A1EEL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C12 | doub | 1.21Å | 1.22Å | |
| C12 | C11 | sing | 1.50Å | 1.51Å | |
| C12 | N14 | sing | 1.34Å | 1.35Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.55Å | |
| C32 | C34 | sing | 1.53Å | 1.55Å | |
| C31 | N14 | sing | 1.48Å | 1.48Å | |
| C31 | C29 | sing | 1.50Å | 1.52Å | |
| N14 | C15 | sing | 1.46Å | 1.47Å | |
| O30 | C29 | doub | 1.21Å | 1.22Å | |
| C10 | N9 | sing | 1.47Å | 1.47Å | |
| C29 | N17 | sing | 1.33Å | 1.37Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C15 | N9 | sing | 1.46Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| N9 | C7 | sing | 1.35Å | 1.37Å | |
| N6 | C7 | sing | 1.35Å | 1.35Å | |
| N6 | C5 | sing | 1.47Å | 1.45Å | |
| C7 | O8 | doub | 1.22Å | 1.22Å | |
| N17 | C16 | sing | 1.46Å | 1.47Å | |
| N17 | C18 | sing | 1.47Å | 1.47Å | |
| C5 | C3 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.58Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C27 | C26 | doub | 1.36Å | 1.37Å | Aromatic |
| C27 | C28 | sing | 1.41Å | 1.42Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | C28 | doub | 1.41Å | 1.43Å | Aromatic |
| C19 | C20 | sing | 1.36Å | 1.38Å | Aromatic |
| C28 | C23 | sing | 1.42Å | 1.43Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.36Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.42Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C26 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| N6 | H20 | sing | 0.97Å | 1.00Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C12 | C11 | 119.2° | 118.5° |
| O13 | C12 | N14 | 122.2° | 118.6° |
| C11 | C12 | N14 | 118.7° | 122.9° |
| C12 | C11 | C10 | 111.2° | 109.0° |
| C12 | C11 | H21 | 109.0° | 109.6° |
| C12 | C11 | H22 | 109.0° | 109.7° |
| C12 | N14 | C31 | 120.2° | 119.3° |
| C12 | N14 | C15 | 126.9° | 123.7° |
| C33 | C32 | C31 | 111.6° | 109.5° |
| C33 | C32 | C34 | 112.0° | 109.5° |
| C33 | C32 | H30 | 107.1° | 109.5° |
| C32 | C33 | H31 | 109.5° | 109.4° |
| C32 | C33 | H32 | 109.5° | 109.5° |
| C32 | C33 | H33 | 109.5° | 109.4° |
| C11 | C10 | N9 | 110.0° | 107.8° |
| C11 | C10 | H6 | 109.3° | 109.8° |
| C11 | C10 | H7 | 109.3° | 109.9° |
| C10 | C11 | H21 | 109.0° | 109.5° |
| C10 | C11 | H22 | 109.0° | 109.6° |
| C31 | C32 | C34 | 112.2° | 109.5° |
| C32 | C31 | N14 | 115.5° | 109.6° |
| C32 | C31 | C29 | 113.5° | 109.5° |
