X6O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F3 | C16 | sing | 1.40Å | 1.30Å | |
| F1 | C16 | sing | 1.40Å | 1.30Å | |
| C16 | F2 | sing | 1.40Å | 1.30Å | |
| C16 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | C11 | sing | 1.53Å | 1.53Å | |
| C15 | O2 | doub | 1.21Å | 1.21Å | |
| C15 | N2 | sing | 1.35Å | 1.32Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| N2 | C10 | sing | 1.47Å | 1.46Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.51Å | |
| C27 | N5 | sing | 1.46Å | 1.46Å | |
| C9 | O3 | doub | 1.21Å | 1.24Å | |
| C9 | N1 | sing | 1.35Å | 1.33Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| N5 | C28 | sing | 1.33Å | 1.33Å | |
| C28 | O6 | doub | 1.21Å | 1.24Å | |
| C28 | C24 | sing | 1.50Å | 1.51Å | |
| N1 | C8 | sing | 1.48Å | 1.48Å | |
| N1 | C2 | sing | 1.48Å | 1.46Å | |
| C8 | C4 | sing | 1.54Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.54Å | 1.52Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.54Å | 1.53Å | |
| C1 | N3 | sing | 1.35Å | 1.35Å | |
| C5 | C3 | sing | 1.53Å | 1.51Å | |
| C5 | C7 | sing | 1.53Å | 1.51Å | |
| C23 | C17 | sing | 1.53Å | 1.54Å | |
| N3 | C17 | sing | 1.46Å | 1.46Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | O4 | sing | 1.43Å | 1.41Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| O5 | C19 | doub | 1.21Å | 1.23Å | |
| C19 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | C22 | sing | 1.48Å | 1.48Å | |
| N4 | C20 | sing | 1.48Å | 1.46Å | |
| C22 | C21 | sing | 1.54Å | 1.53Å | |
| C20 | C21 | sing | 1.54Å | 1.54Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| N2 | H26 | sing | 0.97Å | 1.00Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| O4 | H28 | sing | 0.97Å | 0.95Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F3 | C16 | F1 | 103.9° | 109.5° |
| F3 | C16 | F2 | 109.4° | 109.5° |
| F3 | C16 | C15 | 114.2° | 109.4° |
| F1 | C16 | F2 | 104.1° | 109.5° |
| F1 | C16 | C15 | 115.4° | 109.5° |
| F2 | C16 | C15 | 109.3° | 109.5° |
| C16 | C15 | O2 | 118.4° | 120.0° |
| C16 | C15 | N2 | 116.0° | 120.0° |
| C14 | C11 | C12 | 108.0° | 109.5° |
| C14 | C11 | C10 | 109.4° | 109.4° |
| C14 | C11 | C13 | 110.6° | 109.5° |
| C11 | C14 | H33 | 109.5° | 109.5° |
| C11 | C14 | H34 | 109.5° | 109.5° |
| C11 | C14 | H35 | 109.5° | 109.5° |
| O2 | C15 | N2 | 125.6° | 120.0° |
