | 3.2° | 0.1° |
| C13 | C14 | C15 | C16 | 177.9° | 179.9° |
| C13 | C14 | C16 | C17 | 0.2° | 0.1° |
| C14 | C13 | C28 | C18 | 0.1° | 0.4° |
| C14 | C13 | C12 | O29 | 70.3° | 6.1° |
| C13 | C14 | C16 | H16 | 179.8° | 180.0° |
| C13 | C14 | C15 | H15B | 88.9° | 83.4° |
| C13 | C14 | C15 | H15A | 151.1° | 36.6° |
| C13 | C14 | C15 | H15C | 31.1° | 156.7° |
| C14 | C13 | C28 | H28 | 179.9° | 179.8° |
| C15 | C14 | C16 | C17 | 177.7° | 180.0° |
| C15 | C14 | C13 | C28 | 177.7° | 179.8° |
| C15 | C14 | C16 | H16 | 2.2° | 0.1° |
| C14 | C15 | H15B | H15A | 120.0° | 119.9° |
| C14 | C15 | H15B | H15C | 120.0° | 120.0° |
| C14 | C15 | H15A | H15C | 120.0° | 120.0° |
| C14 | C16 | C17 | H16 | 180.0° | 179.9° |
| C14 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | C14 | C13 | C28 | 0.2° | 0.1° |
| C14 | C16 | C17 | H17 | 179.9° | 180.0° |
| C16 | C14 | C15 | H15B | 89.0° | 96.6° |
| C16 | C14 | C15 | H15A | 31.0° | 143.5° |
| C16 | C14 | C15 | H15C | 151.0° | 23.4° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | N19 | 178.7° | 180.0° |
| C16 | C17 | C18 | C28 | 0.1° | 0.2° |
| C17 | C18 | N19 | C28 | 178.7° | 179.8° |
| C17 | C18 | N19 | C20 | 167.2° | 124.8° |
| C17 | C18 | C28 | C13 | 0.1° | 0.4° |
| C17 | C18 | N19 | C25 | 30.7° | 0.3° |
| C18 | C17 | C16 | H16 | 179.9° | 180.0° |
| C17 | C18 | C28 | H28 | 179.9° | 179.7° |
| C18 | N19 | C20 | C25 | 136.1° | 124.4° |
| C18 | N19 | C20 | C21 | 177.2° | 179.3° |
| C18 | N19 | C25 | C24 | 175.8° | 179.7° |
| N19 | C18 | C28 | C13 | 178.7° | 179.8° |
| C18 | N19 | C20 | H20A | 62.6° | 60.9° |
| C18 | N19 | C20 | H20B | 57.0° | 59.4° |
| N19 | C18 | C17 | H17 | 1.3° | 0.0° |
| C18 | N19 | C25 | H25A | 64.0° | 59.9° |
| C18 | N19 | C25 | H25B | 55.5° | 60.3° |
| N19 | C18 | C28 | H28 | 1.3° | 0.0° |
| N19 | C20 | C21 | H20A | 120.2° | 119.8° |
| N19 | C20 | C21 | H20B | 120.2° | 120.0° |
| N19 | C20 | C21 | C22 | 52.0° | 47.6° |
| C20 | N19 | C25 | C24 | 47.1° | 55.1° |
| C20 | N19 | C18 | C28 | 11.5° | 55.5° |
| N19 | C20 | C21 | N26 | 60.0° | 64.0° |
| N19 | C20 | C21 | H21 | 177.8° | 171.9° |
| N19 | C20 | H20A | H20B | 119.4° | 120.4° |
| C20 | N19 | C25 | H25A | 73.1° | 64.7° |
| C20 | N19 | C25 | H25B | 167.4° | 175.1° |
| C20 | C21 | C22 | N26 | 114.9° | 113.9° |
| C20 | C21 | C22 | H21 | 126.0° | 124.2° |
| C20 | C21 | C22 | C23 | 86.0° | 88.0° |
| C20 | C21 | N26 | C24 | 72.1° | 71.2° |
| C20 | C21 | N26 | C27 | 165.1° | 170.0° |
| C21 | C20 | N19 | C25 | 46.7° | 54.9° |
| C20 | C21 | N26 | H21 | 122.1° | 124.1° |
| C21 | C20 | H20A | H20B | 119.3° | 120.2° |
| C20 | C21 | C22 | H22A | 154.7° | 153.3° |
| C20 | C21 | C22 | H22B | 33.3° | 30.8° |
| C21 | C22 | C23 | H22A | 119.3° | 118.8° |
| C21 | C22 | C23 | H22B | 119.3° | 118.8° |
