7ON
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.55Å | 1.51Å | |
| C27 | C28 | sing | 1.55Å | 1.51Å | |
| C26 | C25 | sing | 1.54Å | 1.52Å | |
| C28 | C29 | sing | 1.54Å | 1.53Å | |
| C25 | C29 | sing | 1.54Å | 1.53Å | |
| C25 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C8 | sing | 1.35Å | 1.33Å | |
| C8 | O2 | doub | 1.21Å | 1.22Å | |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| O6 | C7 | sing | 1.43Å | 1.40Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C16 | C13 | sing | 1.54Å | 1.53Å | |
| C16 | C15 | sing | 1.54Å | 1.52Å | |
| C13 | C12 | sing | 1.56Å | 1.54Å | |
| C13 | C10 | sing | 1.54Å | 1.53Å | |
| O3 | C9 | doub | 1.21Å | 1.23Å | |
| C6 | N3 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.55Å | 1.52Å | |
| C12 | C14 | sing | 1.54Å | 1.54Å | |
| C9 | N3 | sing | 1.35Å | 1.34Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | sing | 1.54Å | 1.51Å | |
| C11 | N4 | sing | 1.47Å | 1.47Å | |
| C10 | N4 | sing | 1.47Å | 1.46Å | |
| C5 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.55Å | 1.52Å | |
| C2 | C3 | sing | 1.54Å | 1.52Å | |
| N4 | C17 | sing | 1.35Å | 1.34Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C19 | sing | 1.53Å | 1.53Å | |
| C1 | C4 | sing | 1.51Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C3 | N1 | sing | 1.47Å | 1.45Å | |
| C17 | O4 | doub | 1.21Å | 1.24Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | N5 | sing | 1.47Å | 1.46Å | |
| O5 | C30 | doub | 1.21Å | 1.21Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| N1 | C4 | sing | 1.34Å | 1.32Å | |
| C4 | O1 | doub | 1.21Å | 1.24Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| N5 | C30 | sing | 1.35Å | 1.33Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| F3 | C31 | sing | 1.40Å | 1.33Å | |
| C31 | F1 | sing | 1.40Å | 1.33Å | |
| C31 | F2 | sing | 1.40Å | 1.32Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| O6 | H46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C28 | 105.5° | 102.7° |
| C27 | C26 | C25 | 104.9° | 104.2° |
| C27 | C26 | H38 | 110.6° | 110.5° |
| C27 | C26 | H39 | 110.6° | 110.6° |
| C26 | C27 | H40 | 110.5° | 110.8° |
| C26 | C27 | H41 | 110.5° | 110.8° |
| C27 | C28 | C29 | 107.2° | 104.2° |
| C28 | C27 | H40 | 110.4° | 110.8° |
| C28 | C27 | H41 | 110.5° | 110.7° |
| C27 | C28 | H42 | 110.0° | 110.5° |
| C27 | C28 | H43 | 110.0° | 110.5° |
| C26 | C25 | C29 | 104.6° | 106.6° |
| C26 | C25 | N2 | 113.1° | 110.1° |
| C26 | C25 | H37 | 108.6° | 110.1° |
| C25 | C26 | H38 | 110.6° | 110.5° |
| C25 | C26 | H39 | 110.6° | 110.5° |
| C28 | C29 | C25 | 106.5° | 106.6° |
| C29 | C28 | H42 | 110.1° | 110.5° |
| C29 | C28 | H43 | 110.0° | 110.5° |
| C28 | C29 | H44 | 110.2° | 110.0° |
| C28 | C29 | H45 | 110.2° | 110.0° |
| C29 | C25 | N2 | 112.3° | 110.0° |
| C29 | C25 | H37 | 108.5° | 110.0° |
| C25 | C29 | H44 | 110.2° | 110.1° |
| C25 | C29 | H45 | 110.2° | 110.0° |
| C25 | N2 | C8 | 122.2° | 120.0° |
| C25 | N2 | H1 | 118.9° | 120.1° |
| N2 | C25 | H37 | 109.5° | 110.0° |
| N2 | C8 | O2 | 123.7° | 120.0° |
| N2 | C8 | C7 | 116.8° | 120.0° |
| C8 | N2 | H1 | 118.9° | 120.0° |
| O2 | C8 | C7 | 118.7° | 120.0° |
| C8 | C7 | O6 | 112.0° | 109.5° |
| C8 | C7 | C6 | 115.3° | 109.5° |
| C8 | C7 | H17 | 104.8° | 109.5° |
| O6 | C7 | C6 | 113.2° | 109.5° |