| C32 | C31 | H29 | 105.5° | 109.8° |
| C31 | C32 | H30 | 106.8° | 109.5° |
| C32 | C34 | C35 | 114.6° | 109.4° |
| C34 | C32 | H30 | 106.7° | 109.5° |
| C32 | C34 | H34 | 108.2° | 109.5° |
| C32 | C34 | H35 | 108.2° | 109.4° |
| N14 | C31 | C29 | 109.5° | 108.8° |
| C31 | N14 | C15 | 113.0° | 117.0° |
| N14 | C31 | H29 | 106.3° | 109.6° |
| C31 | C29 | O30 | 118.4° | 118.4° |
| C31 | C29 | N17 | 118.9° | 123.1° |
| C29 | C31 | H29 | 105.8° | 109.6° |
| N14 | C15 | N9 | 109.0° | 111.5° |
| N14 | C15 | C16 | 109.2° | 108.4° |
| N14 | C15 | H8 | 108.3° | 108.8° |
| O30 | C29 | N17 | 122.7° | 118.5° |
| C10 | N9 | C15 | 111.4° | 119.8° |
| C10 | N9 | C7 | 126.9° | 120.1° |
| N9 | C10 | H6 | 109.3° | 109.8° |
| N9 | C10 | H7 | 109.3° | 109.8° |
| C29 | N17 | C16 | 126.2° | 124.5° |
| C29 | N17 | C18 | 119.4° | 117.7° |
| C35 | C34 | H34 | 108.2° | 109.5° |
| C35 | C34 | H35 | 108.2° | 109.4° |
| C34 | C35 | H36 | 109.5° | 109.5° |
| C34 | C35 | H37 | 109.5° | 109.4° |
| C34 | C35 | H38 | 109.5° | 109.5° |
| N9 | C15 | C16 | 114.1° | 109.6° |
| C15 | N9 | C7 | 121.7° | 120.1° |
| N9 | C15 | H8 | 108.4° | 109.3° |
| C15 | C16 | N17 | 111.3° | 110.7° |
| C16 | C15 | H8 | 107.7° | 109.3° |
| C15 | C16 | H23 | 109.0° | 109.3° |
| C15 | C16 | H24 | 109.0° | 109.2° |
| N9 | C7 | N6 | 115.8° | 120.0° |
| N9 | C7 | O8 | 121.4° | 120.0° |
| C7 | N6 | C5 | 123.1° | 120.0° |
| N6 | C7 | O8 | 122.7° | 120.0° |
| C7 | N6 | H20 | 118.5° | 120.0° |
| N6 | C5 | C3 | 108.4° | 109.4° |
| N6 | C5 | H4 | 109.7° | 109.5° |
| N6 | C5 | H5 | 109.7° | 109.4° |
| C5 | N6 | H20 | 118.4° | 120.0° |
| C16 | N17 | C18 | 114.4° | 117.8° |
| N17 | C16 | H23 | 109.0° | 109.2° |
| N17 | C16 | H24 | 109.0° | 109.2° |
| N17 | C18 | C19 | 114.1° | 109.5° |
| N17 | C18 | H25 | 108.3° | 109.5° |
| N17 | C18 | H26 | 108.3° | 109.4° |
| C5 | C3 | C2 | 111.9° | 109.4° |
| C5 | C3 | C4 | 111.4° | 109.5° |
| C3 | C5 | H4 | 109.8° | 109.5° |
| C3 | C5 | H5 | 109.8° | 109.5° |
| C5 | C3 | H19 | 106.7° | 109.4° |
| C18 | C19 | C28 | 120.8° | 120.2° |
| C18 | C19 | C20 | 119.9° | 120.1° |
| C19 | C18 | H25 | 108.3° | 109.5° |
| C19 | C18 | H26 | 108.3° | 109.5° |
| C2 | C3 | C4 | 113.7° | 109.5° |
| C3 | C2 | C1 | 120.3° | 109.5° |
| C3 | C2 | H17 | 106.7° | 109.4° |
| C3 | C2 | H18 | 106.7° | 109.5° |
| C2 | C3 | H19 | 106.0° | 109.5° |
