EP9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | O5 | doub | 1.22Å | 1.37Å | |
| O4 | C15 | sing | 1.35Å | 1.48Å | |
| O4 | C16 | sing | 1.45Å | 1.52Å | |
| C16 | C17 | sing | 1.51Å | 1.59Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.38Å | 1.47Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.48Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | sing | 1.38Å | 1.48Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C20 | doub | 1.38Å | 1.48Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C17 | doub | 1.38Å | 1.47Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.55Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| N3 | C15 | sing | 1.35Å | 1.38Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| C14 | N3 | sing | 1.47Å | 1.46Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.60Å | |
| O6 | C13 | doub | 1.21Å | 1.32Å | |
| C23 | C14 | sing | 1.53Å | 1.56Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | C24 | sing | 1.53Å | 1.56Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | C24 | sing | 1.53Å | 1.56Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| N2 | C13 | sing | 1.35Å | 1.36Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C12 | C27 | sing | 1.53Å | 1.60Å | |
| C12 | N2 | sing | 1.46Å | 1.42Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| O7 | C11 | doub | 1.21Å | 1.30Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | C27 | sing | 1.53Å | 1.61Å | |
| C28 | C30 | sing | 1.53Å | 1.63Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | C28 | sing | 1.53Å | 1.61Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C1 | C3 | sing | 1.53Å | 1.64Å | |
| C1 | H43 | sing | 1.09Å | 1.10Å | |
| O1 | C1 | sing | 1.43Å | 1.49Å | |
| O1 | H41 | sing | 0.97Å | 0.95Å | |
| O2 | C2 | doub | 1.21Å | 1.43Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C3 | N1 | sing | 1.46Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.53Å | 1.60Å | |
| C4 | C5 | sing | 1.51Å | 1.58Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | C10 | sing | 1.38Å | 1.47Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.45Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.47Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.39Å | 1.49Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.39Å | 1.43Å | Aromatic |
| C8 | O3 | sing | 1.36Å | 1.45Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C9 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N1 | C11 | sing | 1.35Å | 1.37Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| C2 | H42 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C15 | O4 | 112.1° | 120.0° |