| C15 | N2 | C10 | 120.7° | 120.0° |
| C15 | N2 | H26 | 119.6° | 120.0° |
| C12 | C11 | C10 | 113.6° | 109.5° |
| C12 | C11 | C13 | 110.3° | 109.5° |
| C11 | C12 | H30 | 109.5° | 109.5° |
| C11 | C12 | H31 | 109.4° | 109.5° |
| C11 | C12 | H32 | 109.5° | 109.5° |
| N2 | C10 | C11 | 113.0° | 109.5° |
| N2 | C10 | C9 | 108.5° | 109.5° |
| N2 | C10 | H11 | 107.0° | 109.4° |
| C10 | N2 | H26 | 119.7° | 120.0° |
| C10 | C11 | C13 | 104.9° | 109.5° |
| C11 | C10 | C9 | 115.3° | 109.5° |
| C11 | C10 | H11 | 106.1° | 109.5° |
| C11 | C13 | H12 | 109.5° | 109.5° |
| C11 | C13 | H13 | 109.5° | 109.4° |
| C11 | C13 | H14 | 109.5° | 109.5° |
| C10 | C9 | O3 | 121.1° | 120.0° |
| C10 | C9 | N1 | 116.2° | 120.0° |
| C9 | C10 | H11 | 106.4° | 109.4° |
| C26 | C27 | N5 | 111.3° | 110.5° |
| C27 | C26 | C25 | 109.3° | 108.7° |
| C27 | C26 | H23 | 109.5° | 109.5° |
| C27 | C26 | H24 | 109.5° | 109.7° |
| C26 | C27 | H41 | 109.0° | 109.2° |
| C26 | C27 | H42 | 109.0° | 109.3° |
| C27 | N5 | C28 | 127.7° | 124.1° |
| C27 | N5 | H29 | 116.2° | 118.0° |
| N5 | C27 | H41 | 109.0° | 109.3° |
| N5 | C27 | H42 | 109.0° | 109.3° |
| O3 | C9 | N1 | 122.7° | 120.0° |
| C9 | N1 | C8 | 128.7° | 127.8° |
| C9 | N1 | C2 | 118.0° | 127.8° |
| C26 | C25 | C24 | 112.3° | 108.4° |
| C25 | C26 | H23 | 109.5° | 109.6° |
| C25 | C26 | H24 | 109.5° | 109.6° |
| C26 | C25 | H39 | 108.8° | 109.6° |
| C26 | C25 | H40 | 108.8° | 109.7° |
| N5 | C28 | O6 | 120.6° | 118.2° |
| N5 | C28 | C24 | 119.2° | 123.5° |
| C28 | N5 | H29 | 116.1° | 117.9° |
| O6 | C28 | C24 | 120.0° | 118.2° |
| C28 | C24 | C25 | 112.2° | 109.8° |
| C28 | C24 | C23 | 108.1° | 109.4° |
| C28 | C24 | H22 | 107.8° | 109.4° |
| C8 | N1 | C2 | 113.3° | 104.4° |
| N1 | C8 | C4 | 105.2° | 104.6° |
| N1 | C8 | H9 | 110.5° | 110.5° |
| N1 | C8 | H10 | 110.5° | 110.4° |
| N1 | C2 | C1 | 111.0° | 110.4° |
| N1 | C2 | C3 | 105.6° | 104.6° |
| N1 | C2 | H25 | 110.4° | 110.4° |
| C8 | C4 | C5 | 116.5° | 118.1° |
| C8 | C4 | C3 | 108.1° | 105.0° |
| C8 | C4 | H2 | 119.4° | 118.2° |
| C4 | C8 | H9 | 110.5° | 110.4° |
| C4 | C8 | H10 | 110.5° | 110.4° |
| C25 | C24 | C23 | 113.4° | 109.4° |
| C25 | C24 | H22 | 107.5° | 109.4° |
| C24 | C25 | H39 | 108.8° | 109.7° |
| C24 | C25 | H40 | 108.7° | 109.6° |
| C24 | C23 | C17 | 113.7° | 109.5° |
| C23 | C24 | H22 | 107.5° | 109.4° |
| C24 | C23 | H37 | 108.4° | 109.5° |
