E69
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| N4 | C14 | doub | 1.30Å | 1.42Å | |
| C4 | C9 | sing | 1.51Å | 1.51Å | |
| C4 | N1 | sing | 1.46Å | 1.48Å | |
| O3 | C9 | doub | 1.21Å | 1.23Å | |
| C14 | N3 | sing | 1.37Å | 1.33Å | |
| C14 | N5 | sing | 1.37Å | 1.26Å | |
| C9 | N2 | sing | 1.35Å | 1.33Å | |
| N3 | C13 | sing | 1.47Å | 1.46Å | |
| N1 | C3 | sing | 1.35Å | 1.34Å | |
| C3 | O2 | doub | 1.21Å | 1.22Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C15 | sing | 1.51Å | 1.51Å | |
| O6 | C26 | doub | 1.21Å | 1.22Å | |
| N2 | C10 | sing | 1.46Å | 1.45Å | |
| N11 | C26 | sing | 1.35Å | 1.34Å | |
| O5 | C21 | doub | 1.21Å | 1.21Å | |
| N6 | C15 | sing | 1.35Å | 1.33Å | |
| N6 | C16 | sing | 1.47Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C26 | C22 | sing | 1.51Å | 1.51Å | |
| C2 | O1 | sing | 1.43Å | 1.44Å | |
| C15 | O4 | doub | 1.21Å | 1.23Å | |
| C21 | C16 | sing | 1.51Å | 1.50Å | |
| C21 | N10 | sing | 1.35Å | 1.33Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | N7 | sing | 1.46Å | 1.46Å | |
| N10 | C22 | sing | 1.47Å | 1.47Å | |
| N10 | C25 | sing | 1.47Å | 1.46Å | |
| C22 | C23 | sing | 1.54Å | 1.52Å | |
| N7 | C20 | sing | 1.37Å | 1.33Å | |
| C23 | C24 | sing | 1.55Å | 1.52Å | |
| C25 | C24 | sing | 1.55Å | 1.52Å | |
| C20 | N8 | doub | 1.30Å | 1.42Å | |
| C20 | N9 | sing | 1.38Å | 1.26Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| N5 | H11 | sing | 0.97Å | 1.00Å | |
| N5 | H12 | sing | 0.97Å | 1.00Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C7 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H23 | sing | 1.09Å | 1.10Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| O1 | H26 | sing | 0.97Å | 0.95Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å | |
| C1 | H28 | sing | 1.09Å | 1.10Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| N11 | H38 | sing | 0.97Å | 1.00Å | |
| N11 | H39 | sing | 0.97Å | 1.00Å | |
| C17 | H40 | sing | 1.09Å | 1.10Å | |
| C17 | H41 | sing | 1.09Å | 1.10Å | |
| C18 | H42 | sing | 1.09Å | 1.10Å | |
| C18 | H43 | sing | 1.09Å | 1.10Å | |
| C19 | H44 | sing | 1.09Å | 1.10Å | |
| C19 | H45 | sing | 1.09Å | 1.10Å | |
| N7 | H46 | sing | 0.97Å | 1.00Å | |
| N8 | H47 | sing | 0.97Å | 1.00Å | |
| N9 | H49 | sing | 0.97Å | 1.00Å | |
| N9 | H50 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C6 | C7 | 108.2° | 109.5° |
| C8 | C6 | C5 | 110.9° | 109.5° |
| C8 | C6 | H17 | 109.9° | 109.4° |
| C6 | C8 | H18 | 109.5° | 109.5° |
| C6 | C8 | H19 | 109.5° | 109.5° |
| C6 | C8 | H20 | 109.5° | 109.4° |
| C7 | C6 | C5 | 108.1° | 109.5° |
| C7 | C6 | H17 | 109.8° | 109.5° |
| C6 | C7 | H21 | 109.5° | 109.5° |
| C6 | C7 | H22 | 109.5° | 109.4° |
| C6 | C7 | H23 | 109.5° | 109.5° |
| C6 | C5 | C4 | 115.1° | 109.5° |
| C6 | C5 | H15 | 108.0° | 109.5° |