| O5 | C15 | N3 | 115.6° | 120.0° |
| C15 | O4 | C16 | 117.7° | 117.0° |
| O4 | C15 | N3 | 129.7° | 120.0° |
| O4 | C16 | C17 | 108.0° | 109.5° |
| O4 | C16 | H16 | 110.0° | 109.4° |
| O4 | C16 | H17 | 110.0° | 109.5° |
| C17 | C16 | H16 | 110.0° | 109.5° |
| C17 | C16 | H17 | 110.0° | 109.5° |
| C16 | C17 | C18 | 116.0° | 120.0° |
| C16 | C17 | C22 | 125.7° | 120.0° |
| H16 | C16 | H17 | 108.9° | 109.5° |
| C17 | C18 | C19 | 123.2° | 119.9° |
| C17 | C18 | H18 | 118.4° | 120.0° |
| C18 | C17 | C22 | 118.2° | 120.1° |
| C19 | C18 | H18 | 118.4° | 120.0° |
| C18 | C19 | H19 | 119.8° | 120.0° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| H19 | C19 | C20 | 119.8° | 120.0° |
| C19 | C20 | H20 | 121.3° | 120.0° |
| C19 | C20 | C21 | 117.5° | 120.0° |
| H20 | C20 | C21 | 121.3° | 120.0° |
| C20 | C21 | H21 | 119.6° | 120.0° |
| C20 | C21 | C22 | 120.8° | 120.1° |
| H21 | C21 | C22 | 119.6° | 120.0° |
| C17 | C22 | C21 | 118.7° | 119.9° |
| C17 | C22 | H22 | 120.6° | 120.1° |
| C21 | C22 | H22 | 120.6° | 120.0° |
| C15 | N3 | H15 | 123.3° | 120.1° |
| C15 | N3 | C14 | 113.4° | 120.0° |
| H15 | N3 | C14 | 123.3° | 119.9° |
| N3 | C14 | H14 | 109.0° | 109.5° |
| N3 | C14 | C13 | 107.8° | 109.5° |
| N3 | C14 | C23 | 111.6° | 109.5° |
| H14 | C14 | C13 | 111.6° | 109.5° |
| H14 | C14 | C23 | 107.9° | 109.5° |
| C14 | C13 | O6 | 115.4° | 120.0° |
| C13 | C14 | C23 | 109.0° | 109.5° |
| C14 | C13 | N2 | 114.6° | 120.0° |
| O6 | C13 | N2 | 118.8° | 120.0° |
| C14 | C23 | C24 | 108.9° | 109.5° |
| C14 | C23 | H23 | 109.7° | 109.5° |
| C14 | C23 | H24 | 109.7° | 109.5° |
| C24 | C23 | H23 | 109.7° | 109.5° |
| C24 | C23 | H24 | 109.7° | 109.5° |
| C23 | C24 | H25 | 111.6° | 109.4° |
| C23 | C24 | C25 | 105.5° | 109.5° |
| C23 | C24 | C26 | 110.7° | 109.5° |
| H23 | C23 | H24 | 109.3° | 109.5° |
| H25 | C24 | C25 | 111.9° | 109.5° |
| H25 | C24 | C26 | 106.9° | 109.5° |
| C24 | C25 | H26 | 109.5° | 109.4° |
| C24 | C25 | H27 | 109.5° | 109.5° |
| C24 | C25 | H28 | 109.5° | 109.4° |
| C25 | C24 | C26 | 110.3° | 109.5° |
| H26 | C25 | H27 | 109.4° | 109.4° |
| H26 | C25 | H28 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.6° |
| C24 | C26 | H29 | 109.5° | 109.5° |
| C24 | C26 | H30 | 109.5° | 109.5° |
| C24 | C26 | H31 | 109.5° | 109.5° |
| H29 | C26 | H30 | 109.5° | 109.4° |