| O6 | C7 | H17 | 105.9° | 109.5° |
| C7 | O6 | H46 | 109.5° | 114.0° |
| C7 | C6 | N3 | 108.4° | 109.5° |
| C7 | C6 | C5 | 112.2° | 109.5° |
| C7 | C6 | H7 | 108.4° | 109.4° |
| C6 | C7 | H17 | 104.6° | 109.5° |
| C13 | C16 | C15 | 105.3° | 107.2° |
| C16 | C13 | C12 | 103.4° | 104.6° |
| C16 | C13 | C10 | 117.2° | 109.4° |
| C16 | C13 | H23 | 110.5° | 113.2° |
| C13 | C16 | H28 | 110.5° | 109.9° |
| C13 | C16 | H29 | 110.5° | 109.9° |
| C16 | C15 | C14 | 108.1° | 106.6° |
| C16 | C15 | H26 | 109.8° | 110.0° |
| C16 | C15 | H27 | 109.8° | 110.0° |
| C15 | C16 | H28 | 110.5° | 109.9° |
| C15 | C16 | H29 | 110.5° | 109.9° |
| C12 | C13 | C10 | 104.2° | 103.3° |
| C13 | C12 | C11 | 104.0° | 101.9° |
| C13 | C12 | C14 | 103.8° | 103.2° |
| C13 | C12 | H22 | 111.3° | 114.7° |
| C12 | C13 | H23 | 110.4° | 112.9° |
| C13 | C10 | C9 | 112.7° | 109.8° |
| C13 | C10 | N4 | 103.9° | 107.7° |
| C13 | C10 | H19 | 109.6° | 109.9° |
| C10 | C13 | H23 | 110.5° | 112.7° |
| O3 | C9 | N3 | 123.1° | 120.0° |
| O3 | C9 | C10 | 120.7° | 120.0° |
| N3 | C6 | C5 | 110.4° | 109.5° |
| C6 | N3 | C9 | 121.0° | 120.0° |
| N3 | C6 | H7 | 109.1° | 109.5° |
| C6 | N3 | H18 | 119.5° | 119.9° |
| C6 | C5 | C1 | 110.4° | 109.5° |
| C6 | C5 | H5 | 109.2° | 109.5° |
| C6 | C5 | H6 | 109.2° | 109.5° |
| C5 | C6 | H7 | 108.3° | 109.5° |
| C11 | C12 | C14 | 114.3° | 108.4° |
| C12 | C11 | N4 | 102.9° | 105.5° |
| C12 | C11 | H20 | 111.1° | 110.3° |
| C12 | C11 | H21 | 111.1° | 110.4° |
| C11 | C12 | H22 | 111.6° | 113.7° |
| C12 | C14 | C15 | 105.2° | 104.9° |
| C14 | C12 | H22 | 111.3° | 113.7° |
| C12 | C14 | H24 | 110.5° | 110.4° |
| C12 | C14 | H25 | 110.5° | 110.4° |
| N3 | C9 | C10 | 116.2° | 120.0° |
| C9 | N3 | H18 | 119.5° | 120.1° |
| C9 | C10 | N4 | 110.3° | 109.8° |
| C9 | C10 | H19 | 109.7° | 109.8° |
| C15 | C14 | H24 | 110.5° | 110.3° |
| C15 | C14 | H25 | 110.5° | 110.4° |
| C14 | C15 | H26 | 109.8° | 110.0° |
| C14 | C15 | H27 | 109.8° | 110.0° |
| C11 | N4 | C10 | 113.0° | 108.8° |
| C11 | N4 | C17 | 127.3° | 125.7° |
| N4 | C11 | H20 | 111.1° | 110.2° |
| N4 | C11 | H21 | 111.1° | 110.2° |
| C10 | N4 | C17 | 119.7° | 125.6° |
| N4 | C10 | H19 | 110.5° | 109.9° |
| C5 | C1 | C2 | 114.3° | 110.6° |
| C5 | C1 | C4 | 115.8° | 110.5° |
| C5 | C1 | H2 | 107.4° | 110.4° |
| C1 | C5 | H5 | 109.2° | 109.5° |
| C1 | C5 | H6 | 109.3° | 109.4° |
| C1 | C2 | C3 | 105.1° | 101.7° |
| C2 | C1 | C4 | 104.2° | 104.2° |
| C2 | C1 | H2 | 107.4° | 110.5° |
| C1 | C2 | H14 | 110.6° | 111.0° |
| C1 | C2 | H15 | 110.6° | 110.9° |
| C2 | C3 | N1 | 102.7° | 105.5° |
| C2 | C3 | H3 | 111.1° | 110.3° |
| C2 | C3 | H4 | 111.1° | 110.3° |
| C3 | C2 | H14 | 110.5° | 111.0° |
| C3 | C2 | H15 | 110.5° | 111.0° |
| N4 | C17 | O4 | 120.6° | 120.0° |
| N4 | C17 | C18 | 118.4° | 120.0° |
| C23 | C24 | C19 | 112.4° | 109.4° |
| C24 | C23 | C22 | 112.1° | 109.5° |
| C24 | C23 | H12 | 108.8° | 109.4° |
| C24 | C23 | H13 | 108.8° | 109.5° |
| C23 | C24 | H34 | 108.7° | 109.5° |
| C23 | C24 | H35 | 108.7° | 109.5° |
| C24 | C19 | C18 | 111.3° | 109.4° |
| C24 | C19 | C20 | 110.1° | 109.4° |
| C24 | C19 | H31 | 107.8° | 109.5° |
| C19 | C24 | H34 | 108.7° | 109.5° |
| C19 | C24 | H35 | 108.7° | 109.5° |
| C1 | C4 | N1 | 108.7° | 110.1° |
| C1 | C4 | O1 | 125.6° | 125.0° |
| C4 | C1 | H2 | 107.4° | 110.5° |