| C21 | C22 | C23 | C24 | 0.5° | 0.0° |
| C22 | C21 | N26 | C24 | 46.9° | 42.8° |
| C22 | C21 | N26 | C27 | 75.9° | 76.0° |
| C22 | C21 | N26 | H21 | 118.8° | 121.9° |
| C22 | C21 | C20 | H20A | 172.2° | 72.2° |
| C22 | C21 | C20 | H20B | 68.2° | 167.6° |
| C21 | C22 | H22A | H22B | 122.2° | 122.4° |
| C21 | C22 | C23 | H23A | 119.8° | 118.8° |
| C21 | C22 | C23 | H23B | 118.8° | 118.8° |
| C22 | C23 | C24 | H23A | 119.3° | 118.8° |
| C22 | C23 | C24 | H23B | 119.3° | 118.8° |
| C22 | C23 | C24 | C25 | 86.6° | 87.3° |
| C22 | C23 | C24 | N26 | 28.0° | 26.0° |
| C23 | C22 | C21 | N26 | 28.9° | 25.9° |
| C23 | C22 | C21 | H21 | 148.0° | 147.9° |
| C23 | C22 | H22A | H22B | 122.1° | 122.4° |
| C22 | C23 | H23A | H23B | 122.0° | 122.4° |
| C22 | C23 | C24 | H24 | 147.2° | 148.6° |
| C23 | C24 | C25 | N26 | 111.8° | 111.3° |
| C23 | C24 | C25 | H24 | 126.0° | 124.2° |
| C23 | C24 | N26 | H24 | 118.9° | 122.2° |
| C23 | C24 | N26 | C27 | 76.3° | 76.0° |
| C23 | C24 | C25 | N19 | 51.1° | 47.7° |
| C23 | C24 | N26 | C21 | 46.5° | 42.8° |
| C24 | C23 | C22 | H22A | 118.7° | 118.8° |
| C24 | C23 | C22 | H22B | 119.8° | 118.8° |
| C24 | C23 | H23A | H23B | 122.0° | 122.4° |
| C23 | C24 | C25 | H25A | 171.4° | 167.5° |
| C23 | C24 | C25 | H25B | 69.1° | 72.2° |
| C25 | C24 | N26 | H24 | 122.2° | 124.0° |
| C25 | C24 | N26 | C27 | 164.9° | 170.3° |
| C24 | C25 | N19 | H25A | 120.2° | 119.8° |
| C24 | C25 | N19 | H25B | 120.3° | 120.0° |
| C25 | C24 | N26 | C21 | 72.4° | 70.9° |
| C25 | C24 | C23 | H23A | 154.1° | 153.9° |
| C25 | C24 | C23 | H23B | 32.8° | 31.5° |
| C24 | C25 | H25A | H25B | 119.3° | 120.3° |
| C24 | N26 | C27 | C21 | 115.8° | 113.8° |
| N26 | C24 | C25 | N19 | 60.6° | 63.5° |
| C24 | N26 | C21 | H21 | 165.7° | 164.7° |
| N26 | C24 | C23 | H23A | 91.3° | 92.8° |
| N26 | C24 | C23 | H23B | 147.3° | 144.7° |
| N26 | C24 | C25 | H25A | 59.6° | 56.2° |
| N26 | C24 | C25 | H25B | 179.1° | 176.5° |
| C24 | N26 | C27 | H27B | 180.0° | 60.1° |
| C24 | N26 | C27 | H27A | 60.0° | 180.0° |
| C24 | N26 | C27 | H27C | 60.0° | 60.0° |
| C27 | N26 | C21 | H21 | 42.9° | 45.9° |
| C27 | N26 | C24 | H24 | 42.7° | 46.2° |
| N26 | C27 | H27B | H27A | 120.0° | 120.0° |
| N26 | C27 | H27B | H27C | 120.0° | 120.1° |
| N26 | C27 | H27A | H27C | 120.0° | 120.1° |
| C18 | C28 | C13 | H28 | 180.0° | 179.8° |
| C28 | C18 | N19 | C25 | 148.0° | 180.0° |
| C28 | C18 | C17 | H17 | 180.0° | 179.8° |
| O29 | C12 | C13 | C28 | 108.0° | 173.7° |
| O29 | C12 | N11 | H11 | 178.3° | 180.0° |
| C8 | C30 | C31 | C35 | 178.6° | 180.0° |
| C8 | C30 | C31 | C32 | 178.6° | 179.9° |
| C8 | C30 | C35 | C34 | 178.6° | 180.0° |
| C8 | C30 | C35 | N36 | 0.1° | 0.5° |
| C30 | C8 | C7 | H7 | 179.6° | 180.0° |
| C30 | C8 | C9 | H9 | 4.0° | 35.0° |