| H29 | C26 | H31 | 109.4° | 109.5° |
| H30 | C26 | H31 | 109.4° | 109.5° |
| C13 | N2 | H13 | 118.9° | 119.9° |
| C13 | N2 | C12 | 122.2° | 120.0° |
| H13 | N2 | C12 | 118.9° | 120.0° |
| C27 | C12 | N2 | 98.8° | 109.5° |
| C27 | C12 | H12 | 112.7° | 109.5° |
| C27 | C12 | C11 | 112.3° | 109.5° |
| C12 | C27 | H32 | 108.5° | 109.5° |
| C12 | C27 | H33 | 108.5° | 109.5° |
| C12 | C27 | C28 | 112.5° | 109.5° |
| N2 | C12 | H12 | 120.4° | 109.5° |
| N2 | C12 | C11 | 103.4° | 109.5° |
| H12 | C12 | C11 | 108.7° | 109.5° |
| C12 | C11 | O7 | 115.9° | 120.0° |
| C12 | C11 | N1 | 120.9° | 120.0° |
| O7 | C11 | N1 | 120.8° | 120.0° |
| H32 | C27 | H33 | 110.5° | 109.4° |
| H32 | C27 | C28 | 108.5° | 109.4° |
| H33 | C27 | C28 | 108.4° | 109.5° |
| C27 | C28 | C30 | 108.9° | 109.5° |
| C27 | C28 | H34 | 111.0° | 109.4° |
| C27 | C28 | C29 | 108.0° | 109.5° |
| C30 | C28 | H34 | 109.0° | 109.5° |
| C30 | C28 | C29 | 110.0° | 109.5° |
| C28 | C30 | H38 | 109.5° | 109.5° |
| C28 | C30 | H39 | 109.5° | 109.5° |
| C28 | C30 | H40 | 109.5° | 109.5° |
| H34 | C28 | C29 | 110.0° | 109.4° |
| C28 | C29 | H35 | 109.5° | 109.4° |
| C28 | C29 | H36 | 109.5° | 109.5° |
| C28 | C29 | H37 | 109.5° | 109.5° |
| H35 | C29 | H36 | 109.4° | 109.4° |
| H35 | C29 | H37 | 109.5° | 109.5° |
| H36 | C29 | H37 | 109.5° | 109.5° |
| H38 | C30 | H39 | 109.5° | 109.5° |
| H38 | C30 | H40 | 109.5° | 109.4° |
| H39 | C30 | H40 | 109.5° | 109.5° |
| C3 | C1 | H43 | 106.8° | 109.5° |
| C3 | C1 | O1 | 105.2° | 109.5° |
| C3 | C1 | C2 | 118.2° | 109.5° |
| C1 | C3 | N1 | 113.3° | 109.5° |
| C1 | C3 | H3 | 105.1° | 109.4° |
| C1 | C3 | C4 | 109.4° | 109.5° |
| H43 | C1 | O1 | 115.3° | 109.4° |
| H43 | C1 | C2 | 101.5° | 109.5° |
| C1 | O1 | H41 | 109.5° | 114.0° |
| O1 | C1 | C2 | 110.2° | 109.5° |
| O2 | C2 | C1 | 125.3° | 120.0° |
| O2 | C2 | H42 | 117.3° | 120.0° |
| C1 | C2 | H42 | 117.3° | 120.0° |
| N1 | C3 | H3 | 111.2° | 109.5° |
| N1 | C3 | C4 | 103.1° | 109.5° |
| C3 | N1 | C11 | 121.7° | 120.0° |
| C3 | N1 | H11 | 119.2° | 120.0° |
| H3 | C3 | C4 | 115.0° | 109.4° |
| C3 | C4 | C5 | 112.1° | 109.4° |
| C3 | C4 | H4 | 108.6° | 109.5° |
| C3 | C4 | H5 | 108.6° | 109.5° |
| C5 | C4 | H4 | 108.6° | 109.5° |
| C5 | C4 | H5 | 108.6° | 109.5° |
| C4 | C5 | C10 | 121.1° | 119.9° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| H4 | C4 | H5 | 110.3° | 109.5° |
| C10 | C5 | C6 | 118.4° | 120.1° |
| C5 | C10 | C9 | 122.6° | 120.0° |
| C5 | C10 | H10 | 118.7° | 120.0° |