| C3 | C4 | H1 | 109.5° | 109.5° |
| C3 | C4 | H2 | 109.5° | 109.5° |
| C3 | C4 | H3 | 109.4° | 109.5° |
| C4 | C3 | H19 | 106.6° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.4° | 109.5° |
| C2 | C1 | H16 | 109.4° | 109.5° |
| C1 | C2 | H17 | 106.7° | 109.5° |
| C1 | C2 | H18 | 106.7° | 109.5° |
| C26 | C27 | C28 | 121.2° | 119.7° |
| C27 | C26 | C25 | 120.6° | 121.0° |
| C27 | C26 | H13 | 119.7° | 119.5° |
| C26 | C27 | H28 | 119.4° | 120.2° |
| C27 | C28 | C19 | 123.2° | 121.3° |
| C27 | C28 | C23 | 117.8° | 119.4° |
| C28 | C27 | H28 | 119.4° | 120.2° |
| C26 | C25 | C24 | 120.6° | 121.0° |
| C25 | C26 | H13 | 119.7° | 119.5° |
| C26 | C25 | H27 | 119.7° | 119.5° |
| C28 | C19 | C20 | 119.2° | 119.7° |
| C19 | C28 | C23 | 118.9° | 119.4° |
| C19 | C20 | C21 | 121.7° | 121.0° |
| C19 | C20 | H9 | 119.2° | 119.6° |
| C28 | C23 | C24 | 119.0° | 119.3° |
| C28 | C23 | C22 | 118.9° | 119.4° |
| C20 | C21 | C22 | 120.6° | 121.0° |
| C21 | C20 | H9 | 119.1° | 119.5° |
| C20 | C21 | H10 | 119.7° | 119.5° |
| C25 | C24 | C23 | 120.8° | 119.7° |
| C25 | C24 | H12 | 119.6° | 120.2° |
| C24 | C25 | H27 | 119.7° | 119.5° |
| C24 | C23 | C22 | 122.1° | 121.3° |
| C23 | C24 | H12 | 119.6° | 120.1° |
| C23 | C22 | C21 | 120.6° | 119.7° |
| C23 | C22 | H11 | 119.7° | 120.1° |
| C22 | C21 | H10 | 119.7° | 119.5° |
| C21 | C22 | H11 | 119.7° | 120.2° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H1 | C4 | H3 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.8° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.4° |
| H17 | C2 | H18 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.2° |
| H25 | C18 | H26 | 109.5° | 109.4° |
| H31 | C33 | H32 | 109.5° | 109.4° |
| H31 | C33 | H33 | 109.5° | 109.5° |
| H32 | C33 | H33 | 109.4° | 109.5° |
| H34 | C34 | H35 | 109.4° | 109.5° |
| H36 | C35 | H37 | 109.4° | 109.5° |
| H36 | C35 | H38 | 109.5° | 109.4° |
| H37 | C35 | H38 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C12 | C11 | N14 | 179.1° | 180.0° |
| O13 | C12 | C11 | C10 | 167.2° | 151.5° |
| O13 | C12 | N14 | C31 | 5.9° | 3.4° |
| O13 | C12 | N14 | C15 | 176.5° | 176.7° |
| O13 | C12 | C11 | H21 | 72.5° | 31.7° |
| O13 | C12 | C11 | H22 | 47.0° | 88.6° |
| C12 | C11 | C10 | H21 | 120.3° | 119.8° |
| C12 | C11 | C10 | H22 | 120.2° | 120.0° |
| C11 | C12 | N14 | C31 | 173.2° | 176.6° |
