5EX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C16 | doub | 1.22Å | 1.22Å | |
| C16 | C15 | sing | 1.47Å | 1.51Å | |
| C16 | O2 | sing | 1.35Å | 1.45Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | O2 | sing | 1.45Å | 1.43Å | |
| C15 | C14 | doub | 1.33Å | 1.53Å | |
| C14 | C10 | sing | 1.51Å | 1.55Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | N | sing | 1.46Å | 1.46Å | |
| O1 | C13 | doub | 1.21Å | 1.21Å | |
| C13 | C12 | sing | 1.51Å | 1.49Å | |
| C13 | N1 | sing | 1.34Å | 1.33Å | |
| N | C17 | sing | 1.35Å | 1.34Å | |
| C12 | C26 | sing | 1.55Å | 1.53Å | |
| C26 | C25 | sing | 1.54Å | 1.53Å | |
| N1 | C25 | sing | 1.47Å | 1.44Å | |
| O4 | C17 | doub | 1.21Å | 1.22Å | |
| C17 | C2 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C2 | N2 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| O21 | C20 | doub | 1.21Å | 1.24Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | C20 | sing | 1.35Å | 1.33Å | |
| C20 | C22 | sing | 1.49Å | 1.50Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | O5 | doub | 1.21Å | 1.22Å | |
| C22 | N6 | sing | 1.35Å | 1.33Å | |
| C21 | N6 | sing | 1.47Å | 1.43Å | |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.54Å | 1.53Å | |
| C23 | C28 | sing | 1.54Å | 1.52Å | |
| C24 | C27 | sing | 1.54Å | 1.52Å | |
| C27 | C28 | sing | 1.54Å | 1.52Å | |
| C23 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C27 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| C5 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.08Å | 1.08Å | |
| C15 | H24 | sing | 1.08Å | 1.08Å | |
| C8 | H26 | sing | 1.08Å | 1.08Å | |
| C9 | H27 | sing | 1.08Å | 1.08Å | |
| N1 | H28 | sing | 0.97Å | 1.00Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| N2 | H32 | sing | 0.97Å | 1.00Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| N | H35 | sing | 0.97Å | 1.00Å | |
| N6 | H36 | sing | 0.97Å | 1.00Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C16 | C15 | 124.4° | 120.0° |
| O3 | C16 | O2 | 118.0° | 120.0° |
| C15 | C16 | O2 | 117.6° | 120.0° |
| C16 | C15 | C14 | 117.7° | 120.0° |
| C16 | C15 | H24 | 121.1° | 120.0° |
| C16 | O2 | C18 | 120.9° | 117.0° |
| C19 | C18 | O2 | 109.7° | 109.5° |
| C19 | C18 | H10 | 109.4° | 109.4° |
| C19 | C18 | H11 | 109.4° | 109.5° |
| C18 | C19 | H29 | 109.5° | 109.5° |