| C23 | C22 | C21 | 111.6° | 109.4° |
| C23 | C22 | H10 | 108.9° | 109.5° |
| C23 | C22 | H11 | 108.9° | 109.5° |
| C22 | C23 | H12 | 108.8° | 109.4° |
| C22 | C23 | H13 | 108.8° | 109.5° |
| C3 | N1 | C4 | 113.5° | 111.3° |
| N1 | C3 | H3 | 111.1° | 110.3° |
| N1 | C3 | H4 | 111.2° | 110.2° |
| C3 | N1 | H16 | 123.3° | 124.3° |
| O4 | C17 | C18 | 121.0° | 120.0° |
| C17 | C18 | C19 | 111.3° | 109.5° |
| C17 | C18 | N5 | 109.8° | 109.5° |
| C17 | C18 | H30 | 107.5° | 109.5° |
| C19 | C18 | N5 | 112.2° | 109.4° |
| C18 | C19 | C20 | 111.7° | 109.5° |
| C19 | C18 | H30 | 107.4° | 109.5° |
| C18 | C19 | H31 | 107.8° | 109.5° |
| C18 | N5 | C30 | 122.6° | 120.0° |
| N5 | C18 | H30 | 108.4° | 109.4° |
| C18 | N5 | H36 | 118.7° | 120.0° |
| O5 | C30 | N5 | 123.9° | 120.0° |
| O5 | C30 | C31 | 119.1° | 120.0° |
| C19 | C20 | C21 | 112.2° | 109.5° |
| C20 | C19 | H31 | 107.9° | 109.5° |
| C19 | C20 | H32 | 108.8° | 109.4° |
| C19 | C20 | H33 | 108.8° | 109.5° |
| N1 | C4 | O1 | 125.7° | 124.8° |
| C4 | N1 | H16 | 123.3° | 124.4° |
| C20 | C21 | C22 | 112.3° | 109.5° |
| C20 | C21 | H8 | 108.7° | 109.5° |
| C20 | C21 | H9 | 108.8° | 109.5° |
| C21 | C20 | H32 | 108.8° | 109.5° |
| C21 | C20 | H33 | 108.8° | 109.5° |
| C22 | C21 | H8 | 108.7° | 109.5° |
| C22 | C21 | H9 | 108.7° | 109.5° |
| C21 | C22 | H10 | 108.9° | 109.4° |
| C21 | C22 | H11 | 108.9° | 109.5° |
| N5 | C30 | C31 | 117.0° | 120.0° |
| C30 | N5 | H36 | 118.7° | 120.0° |
| C30 | C31 | F3 | 112.4° | 109.5° |
| C30 | C31 | F1 | 111.9° | 109.5° |
| C30 | C31 | F2 | 111.4° | 109.5° |
| F3 | C31 | F1 | 107.1° | 109.5° |
| F3 | C31 | F2 | 106.7° | 109.4° |
| F1 | C31 | F2 | 107.0° | 109.5° |
| H3 | C3 | H4 | 109.5° | 110.2° |
| H5 | C5 | H6 | 109.5° | 109.4° |
| H8 | C21 | H9 | 109.5° | 109.4° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.4° |
| H14 | C2 | H15 | 109.5° | 110.9° |
| H20 | C11 | H21 | 109.5° | 110.2° |
| H24 | C14 | H25 | 109.5° | 110.4° |
| H26 | C15 | H27 | 109.4° | 110.0° |
| H28 | C16 | H29 | 109.5° | 110.1° |
| H32 | C20 | H33 | 109.5° | 109.4° |
| H34 | C24 | H35 | 109.5° | 109.5° |
| H38 | C26 | H39 | 109.5° | 110.4° |
| H40 | C27 | H41 | 109.5° | 110.8° |
| H42 | C28 | H43 | 109.5° | 110.5° |
| H44 | C29 | H45 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C28 | H40 | 119.4° | 118.3° |
| C26 | C27 | C28 | H41 | 119.4° | 118.3° |
| C27 | C26 | C25 | H38 | 119.3° | 118.7° |
| C27 | C26 | C25 | H39 | 119.3° | 118.8° |
| C26 | C27 | C28 | C29 | 19.3° | 37.9° |
| C27 | C26 | C25 | C29 | 32.9° | 23.6° |
| C27 | C26 | C25 | N2 | 89.6° | 95.6° |
| C27 | C26 | C25 | H37 | 148.5° | 142.9° |
| C27 | C26 | H38 | H39 | 122.1° | 122.6° |
| C26 | C27 | H40 | H41 | 121.8° | 123.3° |
| C26 | C27 | C28 | H42 | 100.3° | 80.7° |
| C26 | C27 | C28 | H43 | 138.9° | 156.7° |
| C28 | C27 | C26 | C25 | 32.4° | 38.0° |
| C27 | C28 | C29 | H42 | 119.6° | 118.7° |
| C27 | C28 | C29 | H43 | 119.6° | 118.7° |
| C27 | C28 | C29 | C25 | 1.1° | 23.6° |
| C28 | C27 | C26 | H38 | 151.7° | 80.8° |
| C28 | C27 | C26 | H39 | 86.8° | 156.6° |
| C28 | C27 | H40 | H41 | 121.9° | 123.3° |
| C27 | C28 | H42 | H43 | 121.1° | 122.6° |
| C27 | C28 | C29 | H44 | 118.5° | 95.7° |
| C27 | C28 | C29 | H45 | 120.6° | 142.9° |
| C26 | C25 | C29 | C28 | 20.9° | 0.0° |
| C26 | C25 | C29 | N2 | 123.0° | 119.3° |