| C11 | C12 | N14 | C15 | 4.4° | 3.3° |
| C12 | C11 | C10 | N9 | 46.2° | 50.9° |
| C12 | C11 | C10 | H6 | 166.3° | 68.7° |
| C12 | C11 | C10 | H7 | 73.9° | 170.5° |
| C12 | C11 | H21 | H22 | 119.2° | 120.4° |
| N14 | C12 | C11 | C10 | 11.9° | 28.6° |
| C12 | N14 | C31 | C32 | 105.9° | 103.2° |
| C12 | N14 | C31 | C15 | 177.9° | 179.9° |
| C12 | N14 | C31 | C29 | 124.5° | 137.1° |
| C12 | N14 | C15 | N9 | 14.0° | 2.4° |
| C12 | N14 | C15 | C16 | 111.2° | 118.3° |
| C12 | N14 | C15 | H8 | 131.8° | 123.0° |
| N14 | C12 | C11 | H21 | 108.3° | 148.3° |
| N14 | C12 | C11 | H22 | 132.2° | 91.4° |
| C12 | N14 | C31 | H29 | 10.6° | 17.3° |
| C33 | C32 | C31 | C34 | 126.6° | 120.0° |
| C33 | C32 | C31 | H30 | 116.7° | 120.0° |
| C33 | C32 | C34 | H30 | 116.9° | 120.0° |
| C33 | C32 | C31 | N14 | 31.9° | 174.7° |
| C33 | C32 | C31 | C29 | 159.5° | 66.1° |
| C33 | C32 | C34 | C35 | 30.9° | 65.0° |
| C33 | C32 | C31 | H29 | 85.1° | 54.3° |
| C32 | C33 | H31 | H32 | 120.0° | 119.9° |
| C32 | C33 | H31 | H33 | 120.0° | 120.0° |
| C32 | C33 | H32 | H33 | 120.0° | 120.0° |
| C33 | C32 | C34 | H34 | 89.8° | 55.0° |
| C33 | C32 | C34 | H35 | 151.7° | 175.1° |
| C11 | C10 | N9 | H6 | 120.1° | 119.6° |
| C11 | C10 | N9 | H7 | 120.1° | 119.6° |
| C11 | C10 | N9 | C15 | 68.0° | 56.7° |
| C11 | C10 | N9 | C7 | 108.8° | 123.3° |
| C11 | C10 | H6 | H7 | 119.7° | 120.9° |
| C10 | C11 | H21 | H22 | 119.2° | 120.2° |
| C31 | C32 | C34 | H30 | 116.7° | 120.0° |
| C32 | C31 | N14 | C29 | 129.6° | 119.7° |
| C32 | C31 | N14 | H29 | 116.5° | 120.5° |
| C32 | C31 | C29 | H29 | 115.2° | 120.5° |
| C32 | C31 | N14 | C15 | 76.1° | 76.7° |
| C32 | C31 | C29 | O30 | 69.2° | 73.1° |
| C32 | C31 | C29 | N17 | 112.6° | 106.9° |
| C31 | C32 | C34 | C35 | 157.3° | 175.0° |
| C31 | C32 | C33 | H31 | 180.0° | 64.6° |
| C31 | C32 | C33 | H32 | 60.0° | 175.4° |
| C31 | C32 | C33 | H33 | 60.0° | 55.4° |
| C31 | C32 | C34 | H34 | 36.6° | 65.0° |
| C31 | C32 | C34 | H35 | 81.9° | 55.1° |
| C34 | C32 | C31 | N14 | 94.7° | 54.7° |
| C34 | C32 | C31 | C29 | 32.9° | 173.9° |
| C32 | C34 | C35 | H34 | 120.8° | 120.0° |
| C32 | C34 | C35 | H35 | 120.8° | 119.9° |
| C34 | C32 | C31 | H29 | 148.3° | 65.7° |
| C34 | C32 | C33 | H31 | 53.2° | 55.3° |
| C34 | C32 | C33 | H32 | 173.3° | 64.6° |
| C34 | C32 | C33 | H33 | 66.8° | 175.4° |