| C18 | C19 | H30 | 109.5° | 109.4° |
| C18 | C19 | H31 | 109.5° | 109.4° |
| O2 | C18 | H10 | 109.4° | 109.5° |
| O2 | C18 | H11 | 109.4° | 109.5° |
| C15 | C14 | C10 | 106.7° | 120.0° |
| C15 | C14 | H22 | 126.6° | 120.0° |
| C14 | C15 | H24 | 121.1° | 120.0° |
| C14 | C10 | C11 | 111.3° | 109.4° |
| C14 | C10 | N | 108.7° | 109.5° |
| C14 | C10 | H12 | 107.1° | 109.5° |
| C10 | C14 | H22 | 126.6° | 120.1° |
| C10 | C11 | C12 | 112.1° | 109.5° |
| C11 | C10 | N | 113.9° | 109.5° |
| C11 | C10 | H12 | 107.3° | 109.4° |
| C10 | C11 | H19 | 108.8° | 109.5° |
| C10 | C11 | H20 | 108.8° | 109.5° |
| C11 | C12 | C13 | 111.0° | 110.5° |
| C11 | C12 | C26 | 114.2° | 110.5° |
| C12 | C11 | H19 | 108.8° | 109.5° |
| C12 | C11 | H20 | 108.8° | 109.5° |
| C11 | C12 | H21 | 109.1° | 110.5° |
| C10 | N | C17 | 124.5° | 120.0° |
| N | C10 | H12 | 108.2° | 109.5° |
| C10 | N | H35 | 117.8° | 120.0° |
| O1 | C13 | C12 | 121.6° | 125.0° |
| O1 | C13 | N1 | 127.6° | 124.9° |
| C12 | C13 | N1 | 110.8° | 110.1° |
| C13 | C12 | C26 | 103.5° | 104.2° |
| C13 | C12 | H21 | 109.7° | 110.6° |
| C13 | N1 | C25 | 113.1° | 111.3° |
| C13 | N1 | H28 | 123.4° | 124.3° |
| N | C17 | O4 | 125.2° | 120.0° |
| N | C17 | C2 | 115.6° | 120.0° |
| C17 | N | H35 | 117.8° | 120.0° |
| C12 | C26 | C25 | 105.4° | 101.8° |
| C12 | C26 | H6 | 110.5° | 110.9° |
| C12 | C26 | H7 | 110.5° | 111.0° |
| C26 | C12 | H21 | 109.2° | 110.5° |
| C26 | C25 | N1 | 104.2° | 105.5° |
| C25 | C26 | H6 | 110.5° | 111.0° |
| C25 | C26 | H7 | 110.5° | 111.0° |
| C26 | C25 | H33 | 110.8° | 110.2° |
| C26 | C25 | H34 | 110.8° | 110.2° |
| C25 | N1 | H28 | 123.4° | 124.4° |
| N1 | C25 | H33 | 110.8° | 110.2° |
| N1 | C25 | H34 | 110.8° | 110.3° |
| O4 | C17 | C2 | 119.2° | 120.0° |
| C17 | C2 | C3 | 104.4° | 109.5° |
| C17 | C2 | N2 | 115.4° | 109.4° |
| C17 | C2 | H16 | 108.4° | 109.5° |
| C2 | C3 | C4 | 116.9° | 109.5° |
| C3 | C2 | N2 | 111.4° | 109.5° |
| C3 | C2 | H16 | 108.0° | 109.5° |
| C2 | C3 | H17 | 107.6° | 109.5° |
| C2 | C3 | H18 | 107.6° | 109.5° |
| C3 | C4 | C5 | 122.4° | 120.0° |
| C3 | C4 | C9 | 118.5° | 120.0° |
| C4 | C3 | H17 | 107.6° | 109.5° |
| C4 | C3 | H18 | 107.6° | 109.5° |
| C2 | N2 | C20 | 127.1° | 120.0° |
| N2 | C2 | H16 | 108.9° | 109.4° |
| C2 | N2 | H32 | 116.4° | 120.0° |