| C26 | C25 | C29 | H37 | 115.8° | 119.3° |
| C26 | C25 | N2 | H37 | 121.3° | 121.5° |
| C26 | C25 | N2 | C8 | 175.4° | 87.8° |
| C26 | C25 | N2 | H1 | 4.5° | 91.8° |
| C25 | C26 | H38 | H39 | 122.1° | 122.5° |
| C25 | C26 | C27 | H40 | 151.8° | 156.3° |
| C25 | C26 | C27 | H41 | 87.0° | 80.3° |
| C26 | C25 | C29 | H44 | 98.7° | 119.3° |
| C26 | C25 | C29 | H45 | 140.4° | 119.3° |
| C28 | C29 | C25 | H44 | 119.5° | 119.3° |
| C28 | C29 | C25 | H45 | 119.5° | 119.3° |
| C28 | C29 | C25 | N2 | 102.2° | 119.3° |
| C28 | C29 | C25 | H37 | 136.6° | 119.3° |
| C29 | C28 | C27 | H40 | 138.7° | 156.3° |
| C29 | C28 | C27 | H41 | 100.0° | 80.4° |
| C29 | C28 | H42 | H43 | 121.1° | 122.6° |
| C28 | C29 | H44 | H45 | 121.3° | 121.4° |
| C29 | C25 | N2 | H37 | 120.6° | 121.4° |
| C29 | C25 | N2 | C8 | 66.4° | 155.0° |
| C29 | C25 | N2 | H1 | 113.6° | 25.3° |
| C29 | C25 | C26 | H38 | 152.1° | 95.1° |
| C29 | C25 | C26 | H39 | 86.4° | 142.4° |
| C25 | C29 | C28 | H42 | 120.7° | 95.1° |
| C25 | C29 | C28 | H43 | 118.6° | 142.3° |
| C25 | C29 | H44 | H45 | 121.4° | 121.4° |
| C25 | N2 | C8 | H1 | 180.0° | 179.7° |
| C25 | N2 | C8 | O2 | 29.3° | 0.3° |
| C25 | N2 | C8 | C7 | 160.9° | 179.7° |
| N2 | C25 | C26 | H38 | 29.6° | 145.7° |
| N2 | C25 | C26 | H39 | 151.1° | 23.1° |
| N2 | C25 | C29 | H44 | 138.3° | 0.0° |
| N2 | C25 | C29 | H45 | 17.3° | 121.4° |
| N2 | C8 | O2 | C7 | 169.6° | 180.0° |
| N2 | C8 | C7 | O6 | 8.3° | 174.9° |
| N2 | C8 | C7 | C6 | 123.1° | 65.0° |
| C8 | N2 | C25 | H37 | 54.1° | 33.7° |
| N2 | C8 | C7 | H17 | 122.6° | 55.0° |
| O2 | C8 | C7 | O6 | 162.0° | 5.0° |
| O2 | C8 | C7 | C6 | 66.6° | 115.0° |
| O2 | C8 | N2 | H1 | 150.7° | 180.0° |
| O2 | C8 | C7 | H17 | 47.7° | 125.0° |
| C8 | C7 | O6 | C6 | 132.4° | 120.0° |
| C8 | C7 | O6 | H17 | 113.6° | 120.0° |
| C8 | C7 | C6 | H17 | 114.5° | 120.0° |
| C8 | C7 | C6 | N3 | 163.7° | 60.0° |
| C8 | C7 | C6 | C5 | 74.2° | 180.0° |
| C7 | C8 | N2 | H1 | 19.1° | 0.0° |
| C8 | C7 | C6 | H7 | 45.4° | 60.0° |
| C8 | C7 | O6 | H46 | 180.0° | 60.1° |
| O6 | C7 | C6 | H17 | 114.8° | 120.0° |
| O6 | C7 | C6 | N3 | 32.9° | 60.0° |
| O6 | C7 | C6 | C5 | 155.1° | 60.0° |
| O6 | C7 | C6 | H7 | 85.3° | 180.0° |
| C7 | C6 | N3 | C5 | 123.2° | 120.0° |
| C7 | C6 | N3 | H7 | 117.8° | 120.0° |
| C7 | C6 | C5 | H7 | 119.6° | 120.0° |
| C7 | C6 | N3 | C9 | 115.1° | 108.6° |
| C7 | C6 | C5 | C1 | 173.7° | 172.7° |
| C7 | C6 | C5 | H5 | 66.2° | 52.7° |
| C7 | C6 | C5 | H6 | 53.5° | 67.3° |
| C7 | C6 | N3 | H18 | 64.9° | 71.4° |
| C6 | C7 | O6 | H46 | 47.6° | 59.9° |
| C13 | C16 | C15 | H28 | 119.3° | 119.4° |
| C13 | C16 | C15 | H29 | 119.3° | 119.3° |
| C16 | C13 | C12 | C10 | 123.1° | 114.5° |
| C16 | C13 | C12 | H23 | 118.2° | 123.4° |
| C16 | C13 | C10 | H23 | 127.8° | 126.8° |
| C16 | C13 | C12 | C11 | 157.7° | 147.2° |
| C16 | C13 | C12 | C14 | 37.9° | 34.8° |
| C16 | C13 | C10 | C9 | 103.0° | 109.8° |
| C13 | C16 | C15 | C14 | 13.5° | 1.3° |
| C16 | C13 | C10 | N4 | 137.5° | 130.6° |
| C16 | C13 | C10 | H19 | 19.4° | 11.0° |
| C16 | C13 | C12 | H22 | 82.0° | 89.4° |
| C13 | C16 | C15 | H26 | 133.3° | 120.6° |
| C13 | C16 | C15 | H27 | 106.3° | 118.0° |
| C13 | C16 | H28 | H29 | 121.9° | 121.1° |
| C15 | C16 | C13 | C12 | 31.7° | 20.8° |
| C15 | C16 | C13 | C10 | 82.3° | 89.4° |