| C6 | C5 | H16 | 108.1° | 109.5° |
| C5 | C6 | H17 | 109.9° | 109.4° |
| C5 | C4 | C9 | 111.6° | 109.5° |
| C5 | C4 | N1 | 120.7° | 109.5° |
| C5 | C4 | H14 | 100.7° | 109.5° |
| C4 | C5 | H15 | 108.0° | 109.5° |
| C4 | C5 | H16 | 108.0° | 109.5° |
| N4 | C14 | N3 | 120.1° | 120.0° |
| N4 | C14 | N5 | 119.9° | 120.0° |
| C14 | N4 | H13 | 112.0° | 120.0° |
| C9 | C4 | N1 | 117.2° | 109.5° |
| C4 | C9 | O3 | 121.2° | 120.0° |
| C4 | C9 | N2 | 113.4° | 120.0° |
| C9 | C4 | H14 | 100.9° | 109.5° |
| C4 | N1 | C3 | 139.4° | 120.1° |
| N1 | C4 | H14 | 101.1° | 109.4° |
| C4 | N1 | H24 | 110.3° | 119.9° |
| O3 | C9 | N2 | 125.2° | 120.0° |
| N3 | C14 | N5 | 120.0° | 120.0° |
| C14 | N3 | C13 | 126.6° | 120.0° |
| C14 | N3 | H10 | 116.7° | 120.0° |
| C14 | N5 | H11 | 120.0° | 120.0° |
| C14 | N5 | H12 | 120.0° | 120.1° |
| C9 | N2 | C10 | 123.3° | 120.0° |
| C9 | N2 | H1 | 118.3° | 120.0° |
| N3 | C13 | C12 | 106.3° | 109.4° |
| N3 | C13 | H8 | 110.3° | 109.4° |
| N3 | C13 | H9 | 110.3° | 109.5° |
| C13 | N3 | H10 | 116.7° | 120.0° |
| N1 | C3 | O2 | 126.8° | 120.0° |
| N1 | C3 | C2 | 113.3° | 120.0° |
| C3 | N1 | H24 | 110.3° | 120.0° |
| O2 | C3 | C2 | 119.9° | 120.0° |
| C3 | C2 | C1 | 113.9° | 109.4° |
| C3 | C2 | O1 | 110.9° | 109.5° |
| C3 | C2 | H25 | 107.6° | 109.5° |
| C2 | C1 | C15 | 108.4° | 109.4° |
| C1 | C2 | O1 | 108.4° | 109.5° |
| C1 | C2 | H25 | 107.4° | 109.5° |
| C2 | C1 | H27 | 109.7° | 109.5° |
| C2 | C1 | H28 | 109.7° | 109.5° |
| C1 | C15 | N6 | 116.0° | 120.0° |
| C1 | C15 | O4 | 122.2° | 120.0° |
| C15 | C1 | H27 | 109.7° | 109.4° |
| C15 | C1 | H28 | 109.7° | 109.5° |
| O6 | C26 | N11 | 121.9° | 120.0° |
| O6 | C26 | C22 | 120.3° | 120.0° |
| N2 | C10 | C11 | 111.5° | 109.5° |
| C10 | N2 | H1 | 118.3° | 120.0° |
| N2 | C10 | H2 | 109.0° | 109.4° |
| N2 | C10 | H3 | 108.9° | 109.5° |
| N11 | C26 | C22 | 117.8° | 120.0° |
| C26 | N11 | H38 | 120.0° | 120.0° |
| C26 | N11 | H39 | 120.0° | 120.0° |
| O5 | C21 | C16 | 118.3° | 120.0° |
| O5 | C21 | N10 | 122.5° | 120.0° |
| C15 | N6 | C16 | 121.6° | 120.1° |
| N6 | C15 | O4 | 121.8° | 119.9° |
| C15 | N6 | H29 | 119.2° | 120.0° |
| N6 | C16 | C17 | 108.1° | 109.5° |
| N6 | C16 | C21 | 111.1° | 109.4° |
| C16 | N6 | H29 | 119.2° | 119.9° |
| N6 | C16 | H30 | 109.2° | 109.5° |
| C12 | C11 | C10 | 111.9° | 109.5° |
| C11 | C12 | C13 | 111.2° | 109.4° |
| C12 | C11 | H4 | 108.8° | 109.4° |
| C12 | C11 | H5 | 108.9° | 109.5° |
| C11 | C12 | H6 | 109.0° | 109.4° |
| C11 | C12 | H7 | 109.1° | 109.4° |
| C11 | C10 | H2 | 108.9° | 109.5° |
| C11 | C10 | H3 | 109.0° | 109.5° |
| C10 | C11 | H4 | 108.8° | 109.5° |
| C10 | C11 | H5 | 108.9° | 109.5° |
| C16 | C17 | C18 | 108.5° | 109.4° |
| C17 | C16 | C21 | 111.6° | 109.5° |
| C17 | C16 | H30 | 108.1° | 109.5° |