| C5 | C6 | C7 | 119.9° | 120.1° |
| C5 | C6 | H6 | 120.1° | 120.0° |
| C7 | C6 | H6 | 120.0° | 119.9° |
| C6 | C7 | C8 | 119.3° | 120.0° |
| C6 | C7 | H7 | 120.4° | 120.1° |
| C8 | C7 | H7 | 120.3° | 120.0° |
| C7 | C8 | C9 | 120.0° | 119.9° |
| C7 | C8 | O3 | 121.0° | 120.1° |
| C9 | C8 | O3 | 119.0° | 120.1° |
| C8 | C9 | H9 | 120.2° | 120.0° |
| C8 | C9 | C10 | 119.6° | 119.9° |
| C8 | O3 | H8 | 109.5° | 114.0° |
| H9 | C9 | C10 | 120.2° | 120.0° |
| C9 | C10 | H10 | 118.7° | 119.9° |
| C11 | N1 | H11 | 119.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C15 | O4 | N3 | 160.4° | 179.8° |
| O5 | C15 | O4 | C16 | 37.5° | 0.1° |
| O5 | C15 | N3 | H15 | 19.9° | 180.0° |
| O5 | C15 | N3 | C14 | 160.2° | 0.0° |
| C15 | O4 | C16 | C17 | 149.8° | 180.0° |
| C15 | O4 | C16 | H16 | 90.2° | 60.1° |
| C15 | O4 | C16 | H17 | 29.8° | 59.9° |
| O4 | C15 | N3 | H15 | 179.8° | 0.2° |
| O4 | C15 | N3 | C14 | 0.3° | 179.8° |
| O4 | C16 | C17 | H16 | 120.0° | 119.9° |
| O4 | C16 | C17 | H17 | 120.0° | 120.0° |
| O4 | C16 | H16 | H17 | 120.6° | 120.0° |
| O4 | C16 | C17 | C18 | 111.0° | 90.0° |
| O4 | C16 | C17 | C22 | 72.6° | 90.3° |
| C16 | O4 | C15 | N3 | 162.0° | 179.7° |
| C17 | C16 | H16 | H17 | 120.6° | 120.0° |
| C16 | C17 | C18 | C22 | 176.7° | 179.7° |
| C16 | C17 | C18 | C19 | 179.0° | 180.0° |
| C16 | C17 | C18 | H18 | 1.1° | 0.0° |
| C16 | C17 | C22 | C21 | 172.3° | 179.7° |
| C16 | C17 | C22 | H22 | 7.7° | 0.1° |
| H16 | C16 | C17 | C18 | 129.0° | 30.0° |
| H16 | C16 | C17 | C22 | 47.4° | 149.7° |
| H17 | C16 | C17 | C18 | 9.0° | 150.0° |
| H17 | C16 | C17 | C22 | 167.4° | 29.7° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | H19 | 175.0° | 180.0° |
| C17 | C18 | C19 | C20 | 5.0° | 0.0° |
| C18 | C17 | C22 | C21 | 4.0° | 0.6° |
| C18 | C17 | C22 | H22 | 176.0° | 179.8° |
| C18 | C19 | H19 | C20 | 180.0° | 180.0° |
| C18 | C19 | C20 | H20 | 176.9° | 180.0° |
| C18 | C19 | C20 | C21 | 3.1° | 0.0° |
| C19 | C18 | C17 | C22 | 4.3° | 0.3° |
| H18 | C18 | C19 | H19 | 5.0° | 0.0° |
| H18 | C18 | C19 | C20 | 175.0° | 180.0° |
| H18 | C18 | C17 | C22 | 175.7° | 179.7° |
| H19 | C19 | C20 | H20 | 3.1° | 0.0° |
| H19 | C19 | C20 | C21 | 176.9° | 180.0° |
| C19 | C20 | H20 | C21 | 180.0° | 180.0° |
| C19 | C20 | C21 | H21 | 168.6° | 180.0° |
| C19 | C20 | C21 | C22 | 11.4° | 0.3° |
| H20 | C20 | C21 | H21 | 11.5° | 0.0° |
| H20 | C20 | C21 | C22 | 168.5° | 179.7° |
| C20 | C21 | H21 | C22 | 180.0° | 179.7° |