| C16 | C15 | C14 | C12 | 10.1° | 23.2° |
| C16 | C15 | C14 | H26 | 119.8° | 119.3° |
| C16 | C15 | C14 | H27 | 119.8° | 119.3° |
| C15 | C16 | C13 | H23 | 149.9° | 144.1° |
| C16 | C15 | C14 | H24 | 109.3° | 95.6° |
| C16 | C15 | C14 | H25 | 129.4° | 142.1° |
| C16 | C15 | H26 | H27 | 120.6° | 121.4° |
| C15 | C16 | H28 | H29 | 121.9° | 121.2° |
| C12 | C13 | C10 | H23 | 118.6° | 122.1° |
| C13 | C12 | C11 | C14 | 112.5° | 108.4° |
| C13 | C12 | C11 | H22 | 120.1° | 124.1° |
| C13 | C12 | C14 | H22 | 119.9° | 124.9° |
| C12 | C13 | C10 | C9 | 143.4° | 139.2° |
| C13 | C12 | C14 | C15 | 29.6° | 35.7° |
| C13 | C12 | C11 | N4 | 31.3° | 35.0° |
| C12 | C13 | C10 | N4 | 24.0° | 19.6° |
| C12 | C13 | C10 | H19 | 94.2° | 100.1° |
| C13 | C12 | C11 | H20 | 87.7° | 154.0° |
| C13 | C12 | C11 | H21 | 150.3° | 84.0° |
| C13 | C12 | C14 | H24 | 89.7° | 83.0° |
| C13 | C12 | C14 | H25 | 149.0° | 154.6° |
| C12 | C13 | C16 | H28 | 87.6° | 98.6° |
| C12 | C13 | C16 | H29 | 151.1° | 140.2° |
| C13 | C10 | C9 | O3 | 76.1° | 100.3° |
| C10 | C13 | C12 | C11 | 34.6° | 32.7° |
| C10 | C13 | C12 | C14 | 85.2° | 79.7° |
| C13 | C10 | C9 | N3 | 103.7° | 79.8° |
| C13 | C10 | C9 | N4 | 115.6° | 118.3° |
| C13 | C10 | C9 | H19 | 122.4° | 120.8° |
| C13 | C10 | N4 | C11 | 4.4° | 2.4° |
| C13 | C10 | N4 | H19 | 117.5° | 119.7° |
| C13 | C10 | N4 | C17 | 175.6° | 177.6° |
| C10 | C13 | C12 | H22 | 154.9° | 156.1° |
| C10 | C13 | C16 | H28 | 158.4° | 151.3° |
| C10 | C13 | C16 | H29 | 37.1° | 30.0° |
| O3 | C9 | N3 | C6 | 8.5° | 4.9° |
| O3 | C9 | N3 | C10 | 179.8° | 180.0° |
| O3 | C9 | C10 | N4 | 39.5° | 18.0° |
| O3 | C9 | N3 | H18 | 171.5° | 175.1° |
| O3 | C9 | C10 | H19 | 161.5° | 138.9° |
| N3 | C6 | C5 | H7 | 119.4° | 120.0° |
| C6 | N3 | C9 | H18 | 180.0° | 180.0° |
| C6 | N3 | C9 | C10 | 171.3° | 175.2° |
| N3 | C6 | C5 | C1 | 65.3° | 67.2° |
| N3 | C6 | C5 | H5 | 54.8° | 172.7° |
| N3 | C6 | C5 | H6 | 174.5° | 52.8° |
| N3 | C6 | C7 | H17 | 81.8° | 180.0° |
| C5 | C6 | N3 | C9 | 121.6° | 131.4° |
| C6 | C5 | C1 | H5 | 120.1° | 120.1° |
| C6 | C5 | C1 | H6 | 120.2° | 120.0° |
| C6 | C5 | C1 | C2 | 61.9° | 173.0° |
| C6 | C5 | C1 | C4 | 177.0° | 72.1° |
| C6 | C5 | C1 | H2 | 57.1° | 50.4° |
| C6 | C5 | H5 | H6 | 119.6° | 120.0° |
| C5 | C6 | N3 | H18 | 58.4° | 48.6° |
| C5 | C6 | C7 | H17 | 40.3° | 60.0° |
| C11 | C12 | C14 | H22 | 127.5° | 127.5° |
| C11 | C12 | C14 | C15 | 142.2° | 143.3° |
| C12 | C11 | N4 | H20 | 119.0° | 119.0° |
| C12 | C11 | N4 | H21 | 118.9° | 119.1° |
| C12 | C11 | N4 | C10 | 17.1° | 23.8° |
| C12 | C11 | N4 | C17 | 162.9° | 156.1° |
| C12 | C11 | H20 | H21 | 123.0° | 122.1° |
| C11 | C12 | C13 | H23 | 84.0° | 89.3° |
| C11 | C12 | C14 | H24 | 22.8° | 24.5° |
| C11 | C12 | C14 | H25 | 98.5° | 97.8° |
| C12 | C14 | C15 | H24 | 119.3° | 118.8° |
| C12 | C14 | C15 | H25 | 119.3° | 118.9° |
| C14 | C12 | C11 | N4 | 81.2° | 73.4° |
| C14 | C12 | C11 | H20 | 159.9° | 45.5° |
| C14 | C12 | C11 | H21 | 37.8° | 167.5° |
| C14 | C12 | C13 | H23 | 156.2° | 158.3° |
| C12 | C14 | H24 | H25 | 121.9° | 122.3° |
| C12 | C14 | C15 | H26 | 109.7° | 142.5° |
| C12 | C14 | C15 | H27 | 129.9° | 96.1° |
| N3 | C9 | C10 | N4 | 140.6° | 161.9° |
| C9 | N3 | C6 | H7 | 2.7° | 11.4° |
| N3 | C9 | C10 | H19 | 18.7° | 41.1° |
| C9 | C10 | N4 | C11 | 125.4° | 117.2° |