| C16 | C17 | H40 | 109.7° | 109.5° |
| C16 | C17 | H41 | 109.7° | 109.5° |
| C17 | C18 | C19 | 111.0° | 109.5° |
| C18 | C17 | H40 | 109.7° | 109.5° |
| C18 | C17 | H41 | 109.7° | 109.4° |
| C17 | C18 | H42 | 109.1° | 109.5° |
| C17 | C18 | H43 | 109.1° | 109.5° |
| C13 | C12 | H6 | 109.1° | 109.5° |
| C13 | C12 | H7 | 109.0° | 109.5° |
| C12 | C13 | H8 | 110.2° | 109.5° |
| C12 | C13 | H9 | 110.3° | 109.5° |
| C26 | C22 | N10 | 117.1° | 109.9° |
| C26 | C22 | C23 | 112.8° | 109.9° |
| C26 | C22 | H37 | 107.4° | 110.0° |
| O1 | C2 | H25 | 108.4° | 109.5° |
| C2 | O1 | H26 | 109.5° | 114.0° |
| C16 | C21 | N10 | 119.1° | 120.0° |
| C21 | C16 | H30 | 108.5° | 109.4° |
| C21 | N10 | C22 | 121.1° | 125.6° |
| C21 | N10 | C25 | 127.4° | 125.7° |
| C18 | C19 | N7 | 105.3° | 109.5° |
| C19 | C18 | H42 | 109.1° | 109.5° |
| C19 | C18 | H43 | 109.1° | 109.5° |
| C18 | C19 | H44 | 110.5° | 109.4° |
| C18 | C19 | H45 | 110.5° | 109.5° |
| C19 | N7 | C20 | 127.3° | 120.0° |
| N7 | C19 | H44 | 110.5° | 109.5° |
| N7 | C19 | H45 | 110.5° | 109.5° |
| C19 | N7 | H46 | 116.3° | 120.0° |
| C22 | N10 | C25 | 111.5° | 108.7° |
| N10 | C22 | C23 | 104.0° | 107.3° |
| N10 | C22 | H37 | 107.9° | 109.9° |
| N10 | C25 | C24 | 104.5° | 104.8° |
| N10 | C25 | H31 | 110.7° | 110.4° |
| N10 | C25 | H32 | 110.7° | 110.4° |
| C22 | C23 | C24 | 103.9° | 102.9° |
| C22 | C23 | H35 | 110.9° | 110.7° |
| C22 | C23 | H36 | 110.9° | 110.7° |
| C23 | C22 | H37 | 107.2° | 109.9° |
| N7 | C20 | N8 | 120.2° | 120.0° |
| N7 | C20 | N9 | 120.0° | 120.0° |
| C20 | N7 | H46 | 116.4° | 120.0° |
| C23 | C24 | C25 | 103.8° | 101.4° |
| C23 | C24 | H33 | 110.9° | 110.9° |
| C23 | C24 | H34 | 110.9° | 111.0° |
| C24 | C23 | H35 | 110.9° | 110.7° |
| C24 | C23 | H36 | 110.8° | 110.7° |
| C24 | C25 | H31 | 110.7° | 110.5° |
| C24 | C25 | H32 | 110.7° | 110.3° |
| C25 | C24 | H33 | 110.9° | 111.2° |
| C25 | C24 | H34 | 110.8° | 111.0° |
| N8 | C20 | N9 | 119.8° | 120.0° |
| C20 | N8 | H47 | 112.0° | 119.9° |
| C20 | N9 | H49 | 120.0° | 120.0° |
| C20 | N9 | H50 | 120.0° | 120.0° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.4° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H11 | N5 | H12 | 120.0° | 120.0° |
| H15 | C5 | H16 | 109.5° | 109.4° |
| H18 | C8 | H19 | 109.5° | 109.5° |
| H18 | C8 | H20 | 109.5° | 109.5° |
| H19 | C8 | H20 | 109.5° | 109.4° |
| H21 | C7 | H22 | 109.5° | 109.5° |
| H21 | C7 | H23 | 109.5° | 109.5° |
| H22 | C7 | H23 | 109.5° | 109.4° |
| H27 | C1 | H28 | 109.4° | 109.5° |
| H31 | C25 | H32 | 109.5° | 110.4° |
| H33 | C24 | H34 | 109.5° | 110.9° |
| H35 | C23 | H36 | 109.5° | 110.8° |
| H38 | N11 | H39 | 120.0° | 120.0° |
| H40 | C17 | H41 | 109.5° | 109.5° |
| H42 | C18 | H43 | 109.5° | 109.5° |
| H44 | C19 | H45 | 109.4° | 109.5° |