| C32 | C34 | H34 | H35 | 117.7° | 120.0° |
| C32 | C34 | C35 | H36 | 180.0° | 60.0° |
| C32 | C34 | C35 | H37 | 60.0° | 60.0° |
| C32 | C34 | C35 | H38 | 60.0° | 180.0° |
| N14 | C31 | C29 | H29 | 114.2° | 119.8° |
| N14 | C31 | C29 | O30 | 160.2° | 167.1° |
| N14 | C31 | C29 | N17 | 18.0° | 12.8° |
| C31 | N14 | C15 | N9 | 168.2° | 177.5° |
| C31 | N14 | C15 | C16 | 66.6° | 61.8° |
| C31 | N14 | C15 | H8 | 50.4° | 56.9° |
| N14 | C31 | C32 | H30 | 148.6° | 65.3° |
| C29 | C31 | N14 | C15 | 53.5° | 43.0° |
| C31 | C29 | O30 | N17 | 178.1° | 180.0° |
| C31 | C29 | N17 | C16 | 3.5° | 4.2° |
| C31 | C29 | N17 | C18 | 174.0° | 175.9° |
| C29 | C31 | C32 | H30 | 83.8° | 53.9° |
| N14 | C15 | N9 | C10 | 49.4° | 31.2° |
| N14 | C15 | N9 | C16 | 122.3° | 120.0° |
| N14 | C15 | N9 | H8 | 117.8° | 120.3° |
| N14 | C15 | C16 | H8 | 117.4° | 118.4° |
| N14 | C15 | N9 | C7 | 127.6° | 148.8° |
| N14 | C15 | C16 | N17 | 40.9° | 46.8° |
| N14 | C15 | C16 | H23 | 161.1° | 167.2° |
| N14 | C15 | C16 | H24 | 79.4° | 73.4° |
| C15 | N14 | C31 | H29 | 167.3° | 162.8° |
| O30 | C29 | N17 | C16 | 178.4° | 175.8° |
| O30 | C29 | N17 | C18 | 4.1° | 4.2° |
| O30 | C29 | C31 | H29 | 46.0° | 47.3° |
| C10 | N9 | C15 | C7 | 176.9° | 180.0° |
| C10 | N9 | C15 | C16 | 72.9° | 88.8° |
| C10 | N9 | C7 | N6 | 9.2° | 175.2° |
| C10 | N9 | C7 | O8 | 173.5° | 4.7° |
| N9 | C10 | H6 | H7 | 119.8° | 120.8° |
| C10 | N9 | C15 | H8 | 167.1° | 151.5° |
| N9 | C10 | C11 | H21 | 74.1° | 170.7° |
| N9 | C10 | C11 | H22 | 166.4° | 69.2° |
| C29 | N17 | C16 | C15 | 8.3° | 21.5° |
| C29 | N17 | C16 | C18 | 177.6° | 180.0° |
| C29 | N17 | C18 | C19 | 126.9° | 84.5° |
| C29 | N17 | C16 | H23 | 128.5° | 141.9° |
| C29 | N17 | C16 | H24 | 112.0° | 98.8° |
| C29 | N17 | C18 | H25 | 112.4° | 35.5° |
| C29 | N17 | C18 | H26 | 6.2° | 155.5° |
| N17 | C29 | C31 | H29 | 132.2° | 132.7° |
| C35 | C34 | C32 | H30 | 86.0° | 55.0° |
| C35 | C34 | H34 | H35 | 117.7° | 120.0° |
| C34 | C35 | H36 | H37 | 120.0° | 120.0° |
| C34 | C35 | H36 | H38 | 120.0° | 120.0° |
| C34 | C35 | H37 | H38 | 120.0° | 120.0° |
| N9 | C15 | C16 | H8 | 120.4° | 119.7° |
| C15 | N9 | C7 | N6 | 167.2° | 4.8° |
| C15 | N9 | C7 | O8 | 10.1° | 175.3° |
| N9 | C15 | C16 | N17 | 163.0° | 168.7° |
| C15 | N9 | C10 | H6 | 171.9° | 62.9° |
| C15 | N9 | C10 | H7 | 52.1° | 176.4° |