| C5 | C4 | C9 | 119.0° | 120.0° |
| C4 | C5 | C6 | 120.1° | 120.0° |
| C4 | C5 | H14 | 120.0° | 120.0° |
| C4 | C9 | C8 | 120.7° | 120.0° |
| C4 | C9 | H27 | 119.6° | 120.0° |
| C5 | C6 | C7 | 120.4° | 120.0° |
| C6 | C5 | H14 | 119.9° | 120.0° |
| C5 | C6 | H15 | 119.8° | 120.0° |
| O21 | C20 | N2 | 122.2° | 120.0° |
| O21 | C20 | C22 | 126.0° | 120.0° |
| C9 | C8 | C7 | 120.0° | 120.0° |
| C9 | C8 | H26 | 120.0° | 120.0° |
| C8 | C9 | H27 | 119.6° | 120.0° |
| N2 | C20 | C22 | 111.8° | 120.0° |
| C20 | N2 | H32 | 116.4° | 120.0° |
| C20 | C22 | O5 | 116.2° | 120.0° |
| C20 | C22 | N6 | 131.3° | 120.0° |
| C6 | C7 | C8 | 119.7° | 120.0° |
| C6 | C7 | H13 | 120.1° | 120.0° |
| C7 | C6 | H15 | 119.8° | 120.0° |
| C8 | C7 | H13 | 120.1° | 120.0° |
| C7 | C8 | H26 | 120.0° | 120.0° |
| O5 | C22 | N6 | 112.5° | 120.0° |
| C22 | N6 | C21 | 128.5° | 120.0° |
| C22 | N6 | H36 | 115.7° | 120.0° |
| N6 | C21 | C23 | 108.6° | 109.4° |
| N6 | C21 | H2 | 109.7° | 109.4° |
| N6 | C21 | H3 | 109.7° | 109.5° |
| C21 | N6 | H36 | 115.8° | 120.0° |
| C21 | C23 | C24 | 115.2° | 113.6° |
| C21 | C23 | C28 | 114.4° | 113.6° |
| C21 | C23 | H1 | 112.2° | 113.0° |
| C23 | C21 | H2 | 109.7° | 109.5° |
| C23 | C21 | H3 | 109.7° | 109.5° |
| C24 | C23 | C28 | 88.8° | 87.1° |
| C23 | C24 | C27 | 91.0° | 87.1° |
| C24 | C23 | H1 | 112.1° | 113.6° |
| C23 | C24 | H4 | 113.9° | 113.6° |
| C23 | C24 | H5 | 113.9° | 113.5° |
| C23 | C28 | C27 | 91.1° | 87.1° |
| C28 | C23 | H1 | 112.2° | 113.6° |
| C23 | C28 | H37 | 113.9° | 113.6° |
| C23 | C28 | H38 | 113.9° | 113.6° |
| C24 | C27 | C28 | 89.1° | 87.1° |
| C27 | C24 | H4 | 113.9° | 113.6° |
| C27 | C24 | H5 | 113.9° | 113.6° |
| C24 | C27 | H8 | 114.3° | 113.6° |
| C24 | C27 | H9 | 114.3° | 113.6° |
| C28 | C27 | H8 | 114.3° | 113.6° |
| C28 | C27 | H9 | 114.3° | 113.6° |
| C27 | C28 | H37 | 113.8° | 113.6° |
| C27 | C28 | H38 | 113.8° | 113.6° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H4 | C24 | H5 | 109.4° | 112.9° |
| H6 | C26 | H7 | 109.5° | 110.9° |
| H8 | C27 | H9 | 109.5° | 112.9° |
| H10 | C18 | H11 | 109.5° | 109.4° |
| H17 | C3 | H18 | 109.4° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.4° |
| H29 | C19 | H30 | 109.5° | 109.5° |
| H29 | C19 | H31 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| H33 | C25 | H34 | 109.5° | 110.3° |