| C9 | C10 | N4 | H19 | 121.5° | 120.8° |
| C9 | C10 | N4 | C17 | 54.5° | 62.9° |
| C10 | C9 | N3 | H18 | 8.7° | 4.8° |
| C9 | C10 | C13 | H23 | 24.8° | 17.0° |
| C15 | C14 | C12 | H22 | 90.3° | 89.2° |
| C15 | C14 | H24 | H25 | 122.0° | 122.3° |
| C14 | C15 | H26 | H27 | 120.6° | 121.4° |
| C14 | C15 | C16 | H28 | 105.8° | 120.7° |
| C14 | C15 | C16 | H29 | 132.9° | 118.0° |
| C11 | N4 | C10 | C17 | 179.9° | 179.9° |
| C11 | N4 | C17 | O4 | 175.8° | 175.3° |
| C11 | N4 | C17 | C18 | 5.1° | 4.6° |
| C11 | N4 | C10 | H19 | 113.1° | 122.0° |
| N4 | C11 | H20 | H21 | 123.1° | 121.9° |
| N4 | C11 | C12 | H22 | 151.4° | 159.1° |
| C10 | N4 | C17 | O4 | 4.3° | 4.8° |
| C10 | N4 | C17 | C18 | 174.8° | 175.3° |
| C10 | N4 | C11 | H20 | 101.8° | 142.8° |
| C10 | N4 | C11 | H21 | 136.1° | 95.3° |
| N4 | C10 | C13 | H23 | 94.6° | 102.5° |
| C5 | C1 | C2 | C4 | 127.3° | 118.8° |
| C5 | C1 | C2 | H2 | 119.0° | 122.5° |
| C5 | C1 | C2 | C3 | 143.6° | 93.9° |
| C5 | C1 | C4 | H2 | 119.9° | 122.4° |
| C5 | C1 | C4 | N1 | 129.1° | 102.6° |
| C5 | C1 | C4 | O1 | 52.5° | 77.5° |
| C1 | C5 | H5 | H6 | 119.6° | 120.0° |
| C1 | C5 | C6 | H7 | 54.1° | 52.8° |
| C5 | C1 | C2 | H14 | 24.3° | 24.1° |
| C5 | C1 | C2 | H15 | 97.1° | 147.9° |
| C1 | C2 | C3 | H14 | 119.3° | 118.1° |
| C1 | C2 | C3 | H15 | 119.3° | 118.1° |
| C2 | C1 | C4 | H2 | 113.7° | 118.7° |
| C1 | C2 | C3 | N1 | 23.1° | 25.4° |
| C2 | C1 | C4 | N1 | 2.7° | 16.2° |
| C2 | C1 | C4 | O1 | 178.9° | 163.7° |
| C1 | C2 | C3 | H3 | 142.0° | 93.6° |
| C1 | C2 | C3 | H4 | 95.8° | 144.4° |
| C2 | C1 | C5 | H5 | 178.0° | 53.0° |
| C2 | C1 | C5 | H6 | 58.3° | 67.0° |
| C1 | C2 | H14 | H15 | 122.0° | 123.8° |
| C3 | C2 | C1 | C4 | 16.2° | 24.8° |
| C2 | C3 | N1 | H3 | 118.9° | 119.0° |
| C2 | C3 | N1 | H4 | 118.9° | 119.1° |
| C2 | C3 | N1 | C4 | 23.4° | 17.1° |
| C3 | C2 | C1 | H2 | 97.4° | 143.5° |
| C2 | C3 | H3 | H4 | 123.1° | 122.1° |
| C3 | C2 | H14 | H15 | 122.0° | 123.8° |
| C2 | C3 | N1 | H16 | 156.6° | 163.0° |
| N4 | C17 | O4 | C18 | 179.0° | 179.9° |
| N4 | C17 | C18 | C19 | 137.8° | 95.9° |
| N4 | C17 | C18 | N5 | 97.4° | 144.2° |
| C17 | N4 | C10 | H19 | 67.0° | 57.9° |
| C17 | N4 | C11 | H20 | 78.1° | 37.1° |
| C17 | N4 | C11 | H21 | 44.0° | 84.7° |
| N4 | C17 | C18 | H30 | 20.4° | 24.2° |
| C23 | C24 | C19 | H34 | 120.4° | 119.9° |
| C23 | C24 | C19 | H35 | 120.4° | 120.0° |
| C24 | C23 | C22 | H12 | 120.4° | 120.0° |
| C24 | C23 | C22 | H13 | 120.4° | 120.1° |
| C23 | C24 | C19 | C18 | 177.0° | 180.0° |
| C23 | C24 | C19 | C20 | 52.5° | 60.0° |
| C24 | C23 | C22 | C21 | 54.3° | 60.0° |
| C24 | C23 | C22 | H10 | 66.0° | 59.9° |
| C24 | C23 | C22 | H11 | 174.6° | 180.0° |
| C24 | C23 | H12 | H13 | 118.8° | 120.0° |
| C23 | C24 | C19 | H31 | 65.0° | 60.0° |
| C23 | C24 | H34 | H35 | 118.6° | 120.0° |
| C19 | C24 | C23 | C22 | 2.2° | 60.0° |
| C24 | C19 | C18 | C17 | 48.7° | 58.9° |
| C24 | C19 | C18 | C20 | 123.6° | 120.0° |
| C24 | C19 | C18 | H31 | 118.1° | 120.0° |
| C24 | C19 | C18 | N5 | 172.2° | 178.9° |
| C24 | C19 | C20 | H31 | 117.4° | 120.0° |
| C24 | C19 | C20 | C21 | 56.5° | 60.0° |
| C19 | C24 | C23 | H12 | 122.6° | 180.0° |
| C19 | C24 | C23 | H13 | 118.2° | 60.0° |
| C24 | C19 | C18 | H30 | 68.7° | 61.2° |
| C24 | C19 | C20 | H32 | 63.9° | 180.0° |