| C24 | C23 | H38 | 108.4° | 109.4° |
| C6 | C5 | C4 | 119.0° | 117.4° |
| C6 | C5 | C3 | 121.2° | 117.4° |
| C6 | C5 | C7 | 113.2° | 115.5° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 109.4° | 109.5° |
| C1 | C2 | C3 | 110.6° | 110.4° |
| C2 | C1 | O1 | 119.9° | 120.0° |
| C2 | C1 | N3 | 116.3° | 120.0° |
| C1 | C2 | H25 | 109.7° | 110.4° |
| C2 | C3 | C4 | 107.4° | 105.0° |
| C2 | C3 | C5 | 120.4° | 118.1° |
| C3 | C2 | H25 | 109.6° | 110.5° |
| C2 | C3 | H27 | 118.0° | 118.2° |
| O1 | C1 | N3 | 123.7° | 120.0° |
| C5 | C4 | C3 | 59.6° | 59.7° |
| C4 | C5 | C3 | 60.5° | 60.5° |
| C4 | C5 | C7 | 117.7° | 117.5° |
| C5 | C4 | H2 | 119.2° | 119.5° |
| C4 | C3 | C5 | 59.9° | 59.7° |
| C3 | C4 | H2 | 119.1° | 121.8° |
| C4 | C3 | H27 | 117.9° | 121.8° |
| C1 | N3 | C17 | 122.3° | 120.0° |
| C1 | N3 | H1 | 118.8° | 120.0° |
| C3 | C5 | C7 | 115.6° | 117.5° |
| C5 | C3 | H27 | 118.2° | 119.5° |
| C5 | C7 | H6 | 109.5° | 109.5° |
| C5 | C7 | H7 | 109.4° | 109.5° |
| C5 | C7 | H8 | 109.5° | 109.5° |
| C23 | C17 | N3 | 109.3° | 109.5° |
| C23 | C17 | C18 | 118.0° | 109.5° |
| C23 | C17 | H15 | 108.0° | 109.4° |
| C17 | C23 | H37 | 108.4° | 109.5° |
| C17 | C23 | H38 | 108.4° | 109.5° |
| N3 | C17 | C18 | 104.5° | 109.5° |
| C17 | N3 | H1 | 118.9° | 120.0° |
| N3 | C17 | H15 | 108.9° | 109.5° |
| C17 | C18 | O4 | 109.8° | 109.4° |
| C17 | C18 | C19 | 111.7° | 109.5° |
| C18 | C17 | H15 | 107.9° | 109.4° |
| C17 | C18 | H36 | 108.0° | 109.5° |
| O4 | C18 | C19 | 109.5° | 109.5° |
| C18 | O4 | H28 | 109.5° | 113.9° |
| O4 | C18 | H36 | 109.7° | 109.5° |
| C18 | C19 | O5 | 118.1° | 120.0° |
| C18 | C19 | N4 | 121.3° | 120.1° |
| C19 | C18 | H36 | 108.2° | 109.4° |
| O5 | C19 | N4 | 120.6° | 120.0° |
| C19 | N4 | C22 | 139.1° | 134.5° |
| C19 | N4 | C20 | 126.8° | 134.5° |
| C22 | N4 | C20 | 94.0° | 91.0° |
| N4 | C22 | C21 | 87.9° | 86.1° |
| N4 | C22 | H20 | 114.6° | 113.7° |
| N4 | C22 | H21 | 114.5° | 113.9° |
| N4 | C20 | C21 | 88.5° | 86.2° |
| N4 | C20 | H16 | 114.4° | 113.8° |
| N4 | C20 | H17 | 114.4° | 113.9° |
| C22 | C21 | C20 | 88.9° | 86.3° |
| C22 | C21 | H18 | 114.3° | 113.7° |
| C22 | C21 | H19 | 114.3° | 113.8° |
| C21 | C22 | H20 | 114.6° | 113.7° |
| C21 | C22 | H21 | 114.6° | 113.8° |
| C21 | C20 | H16 | 114.5° | 113.7° |
| C21 | C20 | H17 | 114.4° | 113.8° |