| H37 | C28 | H38 | 109.4° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C16 | C15 | O2 | 179.5° | 179.9° |
| O3 | C16 | O2 | C18 | 9.8° | 0.0° |
| O3 | C16 | C15 | C14 | 39.1° | 9.6° |
| O3 | C16 | C15 | H24 | 140.8° | 170.4° |
| C15 | C16 | O2 | C18 | 170.7° | 180.0° |
| C16 | C15 | C14 | H24 | 180.0° | 180.0° |
| C16 | C15 | C14 | C10 | 66.6° | 16.8° |
| C16 | C15 | C14 | H22 | 113.4° | 163.2° |
| C16 | O2 | C18 | C19 | 146.7° | 180.0° |
| O2 | C16 | C15 | C14 | 141.4° | 170.4° |
| C16 | O2 | C18 | H10 | 26.6° | 60.0° |
| C16 | O2 | C18 | H11 | 93.3° | 59.9° |
| O2 | C16 | C15 | H24 | 38.6° | 9.7° |
| C19 | C18 | O2 | H10 | 120.0° | 120.0° |
| C19 | C18 | O2 | H11 | 120.0° | 120.0° |
| C19 | C18 | H10 | H11 | 119.9° | 120.0° |
| C18 | C19 | H29 | H30 | 120.0° | 120.0° |
| C18 | C19 | H29 | H31 | 120.0° | 120.0° |
| C18 | C19 | H30 | H31 | 120.0° | 119.9° |
| O2 | C18 | H10 | H11 | 119.9° | 120.0° |
| O2 | C18 | C19 | H29 | 180.0° | 180.0° |
| O2 | C18 | C19 | H30 | 60.0° | 60.0° |
| O2 | C18 | C19 | H31 | 60.0° | 60.0° |
| C15 | C14 | C10 | H22 | 180.0° | 180.0° |
| C15 | C14 | C10 | C11 | 157.5° | 120.4° |
| C15 | C14 | C10 | N | 76.2° | 119.6° |
| C15 | C14 | C10 | H12 | 40.5° | 0.4° |
| C14 | C10 | C11 | N | 123.3° | 120.0° |
| C14 | C10 | C11 | H12 | 116.9° | 120.0° |
| C14 | C10 | C11 | C12 | 173.6° | 67.2° |
| C14 | C10 | N | H12 | 116.0° | 120.1° |
| C14 | C10 | N | C17 | 115.9° | 158.2° |
| C14 | C10 | C11 | H19 | 53.2° | 172.7° |
| C14 | C10 | C11 | H20 | 66.0° | 52.8° |
| C10 | C14 | C15 | H24 | 113.4° | 163.2° |
| C14 | C10 | N | H35 | 64.1° | 21.8° |
| C10 | C11 | C12 | H19 | 120.4° | 120.0° |
| C10 | C11 | C12 | H20 | 120.4° | 120.0° |
| C11 | C10 | N | H12 | 119.3° | 120.0° |
| C10 | C11 | C12 | C13 | 178.6° | 84.2° |
| C11 | C10 | N | C17 | 119.4° | 81.9° |
| C10 | C11 | C12 | C26 | 62.1° | 161.0° |
| C10 | C11 | H19 | H20 | 118.8° | 120.0° |
| C10 | C11 | C12 | H21 | 60.4° | 38.5° |
| C11 | C10 | C14 | H22 | 22.4° | 59.6° |
| C11 | C10 | N | H35 | 60.6° | 98.2° |
| C12 | C11 | C10 | N | 50.3° | 172.8° |
| C11 | C12 | C13 | O1 | 46.2° | 45.0° |
| C11 | C12 | C13 | C26 | 122.9° | 118.7° |
| C11 | C12 | C13 | H21 | 120.7° | 122.6° |
| C11 | C12 | C13 | N1 | 134.0° | 134.9° |
| C11 | C12 | C26 | H21 | 122.4° | 122.6° |