| H49 | N9 | H50 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C6 | C7 | C5 | 120.1° | 120.0° |
| C8 | C6 | C7 | H17 | 120.0° | 120.0° |
| C8 | C6 | C5 | H17 | 121.7° | 119.9° |
| C8 | C6 | C5 | C4 | 126.8° | 175.0° |
| C8 | C6 | C5 | H15 | 112.4° | 65.0° |
| C8 | C6 | C5 | H16 | 6.0° | 55.0° |
| C6 | C8 | H18 | H19 | 120.0° | 120.0° |
| C6 | C8 | H18 | H20 | 120.0° | 120.0° |
| C6 | C8 | H19 | H20 | 120.0° | 119.9° |
| C8 | C6 | C7 | H21 | 180.0° | 60.0° |
| C8 | C6 | C7 | H22 | 60.0° | 60.0° |
| C8 | C6 | C7 | H23 | 60.0° | 180.0° |
| C7 | C6 | C5 | H17 | 119.9° | 120.0° |
| C7 | C6 | C5 | C4 | 114.7° | 65.0° |
| C7 | C6 | C5 | H15 | 6.1° | 55.0° |
| C7 | C6 | C5 | H16 | 124.4° | 175.0° |
| C7 | C6 | C8 | H18 | 180.0° | 180.0° |
| C7 | C6 | C8 | H19 | 60.0° | 60.0° |
| C7 | C6 | C8 | H20 | 60.0° | 59.9° |
| C6 | C7 | H21 | H22 | 120.0° | 120.0° |
| C6 | C7 | H21 | H23 | 120.0° | 120.0° |
| C6 | C7 | H22 | H23 | 120.0° | 120.0° |
| C6 | C5 | C4 | H15 | 120.8° | 120.0° |
| C6 | C5 | C4 | H16 | 120.8° | 120.0° |
| C6 | C5 | C4 | C9 | 165.7° | 175.0° |
| C6 | C5 | C4 | N1 | 21.9° | 65.0° |
| C6 | C5 | C4 | H14 | 88.0° | 55.0° |
| C6 | C5 | H15 | H16 | 117.5° | 120.0° |
| C5 | C6 | C8 | H18 | 61.6° | 60.0° |
| C5 | C6 | C8 | H19 | 58.4° | 180.0° |
| C5 | C6 | C8 | H20 | 178.3° | 60.1° |
| C5 | C6 | C7 | H21 | 59.9° | 60.0° |
| C5 | C6 | C7 | H22 | 179.9° | 180.0° |
| C5 | C6 | C7 | H23 | 60.1° | 60.0° |
| C5 | C4 | C9 | N1 | 145.2° | 120.0° |
| C5 | C4 | C9 | H14 | 106.2° | 120.0° |
| C5 | C4 | N1 | H14 | 109.7° | 120.0° |
| C5 | C4 | C9 | O3 | 1.4° | 120.0° |
| C5 | C4 | C9 | N2 | 173.8° | 60.0° |
| C5 | C4 | N1 | C3 | 62.4° | 85.0° |
| C4 | C5 | H15 | H16 | 117.4° | 120.0° |
| C4 | C5 | C6 | H17 | 5.1° | 55.0° |
| C5 | C4 | N1 | H24 | 117.7° | 94.7° |
| N4 | C14 | N3 | N5 | 179.8° | 180.0° |
| N4 | C14 | N3 | C13 | 179.9° | 0.0° |
| N4 | C14 | N3 | H10 | 0.1° | 179.9° |
| N4 | C14 | N5 | H11 | 179.8° | 180.0° |
| N4 | C14 | N5 | H12 | 0.3° | 0.0° |
| C9 | C4 | N1 | H14 | 108.5° | 120.0° |
| C4 | C9 | O3 | N2 | 174.6° | 179.9° |
| C9 | C4 | N1 | C3 | 79.5° | 155.0° |
| C4 | C9 | N2 | C10 | 155.0° | 180.0° |
| C4 | C9 | N2 | H1 | 25.1° | 0.1° |
| C9 | C4 | C5 | H15 | 44.9° | 55.0° |
| C9 | C4 | C5 | H16 | 73.5° | 65.0° |
| C9 | C4 | N1 | H24 | 100.5° | 25.3° |
| N1 | C4 | C9 | O3 | 143.8° | 0.0° |
| N1 | C4 | C9 | N2 | 41.0° | 179.9° |
| C4 | N1 | C3 | H24 | 180.0° | 179.7° |
| C4 | N1 | C3 | O2 | 2.5° | 0.3° |
| C4 | N1 | C3 | C2 | 177.7° | 179.7° |
| N1 | C4 | C5 | H15 | 98.9° | 175.0° |
| N1 | C4 | C5 | H16 | 142.7° | 55.1° |
| O3 | C9 | N2 | C10 | 20.0° | 0.1° |
| O3 | C9 | N2 | H1 | 160.0° | 180.0° |
| O3 | C9 | C4 | H14 | 107.6° | 120.0° |
| C14 | N3 | C13 | H10 | 180.0° | 179.9° |
| C14 | N3 | C13 | C12 | 166.5° | 180.0° |
