LLN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C26 | sing | 1.46Å | 1.51Å | |
| C25 | C24 | doub | 1.29Å | 1.33Å | |
| O | C | sing | 1.43Å | 1.42Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.50Å | 1.51Å | |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C27 | C13 | sing | 1.52Å | 1.52Å | |
| C27 | C22 | sing | 1.53Å | 1.55Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.54Å | 1.54Å | |
| C15 | C14 | sing | 1.51Å | 1.57Å | |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.54Å | 1.52Å | |
| C23 | C22 | sing | 1.52Å | 1.54Å | |
| O1 | C2 | sing | 1.36Å | 1.38Å | |
| C2 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C13 | sing | 1.47Å | 1.48Å | |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | N2 | doub | 1.30Å | 1.29Å | |
| C17 | C18 | sing | 1.50Å | 1.53Å | |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | O2 | sing | 1.36Å | 1.36Å | |
| O4 | C21 | doub | 1.21Å | 1.22Å | |
| C21 | N3 | sing | 1.35Å | 1.36Å | |
| N2 | N3 | sing | 1.40Å | 1.39Å | |
| N3 | C14 | sing | 1.46Å | 1.48Å | |
| C14 | C20 | sing | 1.54Å | 1.57Å | |
| O2 | C8 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.53Å | 1.49Å | |
| C18 | C19 | sing | 1.54Å | 1.54Å | |
| C19 | C20 | sing | 1.46Å | 1.54Å | |
| C9 | N | sing | 1.47Å | 1.47Å | |
| O3 | C12 | doub | 1.22Å | 1.23Å | |
| N | C12 | sing | 1.34Å | 1.37Å | |
| N | C10 | sing | 1.47Å | 1.47Å | |
| C12 | N1 | sing | 1.34Å | 1.34Å | |
| C10 | C11 | sing | 1.54Å | 1.52Å | |
| N1 | C11 | sing | 1.47Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H27 | sing | 1.08Å | 1.08Å | |
| C6 | H28 | sing | 1.08Å | 1.08Å | |
| C | H29 | sing | 1.09Å | 1.10Å | |
| C | H30 | sing | 1.09Å | 1.10Å | |
| O | H31 | sing | 0.97Å | 0.95Å | |
| C8 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| N1 | H36 | sing | 0.97Å | 1.00Å | |
| C10 | H37 | sing | 1.09Å | 1.10Å | |
| C10 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 122.5° | 124.4° |
| C25 | C26 | C27 | 112.1° | 111.9° |
| C26 | C25 | H23 | 118.8° | 117.9° |
| C25 | C26 | H24 | 108.8° | 109.1° |
| C25 | C26 | H25 | 108.8° | 109.1° |
| C25 | C24 | C23 | 124.0° | 123.7° |
| C25 | C24 | H22 | 118.0° | 118.2° |
| C24 | C25 | H23 | 118.8° | 117.7° |
| O | C | C1 | 113.5° | 109.5° |
| O | C | H29 | 108.5° | 109.5° |
| O | C | H30 | 108.5° | 109.5° |
| C | O | H31 | 109.5° | 114.0° |
| C26 | C27 | C13 | 109.2° | 107.2° |
| C26 | C27 | C22 | 111.6° | 108.7° |
| C27 | C26 | H24 | 108.8° | 109.2° |
| C27 | C26 | H25 | 108.8° | 108.4° |
| C26 | C27 | H26 | 109.9° | 111.0° |