| C11 | C12 | C26 | C25 | 137.5° | 143.5° |
| C11 | C12 | C26 | H6 | 18.2° | 25.4° |
| C11 | C12 | C26 | H7 | 103.1° | 98.4° |
| C12 | C11 | C10 | H12 | 69.5° | 52.8° |
| C12 | C11 | H19 | H20 | 118.8° | 120.0° |
| C10 | N | C17 | H35 | 180.0° | 180.0° |
| C10 | N | C17 | O4 | 1.5° | 5.3° |
| C10 | N | C17 | C2 | 179.2° | 174.7° |
| N | C10 | C11 | H19 | 70.1° | 52.7° |
| N | C10 | C11 | H20 | 170.7° | 67.2° |
| N | C10 | C14 | H22 | 103.8° | 60.3° |
| O1 | C13 | C12 | N1 | 179.8° | 179.9° |
| O1 | C13 | C12 | C26 | 169.1° | 163.7° |
| O1 | C13 | N1 | C25 | 179.9° | 179.6° |
| O1 | C13 | C12 | H21 | 74.5° | 77.6° |
| O1 | C13 | N1 | H28 | 0.1° | 0.3° |
| C13 | C12 | C26 | H21 | 116.8° | 118.8° |
| C13 | C12 | C26 | C25 | 16.7° | 24.8° |
| C12 | C13 | N1 | C25 | 0.4° | 0.4° |
| C13 | C12 | C26 | H6 | 102.6° | 93.3° |
| C13 | C12 | C26 | H7 | 136.1° | 143.0° |
| C13 | C12 | C11 | H19 | 60.9° | 35.8° |
| C13 | C12 | C11 | H20 | 58.3° | 155.8° |
| C12 | C13 | N1 | H28 | 179.6° | 179.6° |
| N1 | C13 | C12 | C26 | 11.1° | 16.2° |
| C13 | N1 | C25 | C26 | 10.5° | 17.0° |
| C13 | N1 | C25 | H28 | 180.0° | 179.9° |
| N1 | C13 | C12 | H21 | 105.3° | 102.5° |
| C13 | N1 | C25 | H33 | 129.7° | 136.0° |
| C13 | N1 | C25 | H34 | 108.6° | 102.0° |
| N | C17 | O4 | C2 | 179.3° | 180.0° |
| N | C17 | C2 | C3 | 111.7° | 60.0° |
| N | C17 | C2 | N2 | 125.7° | 180.0° |
| C17 | N | C10 | H12 | 0.2° | 38.1° |
| N | C17 | C2 | H16 | 3.3° | 60.0° |
| C12 | C26 | C25 | H6 | 119.3° | 118.1° |
| C12 | C26 | C25 | H7 | 119.3° | 118.2° |
| C12 | C26 | C25 | N1 | 16.7° | 25.4° |
| C12 | C26 | H6 | H7 | 121.9° | 123.8° |
| C26 | C12 | C11 | H19 | 177.5° | 78.9° |
| C26 | C12 | C11 | H20 | 58.3° | 41.0° |
| C12 | C26 | C25 | H33 | 135.8° | 144.4° |
| C12 | C26 | C25 | H34 | 102.5° | 93.6° |
| C26 | C25 | N1 | H33 | 119.1° | 119.0° |
| C26 | C25 | N1 | H34 | 119.2° | 119.0° |
| C25 | C26 | H6 | H7 | 121.9° | 123.9° |
| C25 | C26 | C12 | H21 | 100.0° | 94.0° |
| C26 | C25 | N1 | H28 | 169.4° | 163.0° |
| C26 | C25 | H33 | H34 | 122.5° | 122.0° |
| N1 | C25 | C26 | H6 | 102.7° | 92.6° |
| N1 | C25 | C26 | H7 | 136.0° | 143.6° |
| N1 | C25 | H33 | H34 | 122.4° | 122.0° |
| O4 | C17 | C2 | C3 | 68.9° | 120.0° |
| O4 | C17 | C2 | N2 | 53.7° | 0.1° |
| O4 | C17 | C2 | H16 | 176.1° | 120.0° |