| C20 | C21 | C22 | C17 | 12.1° | 0.6° |
| C20 | C21 | C22 | H22 | 167.9° | 179.7° |
| H21 | C21 | C22 | C17 | 167.9° | 179.7° |
| H21 | C21 | C22 | H22 | 12.1° | 0.1° |
| C17 | C22 | C21 | H22 | 180.0° | 179.6° |
| C15 | N3 | H15 | C14 | 179.9° | 179.9° |
| C15 | N3 | C14 | H14 | 39.9° | 35.0° |
| C15 | N3 | C14 | C13 | 81.4° | 155.0° |
| C15 | N3 | C14 | C23 | 158.9° | 85.0° |
| H15 | N3 | C14 | H14 | 140.2° | 145.0° |
| H15 | N3 | C14 | C13 | 98.5° | 25.0° |
| H15 | N3 | C14 | C23 | 21.2° | 95.0° |
| N3 | C14 | H14 | C13 | 119.0° | 120.0° |
| N3 | C14 | H14 | C23 | 121.3° | 120.0° |
| N3 | C14 | C13 | C23 | 121.3° | 120.0° |
| N3 | C14 | C13 | O6 | 52.1° | 0.0° |
| N3 | C14 | C23 | C24 | 57.5° | 65.0° |
| N3 | C14 | C23 | H23 | 62.5° | 55.0° |
| N3 | C14 | C23 | H24 | 177.5° | 175.0° |
| N3 | C14 | C13 | N2 | 164.5° | 180.0° |
| H14 | C14 | C13 | C23 | 119.0° | 120.0° |
| H14 | C14 | C13 | O6 | 171.8° | 120.0° |
| H14 | C14 | C23 | C24 | 62.2° | 55.0° |
| H14 | C14 | C23 | H23 | 177.8° | 175.0° |
| H14 | C14 | C23 | H24 | 57.8° | 65.0° |
| H14 | C14 | C13 | N2 | 44.8° | 60.0° |
| C14 | C13 | O6 | N2 | 141.8° | 180.0° |
| C13 | C14 | C23 | C24 | 176.5° | 175.0° |
| C13 | C14 | C23 | H23 | 56.5° | 65.0° |
| C13 | C14 | C23 | H24 | 63.5° | 55.0° |
| C14 | C13 | N2 | H13 | 10.2° | 0.0° |
| C14 | C13 | N2 | C12 | 169.8° | 180.0° |
| O6 | C13 | C14 | C23 | 69.2° | 120.0° |
| O6 | C13 | N2 | H13 | 152.3° | 179.9° |
| O6 | C13 | N2 | C12 | 27.7° | 0.0° |
| C14 | C23 | C24 | H23 | 120.0° | 120.0° |
| C14 | C23 | C24 | H24 | 120.0° | 120.0° |
| C14 | C23 | H23 | H24 | 120.2° | 120.0° |
| C14 | C23 | C24 | H25 | 18.6° | 55.0° |
| C14 | C23 | C24 | C25 | 140.4° | 175.0° |
| C14 | C23 | C24 | C26 | 100.3° | 65.0° |
| C23 | C14 | C13 | N2 | 74.2° | 60.0° |
| C24 | C23 | H23 | H24 | 120.2° | 120.0° |
| C23 | C24 | H25 | C25 | 118.0° | 120.0° |
| C23 | C24 | H25 | C26 | 121.1° | 120.0° |
| C23 | C24 | C25 | C26 | 119.6° | 120.0° |
| C23 | C24 | C25 | H26 | 180.0° | 60.0° |
| C23 | C24 | C25 | H27 | 60.0° | 179.9° |
| C23 | C24 | C25 | H28 | 60.0° | 60.0° |
| C23 | C24 | C26 | H29 | 180.0° | 60.0° |
| C23 | C24 | C26 | H30 | 60.0° | 60.0° |
| C23 | C24 | C26 | H31 | 60.0° | 180.0° |
| H23 | C23 | C24 | H25 | 101.4° | 65.0° |
| H23 | C23 | C24 | C25 | 20.4° | 55.0° |
| H23 | C23 | C24 | C26 | 139.7° | 175.0° |
| H24 | C23 | C24 | H25 | 138.6° | 175.0° |
| H24 | C23 | C24 | C25 | 99.6° | 65.0° |
| H24 | C23 | C24 | C26 | 19.7° | 55.0° |