| C24 | C19 | C20 | H33 | 176.8° | 60.0° |
| C19 | C24 | H34 | H35 | 118.7° | 120.1° |
| C1 | C4 | N1 | C3 | 13.4° | 0.5° |
| C1 | C4 | N1 | O1 | 178.4° | 179.9° |
| C4 | C1 | C5 | H5 | 56.9° | 167.8° |
| C4 | C1 | C5 | H6 | 62.8° | 47.9° |
| C4 | C1 | C2 | H14 | 103.0° | 142.9° |
| C4 | C1 | C2 | H15 | 135.5° | 93.3° |
| C1 | C4 | N1 | H16 | 166.6° | 179.6° |
| C23 | C22 | C21 | C20 | 50.4° | 60.0° |
| C23 | C22 | C21 | H10 | 120.3° | 120.0° |
| C23 | C22 | C21 | H11 | 120.3° | 120.0° |
| C23 | C22 | C21 | H8 | 70.1° | 60.0° |
| C23 | C22 | C21 | H9 | 170.8° | 180.0° |
| C23 | C22 | H10 | H11 | 119.0° | 120.1° |
| C22 | C23 | H12 | H13 | 118.8° | 120.0° |
| C22 | C23 | C24 | H34 | 122.6° | 59.9° |
| C22 | C23 | C24 | H35 | 118.3° | 179.9° |
| C3 | N1 | C4 | H16 | 180.0° | 179.9° |
| C3 | N1 | C4 | O1 | 165.0° | 179.6° |
| N1 | C3 | H3 | H4 | 123.2° | 121.9° |
| N1 | C3 | C2 | H14 | 96.2° | 143.5° |
| N1 | C3 | C2 | H15 | 142.4° | 92.6° |
| O4 | C17 | C18 | C19 | 41.3° | 84.1° |
| O4 | C17 | C18 | N5 | 83.5° | 35.9° |
| O4 | C17 | C18 | H30 | 158.7° | 155.9° |
| C17 | C18 | C19 | N5 | 123.5° | 120.0° |
| C17 | C18 | C19 | H30 | 117.5° | 120.1° |
| C17 | C18 | N5 | H30 | 117.2° | 120.0° |
| C17 | C18 | C19 | C20 | 172.3° | 178.8° |
| C17 | C18 | N5 | C30 | 111.3° | 60.0° |
| C17 | C18 | C19 | H31 | 69.3° | 61.1° |
| C17 | C18 | N5 | H36 | 68.7° | 120.0° |
| C19 | C18 | N5 | H30 | 118.5° | 119.9° |
| C18 | C19 | C20 | H31 | 118.3° | 120.1° |
| C18 | C19 | C20 | C21 | 179.3° | 180.0° |
| C19 | C18 | N5 | C30 | 124.4° | 60.0° |
| C18 | C19 | C20 | H32 | 60.3° | 60.0° |
| C18 | C19 | C20 | H33 | 58.9° | 59.9° |
| C18 | C19 | C24 | H34 | 56.5° | 60.1° |
| C18 | C19 | C24 | H35 | 62.6° | 60.0° |
| C19 | C18 | N5 | H36 | 55.6° | 120.0° |
| C18 | N5 | C30 | O5 | 0.5° | 0.0° |
| N5 | C18 | C19 | C20 | 64.2° | 61.2° |
| C18 | N5 | C30 | H36 | 180.0° | 180.0° |
| C18 | N5 | C30 | C31 | 178.7° | 180.0° |
| N5 | C18 | C19 | H31 | 54.2° | 58.9° |
| O5 | C30 | N5 | C31 | 179.2° | 180.0° |
| O5 | C30 | C31 | F3 | 45.4° | 120.1° |
| O5 | C30 | C31 | F1 | 75.1° | 0.0° |
| O5 | C30 | C31 | F2 | 165.1° | 119.9° |
| O5 | C30 | N5 | H36 | 179.6° | 179.9° |
| C19 | C20 | C21 | H32 | 120.4° | 120.0° |
| C19 | C20 | C21 | H33 | 120.4° | 120.0° |
| C19 | C20 | C21 | C22 | 4.9° | 60.0° |
| C19 | C20 | C21 | H8 | 125.3° | 60.0° |
| C19 | C20 | C21 | H9 | 115.5° | 180.0° |
| C20 | C19 | C18 | H30 | 54.9° | 58.8° |
| C19 | C20 | H32 | H33 | 118.8° | 120.0° |
| C20 | C19 | C24 | H34 | 68.0° | 59.9° |
| C20 | C19 | C24 | H35 | 172.9° | 180.0° |
| N1 | C4 | C1 | H2 | 111.0° | 134.9° |
| C4 | N1 | C3 | H3 | 142.3° | 102.0° |
| C4 | N1 | C3 | H4 | 95.5° | 136.1° |
| O1 | C4 | C1 | H2 | 67.4° | 45.0° |
| O1 | C4 | N1 | H16 | 15.0° | 0.3° |
| C20 | C21 | C22 | H8 | 120.4° | 120.0° |
| C20 | C21 | C22 | H9 | 120.4° | 120.0° |
| C20 | C21 | H8 | H9 | 118.7° | 120.0° |
| C20 | C21 | C22 | H10 | 69.9° | 60.0° |
| C20 | C21 | C22 | H11 | 170.7° | 180.0° |
| C21 | C20 | C19 | H31 | 61.0° | 60.0° |
| C21 | C20 | H32 | H33 | 118.7° | 120.0° |
| C22 | C21 | H8 | H9 | 118.7° | 120.0° |
| C21 | C22 | H10 | H11 | 119.0° | 120.0° |
| C21 | C22 | C23 | H12 | 174.7° | 180.0° |
| C21 | C22 | C23 | H13 | 66.1° | 60.0° |
| C22 | C21 | C20 | H32 | 115.5° | 180.0° |
| C22 | C21 | C20 | H33 | 125.3° | 60.0° |