| O4 | C17 | N | H35 | 178.5° | 174.7° |
| C17 | C2 | C3 | N2 | 125.2° | 120.0° |
| C17 | C2 | C3 | H16 | 115.2° | 120.1° |
| C17 | C2 | C3 | C4 | 170.2° | 175.0° |
| C17 | C2 | N2 | H16 | 122.2° | 120.0° |
| C17 | C2 | N2 | C20 | 54.0° | 155.0° |
| C17 | C2 | C3 | H17 | 68.8° | 64.9° |
| C17 | C2 | C3 | H18 | 49.1° | 55.0° |
| C17 | C2 | N2 | H32 | 126.0° | 25.1° |
| C2 | C17 | N | H35 | 0.8° | 5.3° |
| C2 | C3 | C4 | H17 | 121.1° | 120.0° |
| C2 | C3 | C4 | H18 | 121.1° | 120.0° |
| C3 | C2 | N2 | H16 | 119.0° | 120.0° |
| C2 | C3 | C4 | C5 | 44.4° | 90.0° |
| C2 | C3 | C4 | C9 | 137.0° | 89.7° |
| C3 | C2 | N2 | C20 | 172.8° | 85.0° |
| C2 | C3 | H17 | H18 | 116.6° | 120.0° |
| C3 | C2 | N2 | H32 | 7.2° | 95.0° |
| C4 | C3 | C2 | N2 | 64.6° | 65.0° |
| C3 | C4 | C5 | C9 | 178.6° | 179.8° |
| C3 | C4 | C5 | C6 | 179.3° | 180.0° |
| C3 | C4 | C9 | C8 | 179.8° | 180.0° |
| C3 | C4 | C5 | H14 | 0.7° | 0.0° |
| C4 | C3 | C2 | H16 | 54.9° | 54.9° |
| C4 | C3 | H17 | H18 | 116.6° | 120.0° |
| C3 | C4 | C9 | H27 | 0.2° | 0.2° |
| C2 | N2 | C20 | O21 | 2.1° | 0.1° |
| C2 | N2 | C20 | H32 | 180.0° | 179.9° |
| C2 | N2 | C20 | C22 | 179.8° | 180.0° |
| N2 | C2 | C3 | H17 | 56.4° | 55.0° |
| N2 | C2 | C3 | H18 | 174.3° | 175.0° |
| C4 | C5 | C6 | H14 | 180.0° | 179.9° |
| C5 | C4 | C9 | C8 | 1.1° | 0.3° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C4 | C5 | C6 | H15 | 179.9° | 180.0° |
| C5 | C4 | C3 | H17 | 165.4° | 30.0° |
| C5 | C4 | C3 | H18 | 76.7° | 150.0° |
| C5 | C4 | C9 | H27 | 178.9° | 180.0° |
| C9 | C4 | C5 | C6 | 0.7° | 0.3° |
| C4 | C9 | C8 | H27 | 180.0° | 179.8° |
| C4 | C9 | C8 | C7 | 0.8° | 0.0° |
| C9 | C4 | C5 | H14 | 179.3° | 179.8° |
| C9 | C4 | C3 | H17 | 15.9° | 150.2° |
| C9 | C4 | C3 | H18 | 101.9° | 30.2° |
| C4 | C9 | C8 | H26 | 179.2° | 180.0° |
| C5 | C6 | C7 | H15 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.4° | 0.3° |
| C5 | C6 | C7 | H13 | 179.6° | 180.0° |
| O21 | C20 | N2 | C22 | 178.2° | 180.0° |
| O21 | C20 | C22 | O5 | 161.4° | 180.0° |
| O21 | C20 | C22 | N6 | 18.6° | 0.0° |
| O21 | C20 | N2 | H32 | 177.9° | 180.0° |
| C9 | C8 | C7 | C6 | 0.0° | 0.3° |
| C9 | C8 | C7 | H26 | 180.0° | 180.0° |
| C9 | C8 | C7 | H13 | 180.0° | 180.0° |
| N2 | C20 | C22 | O5 | 16.7° | 0.0° |
| N2 | C20 | C22 | N6 | 163.4° | 180.0° |