| N9 | C15 | C16 | H23 | 76.7° | 71.0° |
| N9 | C15 | C16 | H24 | 42.8° | 48.5° |
| C16 | C15 | N9 | C7 | 110.2° | 91.2° |
| C15 | C16 | N17 | H23 | 120.3° | 120.3° |
| C15 | C16 | N17 | H24 | 120.3° | 120.3° |
| C15 | C16 | N17 | C18 | 174.1° | 158.5° |
| C15 | C16 | H23 | H24 | 119.2° | 119.4° |
| N9 | C7 | N6 | O8 | 177.3° | 180.0° |
| N9 | C7 | N6 | C5 | 174.2° | 174.7° |
| C7 | N9 | C10 | H6 | 11.3° | 117.1° |
| C7 | N9 | C10 | H7 | 131.1° | 3.6° |
| C7 | N9 | C15 | H8 | 9.8° | 28.5° |
| N9 | C7 | N6 | H20 | 5.8° | 5.3° |
| C7 | N6 | C5 | H20 | 180.0° | 179.9° |
| C7 | N6 | C5 | C3 | 88.9° | 180.0° |
| C7 | N6 | C5 | H4 | 30.9° | 60.0° |
| C7 | N6 | C5 | H5 | 151.2° | 60.1° |
| C5 | N6 | C7 | O8 | 8.4° | 5.2° |
| N6 | C5 | C3 | H4 | 119.8° | 120.0° |
| N6 | C5 | C3 | H5 | 119.8° | 119.9° |
| N6 | C5 | C3 | C2 | 139.3° | 175.0° |
| N6 | C5 | C3 | C4 | 92.2° | 65.0° |
| N6 | C5 | H4 | H5 | 120.5° | 120.0° |
| N6 | C5 | C3 | H19 | 23.7° | 55.1° |
| O8 | C7 | N6 | H20 | 171.5° | 174.7° |
| C16 | N17 | C18 | C19 | 55.3° | 95.4° |
| N17 | C16 | C15 | H8 | 76.6° | 71.6° |
| N17 | C16 | H23 | H24 | 119.1° | 119.4° |
| C16 | N17 | C18 | H25 | 65.4° | 144.5° |
| C16 | N17 | C18 | H26 | 176.0° | 24.6° |
| N17 | C18 | C19 | H25 | 120.7° | 120.0° |
| N17 | C18 | C19 | H26 | 120.7° | 120.0° |
| N17 | C18 | C19 | C28 | 68.0° | 81.3° |
| N17 | C18 | C19 | C20 | 109.6° | 98.7° |
| C18 | N17 | C16 | H23 | 53.9° | 38.2° |
| C18 | N17 | C16 | H24 | 65.6° | 81.2° |
| N17 | C18 | H25 | H26 | 117.9° | 120.0° |
| C5 | C3 | C2 | C4 | 127.3° | 120.0° |
| C5 | C3 | C2 | H19 | 116.0° | 119.9° |
| C5 | C3 | C4 | H19 | 116.0° | 120.0° |
| C5 | C3 | C2 | C1 | 118.8° | 175.0° |
| C5 | C3 | C4 | H1 | 180.0° | 60.0° |
| C5 | C3 | C4 | H2 | 60.0° | 180.0° |
| C5 | C3 | C4 | H3 | 60.0° | 60.0° |
| C3 | C5 | H4 | H5 | 120.5° | 120.0° |
| C5 | C3 | C2 | H17 | 2.7° | 55.0° |
| C5 | C3 | C2 | H18 | 119.6° | 65.0° |
| C3 | C5 | N6 | H20 | 91.1° | 0.1° |
| C18 | C19 | C28 | C27 | 3.4° | 0.5° |
| C18 | C19 | C28 | C20 | 177.6° | 180.0° |
| C18 | C19 | C28 | C23 | 177.1° | 179.5° |
| C18 | C19 | C20 | C21 | 177.2° | 180.0° |
| C18 | C19 | C20 | H9 | 2.9° | 0.3° |
| C19 | C18 | H25 | H26 | 117.9° | 120.0° |
| C2 | C3 | C4 | H19 | 116.5° | 120.0° |
| C3 | C2 | C1 | H17 | 121.5° | 120.0° |
| C3 | C2 | C1 | H18 | 121.5° | 120.0° |