| C24 | C23 | C22 | 112.1° | 111.4° |
| C24 | C23 | H20 | 108.8° | 109.1° |
| C24 | C23 | H21 | 108.8° | 109.0° |
| C23 | C24 | H22 | 118.0° | 118.1° |
| C | C1 | O1 | 110.2° | 109.5° |
| C | C1 | H1 | 109.3° | 109.4° |
| C | C1 | H2 | 109.3° | 109.5° |
| C1 | C | H29 | 108.5° | 109.5° |
| C1 | C | H30 | 108.4° | 109.5° |
| C1 | O1 | C2 | 119.4° | 117.0° |
| O1 | C1 | H1 | 109.3° | 109.5° |
| O1 | C1 | H2 | 109.3° | 109.5° |
| C13 | C27 | C22 | 105.8° | 106.9° |
| C27 | C13 | C5 | 119.6° | 120.4° |
| C27 | C13 | N2 | 123.4° | 119.2° |
| C13 | C27 | H26 | 110.3° | 111.1° |
| C27 | C22 | C23 | 111.0° | 110.0° |
| C27 | C22 | C21 | 111.3° | 108.6° |
| C27 | C22 | H19 | 107.2° | 108.7° |
| C22 | C27 | H26 | 109.9° | 111.7° |
| C4 | C3 | C2 | 119.6° | 120.2° |
| C3 | C4 | C5 | 120.9° | 120.0° |
| C4 | C3 | H3 | 120.2° | 119.9° |
| C3 | C4 | H27 | 119.5° | 120.0° |
| C3 | C2 | O1 | 125.0° | 120.0° |
| C3 | C2 | C7 | 119.6° | 120.1° |
| C2 | C3 | H3 | 120.2° | 119.9° |
| C16 | C15 | C14 | 118.3° | 112.5° |
| C15 | C16 | C17 | 115.6° | 112.8° |
| C16 | C15 | H7 | 107.2° | 108.9° |
| C16 | C15 | H8 | 107.2° | 108.9° |
| C15 | C16 | H9 | 107.9° | 108.9° |
| C15 | C16 | H10 | 107.9° | 108.8° |
| C15 | C14 | N3 | 113.7° | 109.8° |
| C15 | C14 | C20 | 118.6° | 108.5° |
| C15 | C14 | H6 | 103.1° | 109.7° |
| C14 | C15 | H7 | 107.2° | 108.8° |
| C14 | C15 | H8 | 107.2° | 108.9° |
| C4 | C5 | C13 | 121.0° | 120.1° |
| C4 | C5 | C6 | 119.2° | 119.8° |
| C5 | C4 | H27 | 119.5° | 120.0° |
| C16 | C17 | C18 | 118.0° | 112.5° |
| C17 | C16 | H9 | 107.9° | 108.8° |
| C17 | C16 | H10 | 107.9° | 108.8° |
| C16 | C17 | H11 | 107.3° | 108.9° |
| C16 | C17 | H12 | 107.3° | 108.9° |
| C23 | C22 | C21 | 112.1° | 112.1° |
| C23 | C22 | H19 | 107.3° | 108.8° |
| C22 | C23 | H20 | 108.8° | 109.1° |
| C22 | C23 | H21 | 108.8° | 109.1° |
| O1 | C2 | C7 | 115.3° | 119.9° |
| C2 | C7 | C6 | 119.7° | 120.0° |
| C2 | C7 | O2 | 116.2° | 120.0° |
| C13 | C5 | C6 | 119.8° | 120.1° |
| C5 | C13 | N2 | 116.9° | 120.4° |
| C5 | C6 | C7 | 120.2° | 119.9° |
| C5 | C6 | H28 | 119.9° | 120.1° |
| C13 | N2 | N3 | 119.0° | 121.3° |
| C17 | C18 | C19 | 118.9° | 108.5° |
| C18 | C17 | H11 | 107.3° | 108.9° |
| C18 | C17 | H12 | 107.3° | 108.9° |
| C17 | C18 | H13 | 107.1° | 109.7° |
| C17 | C18 | H14 | 107.0° | 109.7° |
| C22 | C21 | O4 | 122.1° | 121.0° |
| C22 | C21 | N3 | 115.6° | 118.0° |
| C21 | C22 | H19 | 107.6° | 108.7° |
| C6 | C7 | O2 | 122.2° | 120.0° |
| C7 | C6 | H28 | 119.9° | 120.0° |