| C14 | N3 | C13 | H8 | 47.0° | 60.0° |
| C14 | N3 | C13 | H9 | 74.0° | 60.0° |
| N3 | C14 | N5 | H11 | 0.0° | 0.0° |
| N3 | C14 | N5 | H12 | 180.0° | 180.0° |
| N3 | C14 | N4 | H13 | 179.8° | 180.0° |
| N5 | C14 | N3 | C13 | 0.4° | 180.0° |
| N5 | C14 | N3 | H10 | 179.7° | 0.0° |
| C14 | N5 | H11 | H12 | 180.0° | 179.9° |
| N5 | C14 | N4 | H13 | 0.0° | 0.0° |
| C9 | N2 | C10 | H1 | 180.0° | 179.9° |
| C9 | N2 | C10 | C11 | 104.4° | 180.0° |
| C9 | N2 | C10 | H2 | 135.3° | 60.0° |
| C9 | N2 | C10 | H3 | 15.9° | 60.0° |
| N2 | C9 | C4 | H14 | 67.6° | 60.0° |
| N3 | C13 | C12 | C11 | 76.8° | 180.0° |
| N3 | C13 | C12 | H8 | 119.5° | 119.9° |
| N3 | C13 | C12 | H9 | 119.5° | 120.0° |
| N3 | C13 | C12 | H6 | 43.5° | 60.1° |
| N3 | C13 | C12 | H7 | 162.9° | 60.0° |
| N3 | C13 | H8 | H9 | 121.5° | 120.0° |
| N1 | C3 | O2 | C2 | 179.7° | 180.0° |
| N1 | C3 | C2 | C1 | 88.3° | 65.0° |
| N1 | C3 | C2 | O1 | 34.3° | 175.0° |
| C3 | N1 | C4 | H14 | 172.0° | 35.0° |
| N1 | C3 | C2 | H25 | 152.7° | 55.0° |
| O2 | C3 | C2 | C1 | 91.9° | 115.0° |
| O2 | C3 | C2 | O1 | 145.5° | 5.0° |
| O2 | C3 | N1 | H24 | 177.4° | 180.0° |
| O2 | C3 | C2 | H25 | 27.0° | 125.0° |
| C3 | C2 | C1 | O1 | 123.9° | 120.0° |
| C3 | C2 | C1 | H25 | 119.1° | 120.0° |
| C3 | C2 | C1 | C15 | 174.0° | 175.0° |
| C3 | C2 | O1 | H25 | 117.9° | 120.0° |
| C2 | C3 | N1 | H24 | 2.3° | 0.0° |
| C3 | C2 | O1 | H26 | 180.0° | 60.0° |
| C3 | C2 | C1 | H27 | 54.1° | 65.1° |
| C3 | C2 | C1 | H28 | 66.2° | 55.0° |
| C2 | C1 | C15 | H27 | 119.9° | 120.0° |
| C2 | C1 | C15 | H28 | 119.8° | 120.0° |
| C2 | C1 | C15 | N6 | 120.1° | 180.0° |
| C1 | C2 | O1 | H25 | 116.3° | 120.0° |
| C2 | C1 | C15 | O4 | 59.4° | 0.0° |
| C1 | C2 | O1 | H26 | 54.2° | 60.0° |
| C2 | C1 | H27 | H28 | 120.5° | 120.1° |
| C1 | C15 | N6 | O4 | 179.5° | 179.9° |
| C1 | C15 | N6 | C16 | 176.8° | 180.0° |
| C15 | C1 | C2 | O1 | 50.1° | 65.0° |
| C15 | C1 | C2 | H25 | 66.9° | 55.1° |
| C15 | C1 | H27 | H28 | 120.5° | 120.0° |
| C1 | C15 | N6 | H29 | 3.2° | 0.1° |
| O6 | C26 | N11 | C22 | 179.9° | 180.0° |
| O6 | C26 | C22 | N10 | 59.3° | 0.0° |
| O6 | C26 | C22 | C23 | 61.3° | 117.8° |
| O6 | C26 | C22 | H37 | 179.2° | 121.1° |
| O6 | C26 | N11 | H38 | 0.0° | 180.0° |
| O6 | C26 | N11 | H39 | 180.0° | 0.1° |
| N2 | C10 | C11 | C12 | 35.6° | 180.0° |
| N2 | C10 | C11 | H2 | 120.3° | 119.9° |
| N2 | C10 | C11 | H3 | 120.3° | 120.0° |
| N2 | C10 | H2 | H3 | 119.1° | 120.0° |
| N2 | C10 | C11 | H4 | 84.8° | 60.0° |
| N2 | C10 | C11 | H5 | 156.0° | 59.9° |
| N11 | C26 | C22 | N10 | 120.6° | 180.0° |
| N11 | C26 | C22 | C23 | 118.8° | 62.2° |
| N11 | C26 | C22 | H37 | 0.9° | 58.9° |
| C26 | N11 | H38 | H39 | 180.0° | 179.9° |
| O5 | C21 | C16 | N6 | 15.9° | 27.1° |
| O5 | C21 | C16 | C17 | 104.9° | 92.9° |