| C2 | C3 | C4 | H1 | 52.5° | 59.9° |
| C2 | C3 | C4 | H2 | 172.5° | 60.0° |
| C2 | C3 | C4 | H3 | 67.5° | 180.0° |
| C2 | C3 | C5 | H4 | 100.9° | 55.0° |
| C2 | C3 | C5 | H5 | 19.5° | 65.0° |
| C3 | C2 | C1 | H14 | 180.0° | 180.0° |
| C3 | C2 | C1 | H15 | 60.0° | 60.0° |
| C3 | C2 | C1 | H16 | 60.0° | 60.0° |
| C3 | C2 | H17 | H18 | 115.1° | 120.0° |
| C4 | C3 | C2 | C1 | 8.5° | 65.0° |
| C3 | C4 | H1 | H2 | 120.0° | 120.0° |
| C3 | C4 | H1 | H3 | 120.0° | 120.0° |
| C3 | C4 | H2 | H3 | 120.0° | 120.0° |
| C4 | C3 | C5 | H4 | 27.6° | 175.0° |
| C4 | C3 | C5 | H5 | 148.0° | 54.9° |
| C4 | C3 | C2 | H17 | 130.0° | 175.0° |
| C4 | C3 | C2 | H18 | 113.1° | 55.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H16 | 120.0° | 120.0° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| C1 | C2 | H17 | H18 | 115.1° | 120.0° |
| C1 | C2 | C3 | H19 | 125.2° | 55.0° |
| C26 | C27 | C28 | H28 | 180.0° | 179.9° |
| C27 | C26 | C25 | H13 | 180.0° | 179.9° |
| C26 | C27 | C28 | C19 | 179.5° | 180.0° |
| C26 | C27 | C28 | C23 | 0.1° | 0.1° |
| C27 | C26 | C25 | C24 | 0.0° | 0.0° |
| C27 | C26 | C25 | H27 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.1° | 0.1° |
| C27 | C28 | C19 | C23 | 179.5° | 180.0° |
| C27 | C28 | C19 | C20 | 179.0° | 179.5° |
| C27 | C28 | C23 | C24 | 0.1° | 0.1° |
| C27 | C28 | C23 | C22 | 179.2° | 179.3° |
| C28 | C27 | C26 | H13 | 180.0° | 180.0° |
| C26 | C25 | C24 | H27 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.0° | 0.0° |
| C26 | C25 | C24 | H12 | 180.0° | 180.0° |
| C25 | C26 | C27 | H28 | 179.9° | 180.0° |
| C28 | C19 | C20 | C21 | 0.5° | 0.0° |
| C19 | C28 | C23 | C24 | 179.5° | 180.0° |
| C19 | C28 | C23 | C22 | 0.3° | 0.8° |
| C28 | C19 | C20 | H9 | 179.5° | 179.7° |
| C28 | C19 | C18 | H25 | 171.3° | 158.6° |
| C28 | C19 | C18 | H26 | 52.7° | 38.6° |
| C19 | C28 | C27 | H28 | 0.5° | 0.0° |
| C20 | C19 | C28 | C23 | 0.5° | 0.6° |
| C19 | C20 | C21 | H9 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.3° | 0.3° |
| C19 | C20 | C21 | H10 | 179.7° | 179.7° |
| C20 | C19 | C18 | H25 | 11.1° | 21.3° |
| C20 | C19 | C18 | H26 | 129.7° | 141.3° |
| C28 | C23 | C24 | C25 | 0.0° | 0.0° |
| C28 | C23 | C24 | C22 | 179.2° | 179.2° |
| C28 | C23 | C22 | C21 | 0.1° | 0.5° |
| C28 | C23 | C22 | H11 | 179.9° | 179.5° |
| C28 | C23 | C24 | H12 | 180.0° | 180.0° |