| C7 | O2 | C8 | 118.6° | 117.0° |
| O4 | C21 | N3 | 122.1° | 121.0° |
| C21 | N3 | N2 | 123.5° | 119.8° |
| C21 | N3 | C14 | 120.6° | 120.1° |
| N2 | N3 | C14 | 115.9° | 120.1° |
| N3 | C14 | C20 | 112.1° | 109.6° |
| N3 | C14 | H6 | 104.0° | 109.6° |
| C14 | C20 | C19 | 117.2° | 112.4° |
| C20 | C14 | H6 | 103.1° | 109.6° |
| C14 | C20 | H17 | 107.5° | 108.9° |
| C14 | C20 | H18 | 107.5° | 108.9° |
| O2 | C8 | C9 | 106.6° | 109.5° |
| O2 | C8 | H32 | 110.2° | 109.4° |
| O2 | C8 | H33 | 110.2° | 109.5° |
| C8 | C9 | N | 110.7° | 109.5° |
| C9 | C8 | H32 | 110.2° | 109.5° |
| C9 | C8 | H33 | 110.2° | 109.5° |
| C8 | C9 | H34 | 109.2° | 109.5° |
| C8 | C9 | H35 | 109.2° | 109.5° |
| C18 | C19 | C20 | 116.4° | 112.4° |
| C19 | C18 | H13 | 107.0° | 109.6° |
| C19 | C18 | H14 | 107.1° | 109.6° |
| C18 | C19 | H15 | 107.7° | 108.9° |
| C18 | C19 | H16 | 107.7° | 108.9° |
| C20 | C19 | H15 | 107.7° | 108.9° |
| C20 | C19 | H16 | 107.7° | 108.9° |
| C19 | C20 | H17 | 107.5° | 108.9° |
| C19 | C20 | H18 | 107.5° | 108.8° |
| C9 | N | C12 | 125.4° | 125.4° |
| C9 | N | C10 | 121.5° | 125.4° |
| N | C9 | H34 | 109.2° | 109.5° |
| N | C9 | H35 | 109.2° | 109.5° |
| O3 | C12 | N | 125.2° | 123.1° |
| O3 | C12 | N1 | 126.5° | 123.1° |
| C12 | N | C10 | 110.9° | 109.1° |
| N | C12 | N1 | 108.3° | 113.8° |
| N | C10 | C11 | 102.6° | 103.9° |
| N | C10 | H37 | 111.2° | 110.6° |
| N | C10 | H38 | 111.2° | 110.6° |
| C12 | N1 | C11 | 112.5° | 109.2° |
| C12 | N1 | H36 | 123.7° | 125.4° |
| C10 | C11 | N1 | 102.8° | 104.0° |
| C10 | C11 | H4 | 111.1° | 110.6° |
| C10 | C11 | H5 | 111.1° | 110.6° |
| C11 | C10 | H37 | 111.2° | 110.5° |
| C11 | C10 | H38 | 111.2° | 110.6° |
| N1 | C11 | H4 | 111.1° | 110.5° |
| N1 | C11 | H5 | 111.1° | 110.6° |
| C11 | N1 | H36 | 123.7° | 125.4° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H4 | C11 | H5 | 109.4° | 110.5° |
| H7 | C15 | H8 | 109.5° | 108.8° |
| H9 | C16 | H10 | 109.4° | 108.7° |
| H11 | C17 | H12 | 109.5° | 108.8° |
| H13 | C18 | H14 | 109.5° | 109.8° |
| H15 | C19 | H16 | 109.5° | 108.8° |
| H17 | C20 | H18 | 109.5° | 108.8° |
| H20 | C23 | H21 | 109.5° | 109.1° |
| H24 | C26 | H25 | 109.5° | 109.0° |
| H29 | C | H30 | 109.4° | 109.4° |
| H32 | C8 | H33 | 109.5° | 109.5° |
| H34 | C9 | H35 | 109.4° | 109.4° |
| H37 | C10 | H38 | 109.4° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | H23 | 180.0° | 179.5° |
| C25 | C26 | C27 | H24 | 120.4° | 120.9° |
| C25 | C26 | C27 | H25 | 120.4° | 120.4° |
| C26 | C25 | C24 | C23 | 13.0° | 1.3° |