| C20 | C21 | H18 | 114.3° | 113.8° |
| C20 | C21 | H19 | 114.4° | 113.8° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H3 | C6 | H5 | 109.4° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.4° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H8 | 109.4° | 109.4° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H9 | C8 | H10 | 109.5° | 110.4° |
| H12 | C13 | H13 | 109.4° | 109.5° |
| H12 | C13 | H14 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 112.9° |
| H18 | C21 | H19 | 109.5° | 113.0° |
| H20 | C22 | H21 | 109.4° | 113.0° |
| H23 | C26 | H24 | 109.5° | 109.6° |
| H30 | C12 | H31 | 109.5° | 109.5° |
| H30 | C12 | H32 | 109.5° | 109.4° |
| H31 | C12 | H32 | 109.5° | 109.5° |
| H33 | C14 | H34 | 109.4° | 109.5° |
| H33 | C14 | H35 | 109.5° | 109.5° |
| H34 | C14 | H35 | 109.5° | 109.5° |
| H37 | C23 | H38 | 109.5° | 109.4° |
| H39 | C25 | H40 | 109.4° | 109.7° |
| H41 | C27 | H42 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F3 | C16 | F1 | F2 | 114.5° | 120.0° |
| F3 | C16 | F1 | C15 | 125.8° | 120.0° |
| F3 | C16 | F2 | C15 | 125.7° | 119.9° |
| F3 | C16 | C15 | O2 | 73.7° | 120.0° |
| F3 | C16 | C15 | N2 | 106.2° | 60.0° |
| F1 | C16 | F2 | C15 | 123.8° | 120.0° |
| F1 | C16 | C15 | O2 | 166.0° | 120.0° |
| F1 | C16 | C15 | N2 | 14.0° | 60.0° |
| F2 | C16 | C15 | O2 | 49.1° | 0.0° |
| F2 | C16 | C15 | N2 | 130.9° | 180.0° |
| C16 | C15 | O2 | N2 | 179.9° | 180.0° |
| C16 | C15 | N2 | C10 | 179.1° | 180.0° |
| C16 | C15 | N2 | H26 | 0.9° | 0.0° |
| C14 | C11 | C12 | C10 | 121.6° | 119.9° |
| C14 | C11 | C12 | C13 | 121.0° | 120.1° |
| C14 | C11 | C10 | N2 | 62.3° | 64.3° |
| C14 | C11 | C10 | C13 | 118.7° | 120.0° |
| C14 | C11 | C10 | C9 | 172.0° | 55.7° |
| C14 | C11 | C10 | H11 | 54.6° | 175.7° |
| C14 | C11 | C13 | H12 | 180.0° | 175.9° |
| C14 | C11 | C13 | H13 | 60.0° | 55.9° |
| C14 | C11 | C13 | H14 | 60.0° | 64.1° |
| C14 | C11 | C12 | H30 | 180.0° | 60.0° |
| C14 | C11 | C12 | H31 | 60.0° | 60.0° |
| C14 | C11 | C12 | H32 | 60.0° | 180.0° |
| C11 | C14 | H33 | H34 | 120.0° | 120.0° |
| C11 | C14 | H33 | H35 | 120.0° | 120.0° |
| C11 | C14 | H34 | H35 | 120.0° | 120.0° |
| O2 | C15 | N2 | C10 | 0.8° | 0.0° |
| O2 | C15 | N2 | H26 | 179.2° | 180.0° |
| C15 | N2 | C10 | H26 | 180.0° | 180.0° |
| C15 | N2 | C10 | C11 | 111.0° | 85.0° |