| H25 | C24 | C25 | C26 | 118.9° | 120.0° |
| H25 | C24 | C25 | H26 | 58.4° | 180.0° |
| H25 | C24 | C25 | H27 | 61.5° | 60.1° |
| H25 | C24 | C25 | H28 | 178.5° | 60.0° |
| H25 | C24 | C26 | H29 | 58.3° | 179.9° |
| H25 | C24 | C26 | H30 | 178.3° | 60.0° |
| H25 | C24 | C26 | H31 | 61.7° | 60.0° |
| C24 | C25 | H26 | H27 | 120.0° | 119.9° |
| C24 | C25 | H26 | H28 | 120.0° | 120.0° |
| C24 | C25 | H27 | H28 | 120.0° | 120.0° |
| C25 | C24 | C26 | H29 | 63.6° | 60.0° |
| C25 | C24 | C26 | H30 | 56.4° | 180.0° |
| C25 | C24 | C26 | H31 | 176.4° | 60.0° |
| H26 | C25 | H27 | H28 | 120.0° | 120.1° |
| H26 | C25 | C24 | C26 | 60.5° | 60.0° |
| H27 | C25 | C24 | C26 | 179.6° | 59.9° |
| H28 | C25 | C24 | C26 | 59.6° | 180.0° |
| C24 | C26 | H29 | H30 | 120.0° | 120.0° |
| C24 | C26 | H29 | H31 | 120.0° | 120.0° |
| C24 | C26 | H30 | H31 | 120.0° | 120.0° |
| H29 | C26 | H30 | H31 | 120.0° | 120.0° |
| C13 | N2 | H13 | C12 | 180.0° | 180.0° |
| C13 | N2 | C12 | C27 | 128.6° | 85.0° |
| C13 | N2 | C12 | H12 | 5.7° | 35.0° |
| C13 | N2 | C12 | C11 | 115.8° | 155.0° |
| H13 | N2 | C12 | C27 | 51.4° | 95.0° |
| H13 | N2 | C12 | H12 | 174.3° | 145.1° |
| H13 | N2 | C12 | C11 | 64.2° | 25.0° |
| C27 | C12 | N2 | H12 | 122.9° | 120.0° |
| C27 | C12 | N2 | C11 | 115.6° | 120.0° |
| C27 | C12 | H12 | C11 | 125.1° | 120.0° |
| C27 | C12 | C11 | O7 | 13.3° | 120.0° |
| C12 | C27 | H32 | H33 | 118.8° | 120.0° |
| C12 | C27 | H32 | C28 | 122.5° | 120.0° |
| C12 | C27 | H33 | C28 | 122.5° | 120.1° |
| C12 | C27 | C28 | C30 | 55.4° | 65.0° |
| C12 | C27 | C28 | H34 | 175.4° | 55.0° |
| C12 | C27 | C28 | C29 | 64.0° | 175.0° |
| C27 | C12 | C11 | N1 | 149.4° | 60.0° |
| N2 | C12 | H12 | C11 | 118.9° | 120.0° |
| N2 | C12 | C11 | O7 | 92.3° | 0.0° |
| N2 | C12 | C27 | H32 | 28.2° | 55.0° |
| N2 | C12 | C27 | H33 | 91.8° | 175.0° |
| N2 | C12 | C27 | C28 | 148.2° | 65.0° |
| N2 | C12 | C11 | N1 | 105.1° | 180.0° |
| H12 | C12 | C11 | O7 | 138.6° | 120.0° |
| H12 | C12 | C27 | H32 | 100.1° | 175.0° |
| H12 | C12 | C27 | H33 | 139.8° | 65.1° |
| H12 | C12 | C27 | C28 | 19.8° | 55.0° |
| H12 | C12 | C11 | N1 | 24.0° | 60.0° |
| C12 | C11 | O7 | N1 | 162.7° | 180.0° |
| C11 | C12 | C27 | H32 | 136.7° | 65.0° |
| C11 | C12 | C27 | H33 | 16.7° | 55.0° |
| C11 | C12 | C27 | C28 | 103.3° | 175.0° |
| C12 | C11 | N1 | C3 | 147.3° | 180.0° |
| C12 | C11 | N1 | H11 | 32.7° | 0.0° |
| O7 | C11 | N1 | C3 | 14.5° | 0.1° |
| O7 | C11 | N1 | H11 | 165.5° | 180.0° |