| C25 | C26 | C27 | C13 | 161.9° | 163.1° |
| C25 | C26 | C27 | C22 | 45.3° | 47.8° |
| C26 | C25 | C24 | H22 | 167.0° | 178.8° |
| C25 | C26 | H24 | H25 | 118.8° | 119.1° |
| C25 | C26 | C27 | H26 | 76.9° | 75.5° |
| C24 | C25 | C26 | C27 | 23.7° | 18.4° |
| C25 | C24 | C23 | H22 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 23.5° | 15.1° |
| C25 | C24 | C23 | H20 | 96.9° | 135.6° |
| C25 | C24 | C23 | H21 | 143.9° | 105.3° |
| C24 | C25 | C26 | H24 | 96.7° | 102.6° |
| C24 | C25 | C26 | H25 | 144.0° | 138.4° |
| O | C | C1 | H29 | 120.6° | 120.0° |
| O | C | C1 | H30 | 120.6° | 120.0° |
| O | C | C1 | O1 | 59.7° | 65.0° |
| O | C | C1 | H1 | 179.8° | 55.0° |
| O | C | C1 | H2 | 60.4° | 175.0° |
| O | C | H29 | H30 | 118.2° | 120.0° |
| C26 | C27 | C13 | C22 | 120.2° | 116.4° |
| C26 | C27 | C13 | H26 | 120.9° | 121.4° |
| C26 | C27 | C22 | H26 | 122.3° | 122.8° |
| C26 | C27 | C22 | C23 | 57.3° | 62.4° |
| C26 | C27 | C13 | C5 | 93.1° | 102.7° |
| C26 | C27 | C13 | N2 | 82.9° | 77.0° |
| C26 | C27 | C22 | C21 | 68.4° | 60.6° |
| C26 | C27 | C22 | H19 | 174.2° | 178.7° |
| C27 | C26 | C25 | H23 | 156.4° | 162.1° |
| C27 | C26 | H24 | H25 | 118.8° | 118.3° |
| C24 | C23 | C22 | C27 | 44.6° | 45.2° |
| C24 | C23 | C22 | H20 | 120.4° | 120.5° |
| C24 | C23 | C22 | H21 | 120.4° | 120.4° |
| C24 | C23 | C22 | C21 | 80.6° | 75.7° |
| C24 | C23 | C22 | H19 | 161.4° | 164.1° |
| C24 | C23 | H20 | H21 | 118.8° | 119.1° |
| C23 | C24 | C25 | H23 | 167.0° | 179.3° |
| C | C1 | O1 | H1 | 120.1° | 120.0° |
| C | C1 | O1 | H2 | 120.1° | 120.0° |
| C | C1 | O1 | C2 | 152.5° | 180.0° |
| C | C1 | H1 | H2 | 119.7° | 120.0° |
| C1 | C | H29 | H30 | 118.1° | 120.0° |
| C1 | C | O | H31 | 180.0° | 180.0° |
| C1 | O1 | C2 | C3 | 4.0° | 0.2° |
| C1 | O1 | C2 | C7 | 178.8° | 180.0° |
| O1 | C1 | H1 | H2 | 119.6° | 120.0° |
| O1 | C1 | C | H29 | 60.9° | 175.0° |
| O1 | C1 | C | H30 | 179.7° | 55.0° |
| C13 | C27 | C22 | H26 | 119.1° | 121.7° |
| C27 | C13 | C5 | C4 | 5.1° | 0.3° |
| C13 | C27 | C22 | C23 | 176.0° | 177.8° |
| C27 | C13 | C5 | N2 | 176.2° | 179.7° |
| C27 | C13 | C5 | C6 | 175.7° | 179.7° |
| C13 | C27 | C22 | C21 | 50.3° | 54.8° |
| C27 | C13 | N2 | N3 | 3.2° | 0.5° |
| C13 | C27 | C22 | H19 | 67.1° | 63.2° |
| C13 | C27 | C26 | H24 | 41.5° | 42.2° |
| C13 | C27 | C26 | H25 | 77.7° | 76.5° |
| C27 | C22 | C23 | C21 | 125.2° | 120.9° |
| C27 | C22 | C23 | H19 | 116.9° | 118.9° |
| C22 | C27 | C13 | C5 | 146.7° | 140.9° |
| C22 | C27 | C13 | N2 | 37.4° | 39.5° |