| N5 | C30 | C31 | F3 | 135.3° | 60.0° |
| N5 | C30 | C31 | F1 | 104.1° | 180.0° |
| N5 | C30 | C31 | F2 | 15.6° | 60.0° |
| C30 | N5 | C18 | H30 | 5.9° | 179.9° |
| C30 | C31 | F3 | F1 | 123.3° | 120.0° |
| C30 | C31 | F3 | F2 | 122.4° | 120.0° |
| C30 | C31 | F1 | F2 | 122.3° | 120.0° |
| C31 | C30 | N5 | H36 | 1.2° | 0.1° |
| F3 | C31 | F1 | F2 | 114.1° | 120.0° |
| H1 | N2 | C25 | H37 | 125.8° | 146.7° |
| H2 | C1 | C5 | H5 | 63.0° | 69.6° |
| H2 | C1 | C5 | H6 | 177.3° | 170.4° |
| H2 | C1 | C2 | H14 | 143.3° | 98.4° |
| H2 | C1 | C2 | H15 | 21.9° | 25.4° |
| H3 | C3 | C2 | H14 | 22.7° | 24.5° |
| H3 | C3 | C2 | H15 | 98.7° | 148.3° |
| H3 | C3 | N1 | H16 | 37.7° | 78.0° |
| H4 | C3 | C2 | H14 | 144.9° | 97.5° |
| H4 | C3 | C2 | H15 | 23.5° | 26.3° |
| H4 | C3 | N1 | H16 | 84.5° | 43.9° |
| H5 | C5 | C6 | H7 | 174.2° | 67.3° |
| H6 | C5 | C6 | H7 | 66.1° | 172.8° |
| H7 | C6 | N3 | H18 | 177.3° | 168.6° |
| H7 | C6 | C7 | H17 | 159.9° | 60.0° |
| H8 | C21 | C22 | H10 | 169.6° | 180.0° |
| H8 | C21 | C22 | H11 | 50.3° | 60.0° |
| H8 | C21 | C20 | H32 | 4.9° | 60.0° |
| H8 | C21 | C20 | H33 | 114.3° | 179.9° |
| H9 | C21 | C22 | H10 | 50.5° | 60.0° |
| H9 | C21 | C22 | H11 | 68.8° | 60.0° |
| H9 | C21 | C20 | H32 | 124.1° | 60.0° |
| H9 | C21 | C20 | H33 | 4.9° | 60.0° |
| H10 | C22 | C23 | H12 | 54.4° | 60.1° |
| H10 | C22 | C23 | H13 | 173.6° | 180.0° |
| H11 | C22 | C23 | H12 | 64.9° | 60.0° |
| H11 | C22 | C23 | H13 | 54.3° | 60.0° |
| H12 | C23 | C24 | H34 | 117.0° | 60.0° |
| H12 | C23 | C24 | H35 | 2.1° | 60.0° |
| H13 | C23 | C24 | H34 | 2.2° | 180.0° |
| H13 | C23 | C24 | H35 | 121.3° | 60.0° |
| H19 | C10 | C13 | H23 | 147.2° | 137.8° |
| H20 | C11 | C12 | H22 | 32.5° | 82.0° |
| H21 | C11 | C12 | H22 | 89.6° | 40.0° |
| H22 | C12 | C13 | H23 | 36.3° | 34.0° |
| H22 | C12 | C14 | H24 | 150.4° | 152.0° |
| H22 | C12 | C14 | H25 | 29.1° | 29.7° |
| H23 | C13 | C16 | H28 | 30.6° | 24.7° |
| H23 | C13 | C16 | H29 | 90.8° | 96.6° |
| H24 | C14 | C15 | H26 | 131.0° | 23.7° |
| H24 | C14 | C15 | H27 | 10.6° | 145.1° |
| H25 | C14 | C15 | H26 | 9.6° | 98.6° |
| H25 | C14 | C15 | H27 | 110.8° | 22.8° |
| H26 | C15 | C16 | H28 | 14.0° | 120.0° |
| H26 | C15 | C16 | H29 | 107.3° | 1.3° |
| H27 | C15 | C16 | H28 | 134.4° | 1.4° |
| H27 | C15 | C16 | H29 | 13.1° | 122.7° |
| H30 | C18 | C19 | H31 | 173.2° | 178.8° |
| H30 | C18 | N5 | H36 | 174.1° | 0.0° |
| H31 | C19 | C20 | H32 | 178.6° | 60.0° |
| H31 | C19 | C20 | H33 | 59.4° | 180.0° |
| H31 | C19 | C24 | H34 | 174.6° | 180.0° |
| H31 | C19 | C24 | H35 | 55.4° | 60.0° |
| H37 | C25 | C26 | H38 | 92.2° | 24.2° |
| H37 | C25 | C26 | H39 | 29.3° | 98.3° |
| H37 | C25 | C29 | H44 | 17.1° | 121.4° |
| H37 | C25 | C29 | H45 | 103.8° | 0.0° |
| H38 | C26 | C27 | H40 | 89.0° | 37.6° |
| H38 | C26 | C27 | H41 | 32.3° | 160.9° |
| H39 | C26 | C27 | H40 | 32.5° | 85.0° |
| H39 | C26 | C27 | H41 | 153.8° | 38.3° |
| H40 | C27 | C28 | H42 | 19.1° | 37.6° |
| H40 | C27 | C28 | H43 | 101.7° | 85.0° |
| H41 | C27 | C28 | H42 | 140.3° | 161.0° |
| H41 | C27 | C28 | H43 | 19.6° | 38.3° |
| H42 | C28 | C29 | H44 | 1.1° | 145.6° |
| H42 | C28 | C29 | H45 | 119.8° | 24.2° |
| H43 | C28 | C29 | H44 | 121.9° | 23.0° |
| H43 | C28 | C29 | H45 | 1.0° | 98.4° |
| H17 | C7 | O6 | H46 | 66.4° | 179.9° |