| C20 | N2 | C2 | H16 | 68.2° | 35.0° |
| C20 | C22 | O5 | N6 | 180.0° | 180.0° |
| C20 | C22 | N6 | C21 | 0.5° | 180.0° |
| C22 | C20 | N2 | H32 | 0.2° | 0.0° |
| C20 | C22 | N6 | H36 | 179.6° | 0.0° |
| C6 | C7 | C8 | H13 | 180.0° | 179.7° |
| C7 | C6 | C5 | H14 | 179.9° | 179.9° |
| C6 | C7 | C8 | H26 | 180.0° | 179.8° |
| C8 | C7 | C6 | H15 | 179.6° | 179.7° |
| C7 | C8 | C9 | H27 | 179.2° | 179.8° |
| O5 | C22 | N6 | C21 | 179.6° | 0.0° |
| O5 | C22 | N6 | H36 | 0.4° | 180.0° |
| C22 | N6 | C21 | H36 | 180.0° | 180.0° |
| C22 | N6 | C21 | C23 | 146.5° | 180.0° |
| C22 | N6 | C21 | H2 | 26.7° | 60.0° |
| C22 | N6 | C21 | H3 | 93.6° | 59.9° |
| N6 | C21 | C23 | H2 | 119.9° | 120.0° |
| N6 | C21 | C23 | H3 | 119.9° | 120.1° |
| N6 | C21 | C23 | C24 | 144.0° | 175.0° |
| N6 | C21 | C23 | C28 | 43.1° | 87.5° |
| N6 | C21 | C23 | H1 | 86.2° | 43.7° |
| N6 | C21 | H2 | H3 | 120.5° | 120.0° |
| C21 | C23 | C24 | C28 | 116.6° | 114.5° |
| C21 | C23 | C24 | H1 | 129.9° | 131.0° |
| C21 | C23 | C28 | H1 | 129.3° | 130.9° |
| C21 | C23 | C24 | C27 | 115.3° | 139.9° |
| C21 | C23 | C28 | C27 | 116.0° | 140.0° |
| C23 | C21 | H2 | H3 | 120.4° | 120.0° |
| C21 | C23 | C24 | H4 | 1.5° | 25.4° |
| C21 | C23 | C24 | H5 | 128.0° | 105.5° |
| C23 | C21 | N6 | H36 | 33.5° | 0.0° |
| C21 | C23 | C28 | H37 | 127.2° | 105.5° |
| C21 | C23 | C28 | H38 | 0.8° | 25.5° |
| C24 | C23 | C28 | H1 | 113.4° | 114.5° |
| C23 | C24 | C27 | H4 | 116.8° | 114.5° |
| C23 | C24 | C27 | H5 | 116.8° | 114.5° |
| C24 | C23 | C28 | C27 | 1.3° | 25.4° |
| C24 | C23 | C21 | H2 | 24.1° | 55.1° |
| C24 | C23 | C21 | H3 | 96.1° | 64.9° |
| C23 | C24 | H4 | H5 | 128.7° | 131.2° |
| C23 | C24 | C27 | H8 | 115.1° | 140.0° |
| C23 | C24 | C27 | H9 | 117.6° | 89.2° |
| C24 | C23 | C28 | H37 | 115.5° | 140.0° |
| C24 | C23 | C28 | H38 | 118.1° | 89.1° |
| C23 | C28 | C27 | H37 | 116.8° | 114.6° |
| C23 | C28 | C27 | H38 | 116.8° | 114.6° |
| C28 | C23 | C21 | H2 | 76.7° | 152.5° |
| C28 | C23 | C21 | H3 | 163.0° | 32.5° |
| C28 | C23 | C24 | H4 | 118.1° | 89.1° |
| C28 | C23 | C24 | H5 | 115.5° | 140.0° |
| C23 | C28 | C27 | H8 | 115.1° | 140.0° |
| C23 | C28 | C27 | H9 | 117.7° | 89.1° |
| C23 | C28 | H37 | H38 | 128.7° | 131.3° |
| C24 | C27 | C28 | H8 | 116.4° | 114.5° |
| C24 | C27 | C28 | H9 | 116.4° | 114.6° |