| C27 | C22 | C21 | H19 | 117.1° | 118.0° |
| C27 | C22 | C21 | O4 | 140.8° | 143.6° |
| C27 | C22 | C21 | N3 | 34.9° | 36.4° |
| C27 | C22 | C23 | H20 | 75.8° | 165.7° |
| C27 | C22 | C23 | H21 | 165.0° | 75.2° |
| C22 | C27 | C26 | H24 | 75.1° | 73.1° |
| C22 | C27 | C26 | H25 | 165.7° | 168.2° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | H27 | 180.0° | 179.9° |
| C4 | C3 | C2 | O1 | 179.6° | 179.7° |
| C4 | C3 | C2 | C7 | 2.6° | 0.0° |
| C3 | C4 | C5 | C13 | 175.9° | 180.0° |
| C3 | C4 | C5 | C6 | 5.0° | 0.1° |
| C2 | C3 | C4 | C5 | 1.6° | 0.0° |
| C3 | C2 | O1 | C7 | 177.2° | 179.8° |
| C3 | C2 | C7 | C6 | 6.9° | 0.0° |
| C3 | C2 | C7 | O2 | 171.2° | 180.0° |
| C2 | C3 | C4 | H27 | 178.4° | 179.9° |
| C16 | C15 | C14 | H7 | 121.3° | 120.7° |
| C16 | C15 | C14 | H8 | 121.3° | 120.8° |
| C15 | C16 | C17 | H9 | 120.9° | 120.9° |
| C15 | C16 | C17 | H10 | 120.9° | 120.8° |
| C15 | C16 | C17 | C18 | 66.1° | 41.7° |
| C16 | C15 | C14 | N3 | 172.5° | 146.0° |
| C16 | C15 | C14 | C20 | 37.5° | 94.2° |
| C16 | C15 | C14 | H6 | 75.6° | 25.5° |
| C16 | C15 | H7 | H8 | 115.9° | 118.6° |
| C15 | C16 | H9 | H10 | 117.2° | 118.4° |
| C15 | C16 | C17 | H11 | 172.7° | 79.1° |
| C15 | C16 | C17 | H12 | 55.1° | 162.4° |
| C14 | C15 | C16 | C17 | 79.6° | 41.8° |
| C15 | C14 | N3 | C21 | 104.7° | 120.9° |
| C15 | C14 | N3 | N2 | 75.7° | 59.1° |
| C15 | C14 | N3 | C20 | 137.9° | 119.1° |
| C15 | C14 | N3 | H6 | 111.4° | 120.5° |
| C15 | C14 | C20 | H6 | 113.1° | 119.8° |
| C15 | C14 | C20 | C19 | 33.3° | 80.0° |
| C14 | C15 | H7 | H8 | 116.0° | 118.5° |
| C14 | C15 | C16 | H9 | 41.4° | 79.1° |
| C14 | C15 | C16 | H10 | 159.5° | 162.5° |
| C15 | C14 | C20 | H17 | 154.4° | 40.7° |
| C15 | C14 | C20 | H18 | 87.9° | 159.3° |
| C4 | C5 | C13 | C6 | 179.1° | 180.0° |
| C4 | C5 | C13 | N2 | 178.6° | 179.9° |
| C4 | C5 | C6 | C7 | 9.3° | 0.1° |
| C5 | C4 | C3 | H3 | 178.4° | 180.0° |
| C4 | C5 | C6 | H28 | 170.7° | 180.0° |
| C16 | C17 | C18 | H11 | 121.2° | 120.8° |
| C16 | C17 | C18 | H12 | 121.2° | 120.7° |
| C16 | C17 | C18 | C19 | 51.4° | 94.2° |
| C17 | C16 | C15 | H7 | 41.7° | 162.4° |
| C17 | C16 | C15 | H8 | 159.2° | 79.0° |
| C17 | C16 | H9 | H10 | 117.2° | 118.3° |
| C16 | C17 | H11 | H12 | 116.2° | 118.5° |
| C16 | C17 | C18 | H13 | 69.9° | 146.1° |
| C16 | C17 | C18 | H14 | 172.8° | 25.5° |
| C23 | C22 | C21 | H19 | 117.8° | 120.2° |
| C23 | C22 | C21 | O4 | 15.7° | 21.9° |
| C23 | C22 | C21 | N3 | 160.0° | 158.1° |
| C22 | C23 | H20 | H21 | 118.8° | 119.0° |