| H32 | C27 | H33 | C28 | 118.7° | 119.9° |
| H32 | C27 | C28 | C30 | 64.6° | 175.0° |
| H32 | C27 | C28 | H34 | 55.4° | 65.0° |
| H32 | C27 | C28 | C29 | 176.0° | 54.9° |
| H33 | C27 | C28 | C30 | 175.4° | 55.1° |
| H33 | C27 | C28 | H34 | 64.6° | 175.1° |
| H33 | C27 | C28 | C29 | 56.0° | 65.0° |
| C27 | C28 | C30 | H34 | 121.2° | 119.9° |
| C27 | C28 | C30 | C29 | 118.2° | 120.1° |
| C27 | C28 | H34 | C29 | 119.4° | 120.0° |
| C27 | C28 | C29 | H35 | 180.0° | 60.0° |
| C27 | C28 | C29 | H36 | 60.0° | 180.0° |
| C27 | C28 | C29 | H37 | 60.0° | 59.9° |
| C27 | C28 | C30 | H38 | 180.0° | 60.1° |
| C27 | C28 | C30 | H39 | 60.0° | 59.9° |
| C27 | C28 | C30 | H40 | 60.0° | 180.0° |
| C30 | C28 | H34 | C29 | 120.6° | 120.0° |
| C30 | C28 | C29 | H35 | 61.3° | 60.0° |
| C30 | C28 | C29 | H36 | 178.8° | 59.9° |
| C30 | C28 | C29 | H37 | 58.8° | 180.0° |
| C28 | C30 | H38 | H39 | 120.0° | 120.0° |
| C28 | C30 | H38 | H40 | 120.0° | 120.0° |
| C28 | C30 | H39 | H40 | 120.0° | 120.1° |
| H34 | C28 | C29 | H35 | 58.8° | 180.0° |
| H34 | C28 | C29 | H36 | 61.2° | 60.1° |
| H34 | C28 | C29 | H37 | 178.8° | 60.0° |
| H34 | C28 | C30 | H38 | 58.8° | 180.0° |
| H34 | C28 | C30 | H39 | 178.8° | 60.0° |
| H34 | C28 | C30 | H40 | 61.2° | 60.0° |
| C28 | C29 | H35 | H36 | 120.0° | 120.0° |
| C28 | C29 | H35 | H37 | 120.0° | 120.0° |
| C28 | C29 | H36 | H37 | 120.0° | 120.1° |
| C29 | C28 | C30 | H38 | 61.8° | 60.0° |
| C29 | C28 | C30 | H39 | 58.2° | 180.0° |
| C29 | C28 | C30 | H40 | 178.2° | 59.9° |
| H35 | C29 | H36 | H37 | 120.0° | 120.0° |
| H38 | C30 | H39 | H40 | 120.0° | 119.9° |
| C3 | C1 | H43 | O1 | 116.5° | 120.0° |
| C3 | C1 | H43 | C2 | 124.4° | 120.0° |
| C3 | C1 | O1 | C2 | 128.5° | 120.0° |
| C3 | C1 | O1 | H41 | 134.7° | 60.0° |
| C3 | C1 | C2 | O2 | 135.0° | 120.0° |
| C1 | C3 | N1 | H3 | 118.2° | 120.0° |
| C1 | C3 | N1 | C4 | 118.1° | 120.0° |
| C1 | C3 | H3 | C4 | 120.3° | 120.0° |
| C1 | C3 | C4 | C5 | 170.2° | 175.0° |
| C1 | C3 | C4 | H4 | 69.8° | 65.0° |
| C1 | C3 | C4 | H5 | 50.2° | 55.0° |
| C1 | C3 | N1 | C11 | 59.4° | 85.0° |
| C1 | C3 | N1 | H11 | 120.6° | 95.0° |
| C3 | C1 | C2 | H42 | 45.0° | 59.9° |
| H43 | C1 | O1 | C2 | 114.1° | 120.0° |
| H43 | C1 | O1 | H41 | 107.9° | 180.0° |
| H43 | C1 | C2 | O2 | 108.6° | 120.0° |
| H43 | C1 | C3 | N1 | 27.6° | 60.0° |
| H43 | C1 | C3 | H3 | 149.2° | 179.9° |
| H43 | C1 | C3 | C4 | 86.8° | 60.0° |
| H43 | C1 | C2 | H42 | 71.3° | 60.0° |
| O1 | C1 | C2 | O2 | 14.0° | 0.0° |