| O5 | C21 | C16 | N10 | 176.2° | 180.0° |
| O5 | C21 | N10 | C22 | 4.1° | 4.9° |
| O5 | C21 | N10 | C25 | 172.2° | 175.4° |
| O5 | C21 | C16 | H30 | 136.0° | 147.1° |
| C15 | N6 | C16 | H29 | 180.0° | 179.9° |
| C15 | N6 | C16 | C17 | 159.9° | 155.0° |
| C15 | N6 | C16 | C21 | 77.3° | 85.0° |
| N6 | C15 | C1 | H27 | 0.2° | 60.1° |
| N6 | C15 | C1 | H28 | 120.1° | 60.0° |
| C15 | N6 | C16 | H30 | 42.4° | 34.9° |
| N6 | C16 | C17 | C21 | 122.5° | 120.0° |
| N6 | C16 | C17 | H30 | 118.2° | 120.0° |
| N6 | C16 | C17 | C18 | 90.6° | 64.4° |
| C16 | N6 | C15 | O4 | 2.7° | 0.1° |
| N6 | C16 | C21 | H30 | 120.1° | 120.0° |
| N6 | C16 | C21 | N10 | 160.3° | 152.9° |
| N6 | C16 | C17 | H40 | 29.3° | 55.5° |
| N6 | C16 | C17 | H41 | 149.6° | 175.6° |
| C12 | C11 | C10 | H4 | 120.4° | 120.0° |
| C12 | C11 | C10 | H5 | 120.4° | 120.1° |
| C11 | C12 | C13 | H6 | 120.3° | 119.9° |
| C11 | C12 | C13 | H7 | 120.3° | 120.0° |
| C12 | C11 | C10 | H2 | 84.7° | 60.1° |
| C12 | C11 | C10 | H3 | 155.9° | 60.0° |
| C12 | C11 | H4 | H5 | 118.9° | 120.0° |
| C11 | C12 | H6 | H7 | 119.2° | 119.9° |
| C11 | C12 | C13 | H8 | 42.7° | 60.1° |
| C11 | C12 | C13 | H9 | 163.7° | 60.0° |
| C10 | C11 | C12 | C13 | 175.1° | 180.0° |
| C11 | C10 | N2 | H1 | 75.6° | 0.1° |
| C11 | C10 | H2 | H3 | 119.1° | 120.0° |
| C10 | C11 | H4 | H5 | 118.9° | 120.0° |
| C10 | C11 | C12 | H6 | 64.6° | 60.0° |
| C10 | C11 | C12 | H7 | 54.9° | 59.9° |
| C16 | C17 | C18 | H40 | 119.8° | 120.0° |
| C16 | C17 | C18 | H41 | 119.8° | 120.0° |
| C17 | C16 | C21 | H30 | 119.1° | 120.0° |
| C17 | C16 | C21 | N10 | 78.9° | 87.1° |
| C16 | C17 | C18 | C19 | 151.7° | 180.0° |
| C17 | C16 | N6 | H29 | 20.1° | 25.0° |
| C16 | C17 | H40 | H41 | 120.4° | 120.1° |
| C16 | C17 | C18 | H42 | 31.4° | 60.0° |
| C16 | C17 | C18 | H43 | 88.1° | 60.0° |
| C18 | C17 | C16 | C21 | 146.9° | 175.6° |
| C17 | C18 | C19 | H42 | 120.2° | 120.0° |
| C17 | C18 | C19 | H43 | 120.2° | 120.0° |
| C17 | C18 | C19 | N7 | 75.2° | 180.0° |
| C18 | C17 | C16 | H30 | 27.6° | 55.6° |
| C18 | C17 | H40 | H41 | 120.5° | 120.0° |
| C17 | C18 | H42 | H43 | 119.3° | 120.0° |
| C17 | C18 | C19 | H44 | 165.5° | 60.0° |
| C17 | C18 | C19 | H45 | 44.2° | 60.0° |
| C13 | C12 | C11 | H4 | 64.5° | 60.0° |
| C13 | C12 | C11 | H5 | 54.7° | 59.9° |
| C13 | C12 | H6 | H7 | 119.2° | 120.1° |
| C12 | C13 | H8 | H9 | 121.5° | 120.0° |
| C12 | C13 | N3 | H10 | 13.5° | 0.1° |
| C26 | C22 | N10 | C21 | 45.9° | 59.5° |
| C26 | C22 | N10 | C23 | 125.2° | 119.4° |
| C26 | C22 | N10 | H37 | 121.2° | 121.2° |
| C26 | C22 | N10 | C25 | 137.3° | 120.7° |
| C26 | C22 | C23 | H37 | 118.0° | 121.2° |
| C26 | C22 | C23 | C24 | 157.2° | 97.2° |
| C26 | C22 | C23 | H35 | 38.1° | 21.1° |
| C26 | C22 | C23 | H36 | 83.7° | 144.4° |