| C22 | C23 | C24 | H22 | 156.5° | 164.9° |
| C23 | C22 | C27 | H26 | 65.0° | 60.5° |
| O1 | C2 | C7 | C6 | 175.7° | 179.8° |
| O1 | C2 | C7 | O2 | 11.5° | 0.3° |
| C2 | O1 | C1 | H1 | 87.4° | 60.0° |
| C2 | O1 | C1 | H2 | 32.4° | 60.0° |
| O1 | C2 | C3 | H3 | 0.4° | 0.3° |
| C2 | C7 | C6 | C5 | 10.3° | 0.0° |
| C2 | C7 | C6 | O2 | 163.3° | 180.0° |
| C2 | C7 | O2 | C8 | 177.5° | 180.0° |
| C7 | C2 | C3 | H3 | 177.5° | 180.0° |
| C2 | C7 | C6 | H28 | 169.7° | 179.9° |
| C13 | C5 | C6 | C7 | 171.5° | 180.0° |
| C5 | C13 | N2 | N3 | 179.3° | 179.2° |
| C5 | C13 | C27 | H26 | 27.9° | 18.8° |
| C13 | C5 | C4 | H27 | 4.1° | 0.1° |
| C13 | C5 | C6 | H28 | 8.4° | 0.1° |
| C6 | C5 | C13 | N2 | 0.5° | 0.0° |
| C5 | C6 | C7 | H28 | 180.0° | 179.9° |
| C5 | C6 | C7 | O2 | 173.6° | 180.0° |
| C6 | C5 | C4 | H27 | 175.1° | 180.0° |
| C13 | N2 | N3 | C21 | 19.3° | 24.9° |
| C13 | N2 | N3 | C14 | 161.1° | 155.1° |
| N2 | C13 | C27 | H26 | 156.2° | 161.6° |
| C17 | C18 | C19 | H13 | 121.3° | 119.8° |
| C17 | C18 | C19 | H14 | 121.3° | 119.7° |
| C17 | C18 | C19 | C20 | 67.3° | 79.9° |
| C18 | C17 | C16 | H9 | 54.8° | 162.6° |
| C18 | C17 | C16 | H10 | 173.0° | 79.1° |
| C18 | C17 | H11 | H12 | 116.1° | 118.5° |
| C17 | C18 | H13 | H14 | 115.7° | 120.5° |
| C17 | C18 | C19 | H15 | 171.7° | 40.8° |
| C17 | C18 | C19 | H16 | 53.7° | 159.3° |
| C22 | C21 | O4 | N3 | 175.4° | 180.0° |
| C22 | C21 | N3 | N2 | 1.4° | 3.8° |
| C22 | C21 | N3 | C14 | 178.9° | 176.2° |
| C21 | C22 | C23 | H20 | 159.0° | 44.8° |
| C21 | C22 | C23 | H21 | 39.8° | 163.9° |
| C21 | C22 | C27 | H26 | 169.3° | 176.6° |
| C6 | C7 | O2 | C8 | 18.7° | 0.0° |
| C7 | O2 | C8 | C9 | 171.4° | 180.0° |
| O2 | C7 | C6 | H28 | 6.4° | 0.1° |
| C7 | O2 | C8 | H32 | 51.9° | 60.0° |
| C7 | O2 | C8 | H33 | 69.0° | 60.0° |
| O4 | C21 | N3 | N2 | 177.1° | 176.2° |
| O4 | C21 | N3 | C14 | 3.3° | 3.8° |
| O4 | C21 | C22 | H19 | 102.1° | 98.3° |
| C21 | N3 | N2 | C14 | 179.7° | 180.0° |
| C21 | N3 | C14 | C20 | 117.4° | 120.0° |
| C21 | N3 | C14 | H6 | 6.7° | 0.4° |
| N3 | C21 | C22 | H19 | 82.3° | 81.7° |
| N2 | N3 | C14 | C20 | 62.2° | 60.0° |
| N2 | N3 | C14 | H6 | 173.0° | 179.6° |
| N3 | C14 | C20 | H6 | 111.3° | 120.4° |
| N3 | C14 | C20 | C19 | 102.4° | 160.1° |
| N3 | C14 | C15 | H7 | 51.2° | 25.3° |
| N3 | C14 | C15 | H8 | 66.3° | 93.1° |
| N3 | C14 | C20 | H17 | 18.8° | 79.1° |
| N3 | C14 | C20 | H18 | 136.5° | 39.4° |
| C14 | C20 | C19 | C18 | 77.2° | 61.9° |
| C14 | C20 | C19 | H17 | 121.1° | 120.8° |
| C14 | C20 | C19 | H18 | 121.1° | 120.8° |