| O1 | C1 | C3 | N1 | 150.6° | 180.0° |
| O1 | C1 | C3 | H3 | 87.7° | 60.0° |
| O1 | C1 | C3 | C4 | 36.3° | 60.0° |
| O1 | C1 | C2 | H42 | 166.0° | 180.0° |
| H41 | O1 | C1 | C2 | 6.2° | 60.0° |
| O2 | C2 | C1 | H42 | 180.0° | 180.0° |
| C2 | C1 | C3 | N1 | 85.9° | 60.0° |
| C2 | C1 | C3 | H3 | 35.8° | 60.1° |
| C2 | C1 | C3 | C4 | 159.8° | 180.0° |
| N1 | C3 | H3 | C4 | 116.7° | 120.0° |
| N1 | C3 | C4 | C5 | 69.0° | 65.0° |
| N1 | C3 | C4 | H4 | 51.0° | 55.0° |
| N1 | C3 | C4 | H5 | 171.0° | 175.0° |
| C3 | N1 | C11 | H11 | 180.0° | 179.9° |
| H3 | C3 | C4 | C5 | 52.2° | 55.0° |
| H3 | C3 | C4 | H4 | 172.2° | 175.0° |
| H3 | C3 | C4 | H5 | 67.8° | 64.9° |
| H3 | C3 | N1 | C11 | 58.8° | 35.0° |
| H3 | C3 | N1 | H11 | 121.2° | 145.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H5 | 120.0° | 120.0° |
| C3 | C4 | H4 | H5 | 118.9° | 120.0° |
| C3 | C4 | C5 | C10 | 0.8° | 90.0° |
| C3 | C4 | C5 | C6 | 176.1° | 89.7° |
| C4 | C3 | N1 | C11 | 177.5° | 155.0° |
| C4 | C3 | N1 | H11 | 2.5° | 25.0° |
| C5 | C4 | H4 | H5 | 118.9° | 120.0° |
| C4 | C5 | C10 | C6 | 175.3° | 179.7° |
| C4 | C5 | C6 | C7 | 177.6° | 180.0° |
| C4 | C5 | C6 | H6 | 2.4° | 0.1° |
| C4 | C5 | C10 | C9 | 178.9° | 179.8° |
| C4 | C5 | C10 | H10 | 1.1° | 0.0° |
| H4 | C4 | C5 | C10 | 120.8° | 30.0° |
| H4 | C4 | C5 | C6 | 64.0° | 150.3° |
| H5 | C4 | C5 | C10 | 119.2° | 150.0° |
| H5 | C4 | C5 | C6 | 56.1° | 30.3° |
| C10 | C5 | C6 | C7 | 2.3° | 0.3° |
| C10 | C5 | C6 | H6 | 177.7° | 179.8° |
| C5 | C10 | C9 | C8 | 4.7° | 0.5° |
| C5 | C10 | C9 | H9 | 175.3° | 179.7° |
| C5 | C10 | C9 | H10 | 180.0° | 179.8° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 2.0° | 0.1° |
| C5 | C6 | C7 | H7 | 178.0° | 179.9° |
| C6 | C5 | C10 | C9 | 5.8° | 0.5° |
| C6 | C5 | C10 | H10 | 174.2° | 179.7° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 3.1° | 0.0° |
| C6 | C7 | C8 | O3 | 173.7° | 180.0° |
| H6 | C6 | C7 | C8 | 178.0° | 180.0° |
| H6 | C6 | C7 | H7 | 2.0° | 0.0° |
| C7 | C8 | C9 | O3 | 176.8° | 180.0° |
| C7 | C8 | O3 | H8 | 180.0° | 90.0° |
| C7 | C8 | C9 | H9 | 179.8° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.2° |
| H7 | C7 | C8 | C9 | 176.9° | 180.0° |
| H7 | C7 | C8 | O3 | 6.3° | 0.0° |
| C9 | C8 | O3 | H8 | 3.2° | 90.0° |
| C8 | C9 | H9 | C10 | 180.0° | 179.8° |
| C8 | C9 | C10 | H10 | 175.3° | 179.8° |
| O3 | C8 | C9 | H9 | 3.0° | 0.0° |
| O3 | C8 | C9 | C10 | 177.0° | 179.8° |
| H9 | C9 | C10 | H10 | 4.7° | 0.0° |