| C15 | N2 | C10 | C9 | 119.8° | 155.0° |
| C15 | N2 | C10 | H11 | 5.3° | 35.0° |
| C12 | C11 | C10 | N2 | 58.4° | 55.7° |
| C12 | C11 | C10 | C13 | 120.5° | 120.0° |
| C12 | C11 | C10 | C9 | 67.2° | 175.7° |
| C12 | C11 | C10 | H11 | 175.4° | 64.3° |
| C12 | C11 | C13 | H12 | 60.6° | 55.9° |
| C12 | C11 | C13 | H13 | 179.5° | 64.1° |
| C12 | C11 | C13 | H14 | 59.4° | 175.9° |
| C11 | C12 | H30 | H31 | 120.0° | 120.0° |
| C11 | C12 | H30 | H32 | 120.0° | 120.0° |
| C11 | C12 | H31 | H32 | 120.0° | 120.0° |
| C12 | C11 | C14 | H33 | 180.0° | 180.0° |
| C12 | C11 | C14 | H34 | 60.0° | 60.0° |
| C12 | C11 | C14 | H35 | 60.0° | 59.9° |
| N2 | C10 | C11 | C9 | 125.6° | 120.0° |
| N2 | C10 | C11 | H11 | 117.0° | 120.0° |
| N2 | C10 | C11 | C13 | 178.9° | 175.7° |
| N2 | C10 | C9 | H11 | 114.9° | 119.9° |
| N2 | C10 | C9 | O3 | 62.0° | 28.8° |
| N2 | C10 | C9 | N1 | 115.9° | 151.2° |
| C11 | C10 | C9 | H11 | 117.2° | 120.0° |
| C11 | C10 | C9 | O3 | 65.9° | 91.2° |
| C11 | C10 | C9 | N1 | 116.2° | 88.8° |
| C10 | C11 | C13 | H12 | 62.1° | 64.1° |
| C10 | C11 | C13 | H13 | 57.9° | 175.9° |
| C10 | C11 | C13 | H14 | 177.9° | 55.9° |
| C11 | C10 | N2 | H26 | 69.0° | 95.0° |
| C10 | C11 | C12 | H30 | 58.4° | 60.0° |
| C10 | C11 | C12 | H31 | 178.4° | 180.0° |
| C10 | C11 | C12 | H32 | 61.6° | 60.0° |
| C10 | C11 | C14 | H33 | 55.9° | 60.0° |
| C10 | C11 | C14 | H34 | 64.1° | 180.0° |
| C10 | C11 | C14 | H35 | 175.9° | 60.0° |
| C13 | C11 | C10 | C9 | 53.3° | 64.3° |
| C13 | C11 | C10 | H11 | 64.1° | 55.7° |
| C11 | C13 | H12 | H13 | 120.0° | 120.0° |
| C11 | C13 | H12 | H14 | 120.0° | 120.0° |
| C11 | C13 | H13 | H14 | 120.0° | 120.0° |
| C13 | C11 | C12 | H30 | 59.0° | 180.0° |
| C13 | C11 | C12 | H31 | 61.0° | 60.0° |
| C13 | C11 | C12 | H32 | 179.0° | 60.0° |
| C13 | C11 | C14 | H33 | 59.2° | 60.0° |
| C13 | C11 | C14 | H34 | 179.2° | 60.0° |
| C13 | C11 | C14 | H35 | 60.8° | 180.0° |
| C10 | C9 | O3 | N1 | 177.8° | 180.0° |
| C10 | C9 | N1 | C8 | 6.0° | 4.7° |
| C10 | C9 | N1 | C2 | 174.3° | 174.9° |
| C9 | C10 | N2 | H26 | 60.2° | 25.0° |
| C26 | C27 | N5 | H41 | 120.3° | 120.2° |
| C26 | C27 | N5 | H42 | 120.3° | 120.4° |
| C27 | C26 | C25 | H23 | 119.9° | 119.7° |
| C27 | C26 | C25 | H24 | 120.0° | 119.9° |
| C26 | C27 | N5 | C28 | 8.5° | 19.0° |
| C27 | C26 | C25 | C24 | 61.9° | 67.5° |
| C27 | C26 | H23 | H24 | 120.1° | 120.5° |