| C27 | C24 | C23 | H1 | 114.8° | 89.1° |
| C27 | C24 | H4 | H5 | 128.8° | 131.3° |
| C24 | C27 | H8 | H9 | 129.7° | 131.2° |
| C24 | C27 | C28 | H37 | 115.5° | 140.0° |
| C24 | C27 | C28 | H38 | 118.1° | 89.1° |
| C27 | C28 | C23 | H1 | 114.7° | 89.1° |
| C28 | C27 | C24 | H4 | 118.0° | 89.1° |
| C28 | C27 | C24 | H5 | 115.5° | 139.9° |
| C28 | C27 | H8 | H9 | 129.7° | 131.3° |
| C27 | C28 | H37 | H38 | 128.7° | 131.2° |
| H1 | C23 | C21 | H2 | 154.0° | 76.2° |
| H1 | C23 | C21 | H3 | 33.7° | 163.8° |
| H1 | C23 | C24 | H4 | 128.4° | 156.4° |
| H1 | C23 | C24 | H5 | 2.0° | 25.5° |
| H1 | C23 | C28 | H37 | 2.1° | 25.4° |
| H1 | C23 | C28 | H38 | 128.5° | 156.4° |
| H2 | C21 | N6 | H36 | 153.3° | 120.0° |
| H3 | C21 | N6 | H36 | 86.4° | 120.0° |
| H4 | C24 | C27 | H8 | 1.7° | 25.5° |
| H4 | C24 | C27 | H9 | 125.6° | 156.3° |
| H5 | C24 | C27 | H8 | 128.1° | 105.5° |
| H5 | C24 | C27 | H9 | 0.9° | 25.3° |
| H6 | C26 | C12 | H21 | 140.6° | 147.9° |
| H6 | C26 | C25 | H33 | 16.5° | 26.3° |
| H6 | C26 | C25 | H34 | 138.2° | 148.3° |
| H7 | C26 | C12 | H21 | 19.3° | 24.2° |
| H7 | C26 | C25 | H33 | 104.9° | 97.4° |
| H7 | C26 | C25 | H34 | 16.9° | 24.6° |
| H8 | C27 | C28 | H37 | 128.1° | 105.5° |
| H8 | C27 | C28 | H38 | 1.7° | 25.4° |
| H9 | C27 | C28 | H37 | 0.8° | 25.4° |
| H9 | C27 | C28 | H38 | 125.5° | 156.3° |
| H10 | C18 | C19 | H29 | 60.0° | 59.9° |
| H10 | C18 | C19 | H30 | 60.0° | 180.0° |
| H10 | C18 | C19 | H31 | 180.0° | 60.0° |
| H11 | C18 | C19 | H29 | 60.0° | 60.0° |
| H11 | C18 | C19 | H30 | 180.0° | 60.1° |
| H11 | C18 | C19 | H31 | 60.0° | 180.0° |
| H12 | C10 | C11 | H19 | 170.1° | 67.3° |
| H12 | C10 | C11 | H20 | 50.9° | 172.8° |
| H12 | C10 | C14 | H22 | 139.5° | 179.6° |
| H12 | C10 | N | H35 | 179.8° | 141.9° |
| H13 | C7 | C6 | H15 | 0.4° | 0.0° |
| H13 | C7 | C8 | H26 | 0.0° | 0.0° |
| H14 | C5 | C6 | H15 | 0.1° | 0.1° |
| H16 | C2 | C3 | H17 | 176.0° | 175.0° |
| H16 | C2 | C3 | H18 | 66.2° | 65.0° |
| H16 | C2 | N2 | H32 | 111.8° | 145.0° |
| H19 | C11 | C12 | H21 | 60.1° | 158.5° |
| H20 | C11 | C12 | H21 | 179.3° | 81.5° |
| H22 | C14 | C15 | H24 | 66.6° | 16.7° |
| H26 | C8 | C9 | H27 | 0.8° | 0.2° |
| H28 | N1 | C25 | H33 | 50.3° | 44.0° |
| H28 | N1 | C25 | H34 | 71.4° | 78.0° |
| H29 | C19 | H30 | H31 | 120.0° | 120.0° |