| C20 | C14 | C15 | H7 | 83.8° | 145.1° |
| C20 | C14 | C15 | H8 | 158.8° | 26.6° |
| C14 | C20 | C19 | H15 | 161.8° | 58.8° |
| C14 | C20 | C19 | H16 | 43.8° | 177.3° |
| C14 | C20 | H17 | H18 | 116.4° | 118.6° |
| O2 | C8 | C9 | H32 | 119.5° | 119.9° |
| O2 | C8 | C9 | H33 | 119.5° | 120.0° |
| O2 | C8 | C9 | N | 74.7° | 65.0° |
| O2 | C8 | H32 | H33 | 121.3° | 120.0° |
| O2 | C8 | C9 | H34 | 165.1° | 175.0° |
| O2 | C8 | C9 | H35 | 45.5° | 55.1° |
| C8 | C9 | N | H34 | 120.2° | 120.0° |
| C8 | C9 | N | H35 | 120.2° | 120.1° |
| C8 | C9 | N | C12 | 126.8° | 90.0° |
| C8 | C9 | N | C10 | 71.3° | 90.1° |
| C9 | C8 | H32 | H33 | 121.3° | 120.0° |
| C8 | C9 | H34 | H35 | 119.4° | 120.0° |
| C18 | C19 | C20 | H15 | 121.0° | 120.7° |
| C18 | C19 | C20 | H16 | 121.0° | 120.8° |
| C19 | C18 | C17 | H11 | 172.6° | 26.6° |
| C19 | C18 | C17 | H12 | 69.8° | 145.1° |
| C19 | C18 | H13 | H14 | 115.7° | 120.4° |
| C18 | C19 | H15 | H16 | 116.8° | 118.6° |
| C18 | C19 | C20 | H17 | 161.7° | 58.9° |
| C18 | C19 | C20 | H18 | 43.9° | 177.3° |
| C19 | C20 | C14 | H6 | 146.4° | 39.8° |
| C20 | C19 | C18 | H13 | 54.1° | 160.3° |
| C20 | C19 | C18 | H14 | 171.4° | 39.8° |
| C20 | C19 | H15 | H16 | 116.8° | 118.5° |
| C19 | C20 | H17 | H18 | 116.5° | 118.5° |
| C9 | N | C12 | O3 | 5.5° | 0.0° |
| C9 | N | C12 | C10 | 163.5° | 179.9° |
| C9 | N | C12 | N1 | 172.7° | 179.9° |
| C9 | N | C10 | C11 | 179.8° | 180.0° |
| N | C9 | C8 | H32 | 44.8° | 54.9° |
| N | C9 | C8 | H33 | 165.7° | 175.0° |
| N | C9 | H34 | H35 | 119.5° | 120.0° |
| C9 | N | C10 | H37 | 60.9° | 61.5° |
| C9 | N | C10 | H38 | 61.3° | 61.4° |
| O3 | C12 | N | N1 | 178.1° | 179.9° |
| O3 | C12 | N | C10 | 168.9° | 179.9° |
| O3 | C12 | N1 | C11 | 179.6° | 180.0° |
| O3 | C12 | N1 | H36 | 0.4° | 0.0° |
| C12 | N | C10 | C11 | 16.0° | 0.0° |
| N | C12 | N1 | C11 | 2.3° | 0.1° |
| C12 | N | C9 | H34 | 113.0° | 30.1° |
| C12 | N | C9 | H35 | 6.6° | 150.0° |
| N | C12 | N1 | H36 | 177.7° | 180.0° |
| C12 | N | C10 | H37 | 134.9° | 118.6° |
| C12 | N | C10 | H38 | 102.9° | 118.6° |
| C10 | N | C12 | N1 | 9.2° | 0.0° |
| N | C10 | C11 | H37 | 118.9° | 118.6° |
| N | C10 | C11 | H38 | 118.9° | 118.6° |
| N | C10 | C11 | N1 | 15.9° | 0.1° |
| N | C10 | C11 | H4 | 103.1° | 118.5° |
| N | C10 | C11 | H5 | 134.8° | 118.7° |
| C10 | N | C9 | H34 | 48.8° | 149.9° |
| C10 | N | C9 | H35 | 168.5° | 30.0° |
| N | C10 | H37 | H38 | 123.2° | 122.8° |
| C12 | N1 | C11 | C10 | 12.0° | 0.1° |
| C12 | N1 | C11 | H36 | 180.0° | 180.0° |