| C8 | C30 | C31 | H31 | 1.3° | 0.0° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.1° |
| C31 | C30 | C35 | C34 | 0.1° | 0.0° |
| C31 | C30 | C35 | N36 | 178.8° | 179.5° |
| C30 | C31 | C32 | H32 | 179.9° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.0° | 0.0° |
| C32 | C31 | C30 | C35 | 0.0° | 0.0° |
| C31 | C32 | C33 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C33 | C32 | C31 | H31 | 179.9° | 180.0° |
| C32 | C33 | C34 | H34 | 179.9° | 180.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | N36 | 178.9° | 179.5° |
| C33 | C34 | C35 | C30 | 0.1° | 0.0° |
| C34 | C33 | C32 | H32 | 180.0° | 179.9° |
| C34 | C35 | N36 | C30 | 178.7° | 179.5° |
| C34 | C35 | N36 | C6 | 178.4° | 179.8° |
| C35 | C34 | C33 | H33 | 179.9° | 180.0° |
| N36 | C35 | C34 | H34 | 1.1° | 0.5° |
| C5 | C37 | N2 | H37 | 180.0° | 179.9° |
| C37 | C5 | C6 | N36 | 8.7° | 5.0° |
| C37 | C5 | C4 | H4 | 179.9° | 180.0° |
| C37 | N2 | C1 | H1C | 177.0° | 89.9° |
| C37 | N2 | C1 | H1B | 57.0° | 30.1° |
| C37 | N2 | C1 | H1A | 63.0° | 150.0° |
| C6 | N36 | C35 | C30 | 0.3° | 0.8° |
| N36 | C6 | C7 | H7 | 179.3° | 179.8° |
| C25 | N19 | C20 | H20A | 73.5° | 174.7° |
| C25 | N19 | C20 | H20B | 166.9° | 65.0° |
| N19 | C25 | C24 | H24 | 177.2° | 172.0° |
| N19 | C25 | H25A | H25B | 119.3° | 120.2° |
| N26 | C21 | C20 | H20A | 60.2° | 176.2° |
| N26 | C21 | C20 | H20B | 179.8° | 56.0° |
| N26 | C21 | C22 | H22A | 90.4° | 92.8° |
| N26 | C21 | C22 | H22B | 148.2° | 144.8° |
| C21 | N26 | C24 | H24 | 165.4° | 165.0° |
| C21 | N26 | C27 | H27B | 64.2° | 173.9° |
| C21 | N26 | C27 | H27A | 55.8° | 66.2° |
| C21 | N26 | C27 | H27C | 175.7° | 53.8° |
| C35 | C30 | C31 | H31 | 179.9° | 180.0° |
| C30 | C35 | C34 | H34 | 179.9° | 180.0° |
| H21 | C21 | C20 | H20A | 62.0° | 52.1° |
| H21 | C21 | C20 | H20B | 57.6° | 68.1° |
| H21 | C21 | C22 | H22A | 28.8° | 29.1° |
| H21 | C21 | C22 | H22B | 92.7° | 93.3° |
| H17 | C17 | C16 | H16 | 0.1° | 0.1° |
| H15B | C15 | H15A | H15C | 120.0° | 120.0° |
| H1C | C1 | H1B | H1A | 120.0° | 120.0° |
| H9 | C9 | C10 | H10C | 59.6° | 180.0° |
| H9 | C9 | C10 | H10B | 60.4° | 60.0° |
| H9 | C9 | C10 | H10A | 179.7° | 59.9° |
| H9 | C9 | N11 | H11 | 148.5° | 145.0° |
| H10C | C10 | H10B | H10A | 119.9° | 120.0° |
| H22A | C22 | C23 | H23A | 0.6° | 0.0° |
| H22A | C22 | C23 | H23B | 122.0° | 122.5° |
| H22B | C22 | C23 | H23A | 120.9° | 122.4° |
| H22B | C22 | C23 | H23B | 0.5° | 0.0° |
| H23A | C23 | C24 | H24 | 27.9° | 29.8° |
| H23B | C23 | C24 | H24 | 93.5° | 92.7° |
| H24 | C24 | C25 | H25A | 62.6° | 68.3° |
| H24 | C24 | C25 | H25B | 56.9° | 52.0° |
| H27B | C27 | H27A | H27C | 120.0° | 119.9° |
| H31 | C31 | C32 | H32 | 0.1° | 0.1° |
| H32 | C32 | C33 | H33 | 0.0° | 0.1° |
| H33 | C33 | C34 | H34 | 0.1° | 0.0° |