| C22 | C26 | N11 | H38 | 179.9° | 0.1° |
| C22 | C26 | N11 | H39 | 0.1° | 180.0° |
| O1 | C2 | C1 | H27 | 69.8° | 54.9° |
| O1 | C2 | C1 | H28 | 169.9° | 175.0° |
| O4 | C15 | C1 | H27 | 179.3° | 120.0° |
| O4 | C15 | C1 | H28 | 60.4° | 120.0° |
| O4 | C15 | N6 | H29 | 177.3° | 180.0° |
| C16 | C21 | N10 | C22 | 179.9° | 175.1° |
| C16 | C21 | N10 | C25 | 3.8° | 4.6° |
| C21 | C16 | N6 | H29 | 102.7° | 95.0° |
| C21 | C16 | C17 | H40 | 93.3° | 64.5° |
| C21 | C16 | C17 | H41 | 27.1° | 55.6° |
| C21 | N10 | C22 | C25 | 176.8° | 179.7° |
| C21 | N10 | C22 | C23 | 171.0° | 179.0° |
| C21 | N10 | C25 | C24 | 166.6° | 155.8° |
| N10 | C21 | C16 | H30 | 40.2° | 32.9° |
| C21 | N10 | C25 | H31 | 47.4° | 85.2° |
| C21 | N10 | C25 | H32 | 74.2° | 37.1° |
| C21 | N10 | C22 | H37 | 75.3° | 61.6° |
| C18 | C19 | N7 | H44 | 119.3° | 120.0° |
| C18 | C19 | N7 | H45 | 119.4° | 120.0° |
| C18 | C19 | N7 | C20 | 79.9° | 180.0° |
| C19 | C18 | C17 | H40 | 88.5° | 60.0° |
| C19 | C18 | C17 | H41 | 31.9° | 60.0° |
| C19 | C18 | H42 | H43 | 119.3° | 120.0° |
| C18 | C19 | H44 | H45 | 121.9° | 120.0° |
| C18 | C19 | N7 | H46 | 100.1° | 0.0° |
| C19 | N7 | C20 | H46 | 180.0° | 179.9° |
| C19 | N7 | C20 | N8 | 0.3° | 0.0° |
| C19 | N7 | C20 | N9 | 180.0° | 180.0° |
| N7 | C19 | C18 | H42 | 45.1° | 60.0° |
| N7 | C19 | C18 | H43 | 164.6° | 60.0° |
| N7 | C19 | H44 | H45 | 121.9° | 120.0° |
| N10 | C22 | C23 | H37 | 114.2° | 119.4° |
| N10 | C22 | C23 | C24 | 29.4° | 22.2° |
| C22 | N10 | C25 | C24 | 10.0° | 24.5° |
| C22 | N10 | C25 | H31 | 129.2° | 94.5° |
| C22 | N10 | C25 | H32 | 109.3° | 143.2° |
| N10 | C22 | C23 | H35 | 89.7° | 140.6° |
| N10 | C22 | C23 | H36 | 148.5° | 96.2° |
| C25 | N10 | C22 | C23 | 12.2° | 1.3° |
| N10 | C25 | C24 | C23 | 28.1° | 37.3° |
| N10 | C25 | C24 | H31 | 119.2° | 118.9° |
| N10 | C25 | C24 | H32 | 119.2° | 118.8° |
| N10 | C25 | H31 | H32 | 122.3° | 122.3° |
| N10 | C25 | C24 | H33 | 147.2° | 80.7° |
| N10 | C25 | C24 | H34 | 91.0° | 155.3° |
| C25 | N10 | C22 | H37 | 101.5° | 118.1° |
| C22 | C23 | C24 | H35 | 119.1° | 118.4° |
| C22 | C23 | C24 | H36 | 119.1° | 118.4° |
| C22 | C23 | C24 | C25 | 35.6° | 35.7° |
| C22 | C23 | C24 | H33 | 154.7° | 82.6° |
| C22 | C23 | C24 | H34 | 83.5° | 153.6° |
| C22 | C23 | H35 | H36 | 122.6° | 123.2° |
| N7 | C20 | N8 | N9 | 179.7° | 180.0° |
| C20 | N7 | C19 | H44 | 39.4° | 60.0° |
| C20 | N7 | C19 | H45 | 160.7° | 60.0° |
| N7 | C20 | N8 | H47 | 179.7° | 180.0° |
| N7 | C20 | N9 | H49 | 179.7° | 0.0° |
| N7 | C20 | N9 | H50 | 0.3° | 180.0° |
| C23 | C24 | C25 | H33 | 119.1° | 118.0° |
| C23 | C24 | C25 | H34 | 119.1° | 118.0° |
| C23 | C24 | C25 | H31 | 147.3° | 81.6° |
| C23 | C24 | C25 | H32 | 91.1° | 156.1° |
| C23 | C24 | H33 | H34 | 122.6° | 123.9° |
| C24 | C23 | H35 | H36 | 122.6° | 123.2° |