| C12 | N1 | C11 | H4 | 107.0° | 118.6° |
| C12 | N1 | C11 | H5 | 130.9° | 118.8° |
| C10 | C11 | N1 | H4 | 118.9° | 118.6° |
| C10 | C11 | N1 | H5 | 119.0° | 118.7° |
| C10 | C11 | H4 | H5 | 123.1° | 122.8° |
| C10 | C11 | N1 | H36 | 168.0° | 180.0° |
| C11 | C10 | H37 | H38 | 123.2° | 122.7° |
| N1 | C11 | H4 | H5 | 123.1° | 122.7° |
| N1 | C11 | C10 | H37 | 134.8° | 118.7° |
| N1 | C11 | C10 | H38 | 103.0° | 118.6° |
| H1 | C1 | C | H29 | 59.2° | 65.0° |
| H1 | C1 | C | H30 | 59.6° | 175.0° |
| H2 | C1 | C | H29 | 179.0° | 55.0° |
| H2 | C1 | C | H30 | 60.2° | 65.0° |
| H3 | C3 | C4 | H27 | 1.6° | 0.1° |
| H4 | C11 | N1 | H36 | 73.0° | 61.4° |
| H4 | C11 | C10 | H37 | 15.8° | 0.1° |
| H4 | C11 | C10 | H38 | 138.0° | 122.8° |
| H5 | C11 | N1 | H36 | 49.1° | 61.2° |
| H5 | C11 | C10 | H37 | 106.3° | 122.7° |
| H5 | C11 | C10 | H38 | 15.9° | 0.1° |
| H6 | C14 | C15 | H7 | 163.1° | 95.2° |
| H6 | C14 | C15 | H8 | 45.6° | 146.3° |
| H6 | C14 | C20 | H17 | 92.5° | 160.5° |
| H6 | C14 | C20 | H18 | 25.3° | 81.0° |
| H7 | C15 | C16 | H9 | 162.6° | 41.6° |
| H7 | C15 | C16 | H10 | 79.2° | 76.8° |
| H8 | C15 | C16 | H9 | 79.9° | 160.1° |
| H8 | C15 | C16 | H10 | 38.2° | 41.8° |
| H9 | C16 | C17 | H11 | 66.4° | 41.8° |
| H9 | C16 | C17 | H12 | 176.0° | 76.7° |
| H10 | C16 | C17 | H11 | 51.8° | 160.1° |
| H10 | C16 | C17 | H12 | 65.8° | 41.6° |
| H11 | C17 | C18 | H13 | 51.3° | 93.1° |
| H11 | C17 | C18 | H14 | 66.0° | 146.3° |
| H12 | C17 | C18 | H13 | 168.9° | 25.4° |
| H12 | C17 | C18 | H14 | 51.6° | 95.2° |
| H13 | C18 | C19 | H15 | 66.9° | 79.0° |
| H13 | C18 | C19 | H16 | 175.1° | 39.5° |
| H14 | C18 | C19 | H15 | 50.4° | 160.5° |
| H14 | C18 | C19 | H16 | 67.6° | 81.0° |
| H15 | C19 | C20 | H17 | 40.7° | 179.6° |
| H15 | C19 | C20 | H18 | 77.1° | 62.0° |
| H16 | C19 | C20 | H17 | 77.3° | 62.0° |
| H16 | C19 | C20 | H18 | 164.9° | 56.5° |
| H19 | C22 | C23 | H20 | 41.0° | 75.4° |
| H19 | C22 | C23 | H21 | 78.2° | 43.7° |
| H19 | C22 | C27 | H26 | 52.0° | 58.5° |
| H20 | C23 | C24 | H22 | 83.1° | 44.5° |
| H21 | C23 | C24 | H22 | 36.1° | 74.7° |
| H22 | C24 | C25 | H23 | 13.0° | 0.7° |
| H23 | C25 | C26 | H24 | 83.2° | 76.9° |
| H23 | C25 | C26 | H25 | 36.0° | 42.2° |
| H24 | C26 | C27 | H26 | 162.7° | 163.6° |
| H25 | C26 | C27 | H26 | 43.5° | 44.9° |
| H29 | C | O | H31 | 59.4° | 59.9° |
| H30 | C | O | H31 | 59.4° | 60.0° |
| H32 | C8 | C9 | H34 | 75.4° | 65.1° |
| H32 | C8 | C9 | H35 | 165.0° | 175.0° |
| H33 | C8 | C9 | H34 | 45.5° | 55.0° |
| H33 | C8 | C9 | H35 | 74.1° | 64.9° |