| C23 | C28 | C27 | H28 | 179.9° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H10 | 180.0° | 180.0° |
| C20 | C21 | C22 | H11 | 179.9° | 180.0° |
| C25 | C24 | C23 | H12 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 179.1° | 179.2° |
| C24 | C25 | C26 | H13 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 179.3° | 179.7° |
| C24 | C23 | C22 | H11 | 0.7° | 0.3° |
| C23 | C24 | C25 | H27 | 180.0° | 180.0° |
| C23 | C22 | C21 | H11 | 180.0° | 180.0° |
| C23 | C22 | C21 | H10 | 179.9° | 180.0° |
| C22 | C23 | C24 | H12 | 0.8° | 0.8° |
| C22 | C21 | C20 | H9 | 179.7° | 180.0° |
| H1 | C4 | H2 | H3 | 120.0° | 120.0° |
| H1 | C4 | C3 | H19 | 64.0° | 180.0° |
| H2 | C4 | C3 | H19 | 56.0° | 60.0° |
| H3 | C4 | C3 | H19 | 176.0° | 60.0° |
| H4 | C5 | C3 | H19 | 143.6° | 64.9° |
| H4 | C5 | N6 | H20 | 149.1° | 120.0° |
| H5 | C5 | C3 | H19 | 96.1° | 175.0° |
| H5 | C5 | N6 | H20 | 28.8° | 120.0° |
| H6 | C10 | C11 | H21 | 46.0° | 51.1° |
| H6 | C10 | C11 | H22 | 73.5° | 171.2° |
| H7 | C10 | C11 | H21 | 165.8° | 69.7° |
| H7 | C10 | C11 | H22 | 46.3° | 50.4° |
| H8 | C15 | C16 | H23 | 43.7° | 48.7° |
| H8 | C15 | C16 | H24 | 163.2° | 168.2° |
| H9 | C20 | C21 | H10 | 0.3° | 0.0° |
| H10 | C21 | C22 | H11 | 0.1° | 0.0° |
| H12 | C24 | C25 | H27 | 0.0° | 0.0° |
| H13 | C26 | C25 | H27 | 0.0° | 0.0° |
| H13 | C26 | C27 | H28 | 0.1° | 0.1° |
| H14 | C1 | H15 | H16 | 120.0° | 120.0° |
| H14 | C1 | C2 | H17 | 58.5° | 60.0° |
| H14 | C1 | C2 | H18 | 58.5° | 60.0° |
| H15 | C1 | C2 | H17 | 178.5° | 60.0° |
| H15 | C1 | C2 | H18 | 61.5° | 180.0° |
| H16 | C1 | C2 | H17 | 61.5° | 179.9° |
| H16 | C1 | C2 | H18 | 178.5° | 60.0° |
| H17 | C2 | C3 | H19 | 113.3° | 65.0° |
| H18 | C2 | C3 | H19 | 3.7° | 175.0° |
| H29 | C31 | C32 | H30 | 31.6° | 174.3° |
| H30 | C32 | C33 | H31 | 63.4° | 175.3° |
| H30 | C32 | C33 | H32 | 56.6° | 55.4° |
| H30 | C32 | C33 | H33 | 176.5° | 64.6° |
| H30 | C32 | C34 | H34 | 153.3° | 175.0° |
| H30 | C32 | C34 | H35 | 34.8° | 64.9° |
| H31 | C33 | H32 | H33 | 120.0° | 120.1° |
| H34 | C34 | C35 | H36 | 59.3° | 180.0° |
| H34 | C34 | C35 | H37 | 179.3° | 60.0° |
| H34 | C34 | C35 | H38 | 60.8° | 60.0° |
| H35 | C34 | C35 | H36 | 59.2° | 59.9° |
| H35 | C34 | C35 | H37 | 60.8° | 179.9° |
| H35 | C34 | C35 | H38 | 179.2° | 60.1° |
| H36 | C35 | H37 | H38 | 120.0° | 120.0° |