| C24 | C23 | C22 | H37 | 84.8° | 141.6° |
| C24 | C25 | H31 | H32 | 122.3° | 122.3° |
| C25 | C24 | H33 | H34 | 122.6° | 124.0° |
| C25 | C24 | C23 | H35 | 83.5° | 154.0° |
| C25 | C24 | C23 | H36 | 154.7° | 82.7° |
| N8 | C20 | N7 | H46 | 179.7° | 180.0° |
| N8 | C20 | N9 | H49 | 0.0° | 180.0° |
| N8 | C20 | N9 | H50 | 180.0° | 0.1° |
| N9 | C20 | N7 | H46 | 0.0° | 0.0° |
| N9 | C20 | N8 | H47 | 0.0° | 0.0° |
| C20 | N9 | H49 | H50 | 180.0° | 179.9° |
| H1 | N2 | C10 | H2 | 44.7° | 120.0° |
| H1 | N2 | C10 | H3 | 164.1° | 119.9° |
| H2 | C10 | C11 | H4 | 154.9° | 180.0° |
| H2 | C10 | C11 | H5 | 35.7° | 60.0° |
| H3 | C10 | C11 | H4 | 35.5° | 60.0° |
| H3 | C10 | C11 | H5 | 83.7° | 179.9° |
| H4 | C11 | C12 | H6 | 55.8° | 180.0° |
| H4 | C11 | C12 | H7 | 175.2° | 60.0° |
| H5 | C11 | C12 | H6 | 175.0° | 60.0° |
| H5 | C11 | C12 | H7 | 65.5° | 180.0° |
| H6 | C12 | C13 | H8 | 163.0° | 180.0° |
| H6 | C12 | C13 | H9 | 76.0° | 59.9° |
| H7 | C12 | C13 | H8 | 77.6° | 59.9° |
| H7 | C12 | C13 | H9 | 43.4° | 180.0° |
| H8 | C13 | N3 | H10 | 133.0° | 120.0° |
| H9 | C13 | N3 | H10 | 106.0° | 119.9° |
| H14 | C4 | C5 | H15 | 151.2° | 65.0° |
| H14 | C4 | C5 | H16 | 32.9° | 175.0° |
| H14 | C4 | N1 | H24 | 8.0° | 145.3° |
| H15 | C5 | C6 | H17 | 125.9° | 175.0° |
| H16 | C5 | C6 | H17 | 115.7° | 65.0° |
| H17 | C6 | C8 | H18 | 60.1° | 60.0° |
| H17 | C6 | C8 | H19 | 179.9° | 60.1° |
| H17 | C6 | C8 | H20 | 59.9° | 180.0° |
| H17 | C6 | C7 | H21 | 60.1° | NaN° |
| H17 | C6 | C7 | H22 | 59.9° | 60.0° |
| H17 | C6 | C7 | H23 | 179.9° | 60.0° |
| H18 | C8 | H19 | H20 | 120.0° | 120.0° |
| H21 | C7 | H22 | H23 | 120.0° | 120.0° |
| H25 | C2 | O1 | H26 | 62.1° | 180.0° |
| H25 | C2 | C1 | H27 | 173.2° | 175.0° |
| H25 | C2 | C1 | H28 | 52.9° | 65.0° |
| H29 | N6 | C16 | H30 | 137.6° | 145.0° |
| H30 | C16 | C17 | H40 | 147.5° | 175.6° |
| H30 | C16 | C17 | H41 | 92.2° | 64.4° |
| H31 | C25 | C24 | H33 | 93.6° | 160.4° |
| H31 | C25 | C24 | H34 | 28.2° | 36.4° |
| H32 | C25 | C24 | H33 | 28.0° | 38.0° |
| H32 | C25 | C24 | H34 | 149.8° | 85.9° |
| H33 | C24 | C23 | H35 | 35.6° | 35.8° |
| H33 | C24 | C23 | H36 | 86.2° | 159.1° |
| H34 | C24 | C23 | H35 | 157.4° | 88.0° |
| H34 | C24 | C23 | H36 | 35.6° | 35.2° |
| H35 | C23 | C22 | H37 | 156.1° | 100.0° |
| H36 | C23 | C22 | H37 | 34.3° | 23.2° |
| H40 | C17 | C18 | H42 | 151.3° | 179.9° |
| H40 | C17 | C18 | H43 | 31.7° | 60.0° |
| H41 | C17 | C18 | H42 | 88.4° | 60.0° |
| H41 | C17 | C18 | H43 | 152.1° | 180.0° |
| H42 | C18 | C19 | H44 | 74.3° | 180.0° |
| H42 | C18 | C19 | H45 | 164.4° | 60.0° |
| H43 | C18 | C19 | H44 | 45.2° | 60.0° |
| H43 | C18 | C19 | H45 | 76.0° | NaN° |
| H44 | C19 | N7 | H46 | 140.5° | 119.9° |
| H45 | C19 | N7 | H46 | 19.2° | 120.1° |