| C26 | C27 | N5 | H29 | 171.5° | 161.0° |
| C27 | C26 | C25 | H39 | 177.6° | 52.2° |
| C27 | C26 | C25 | H40 | 58.5° | 172.8° |
| C26 | C27 | H41 | H42 | 119.1° | 119.5° |
| N5 | C27 | C26 | C25 | 44.7° | 50.7° |
| C27 | N5 | C28 | H29 | 180.0° | 180.0° |
| C27 | N5 | C28 | O6 | 173.2° | 177.8° |
| C27 | N5 | C28 | C24 | 13.4° | 2.3° |
| N5 | C27 | C26 | H23 | 75.3° | 170.5° |
| N5 | C27 | C26 | H24 | 164.7° | 69.1° |
| N5 | C27 | H41 | H42 | 119.2° | 119.5° |
| O3 | C9 | N1 | C8 | 171.8° | 175.3° |
| O3 | C9 | N1 | C2 | 7.9° | 5.1° |
| O3 | C9 | C10 | H11 | 176.9° | 148.7° |
| C9 | N1 | C8 | C2 | 179.7° | 179.7° |
| C9 | N1 | C8 | C4 | 176.4° | 140.7° |
| C9 | N1 | C2 | C1 | 66.7° | 100.5° |
| C9 | N1 | C2 | C3 | 173.4° | 140.7° |
| C9 | N1 | C8 | H9 | 57.1° | 21.9° |
| C9 | N1 | C8 | H10 | 64.2° | 100.5° |
| N1 | C9 | C10 | H11 | 1.0° | 31.3° |
| C9 | N1 | C2 | H25 | 55.1° | 21.8° |
| C26 | C25 | C24 | C28 | 40.4° | 48.9° |
| C26 | C25 | C24 | H39 | 120.5° | 119.7° |
| C26 | C25 | C24 | H40 | 120.4° | 119.7° |
| C26 | C25 | C24 | C23 | 163.3° | 169.0° |
| C26 | C25 | C24 | H22 | 78.0° | 71.2° |
| C25 | C26 | H23 | H24 | 120.1° | 120.3° |
| C26 | C25 | H39 | H40 | 118.7° | 120.5° |
| C25 | C26 | C27 | H41 | 75.6° | 69.6° |
| C25 | C26 | C27 | H42 | 165.0° | 171.1° |
| N5 | C28 | O6 | C24 | 173.4° | 179.9° |
| N5 | C28 | C24 | C25 | 3.4° | 17.7° |
| N5 | C28 | C24 | C23 | 129.3° | 137.8° |
| N5 | C28 | C24 | H22 | 114.8° | 102.4° |
| C28 | N5 | C27 | H41 | 111.8° | 101.2° |
| C28 | N5 | C27 | H42 | 128.7° | 139.4° |
| O6 | C28 | C24 | C25 | 170.0° | 162.4° |
| O6 | C28 | C24 | C23 | 44.2° | 42.3° |
| O6 | C28 | C24 | H22 | 71.7° | 77.5° |
| O6 | C28 | N5 | H29 | 6.8° | 2.1° |
| C28 | C24 | C25 | C23 | 122.9° | 120.0° |
| C28 | C24 | C25 | H22 | 118.4° | 120.1° |
| C28 | C24 | C23 | H22 | 116.2° | 119.8° |
| C28 | C24 | C23 | C17 | 169.2° | 68.1° |
| C24 | C28 | N5 | H29 | 166.6° | 177.8° |
| C28 | C24 | C23 | H37 | 70.2° | 52.0° |
| C28 | C24 | C23 | H38 | 48.6° | 171.9° |
| C28 | C24 | C25 | H39 | 160.9° | 70.8° |
| C28 | C24 | C25 | H40 | 80.0° | 168.6° |
| N1 | C8 | C4 | H9 | 119.3° | 118.9° |
| N1 | C8 | C4 | H10 | 119.3° | 118.8° |
| C8 | N1 | C2 | C1 | 113.5° | 79.2° |
| C8 | N1 | C2 | C3 | 6.3° | 39.6° |
| N1 | C8 | C4 | C5 | 65.6° | 39.5° |
| N1 | C8 | C4 | C3 | 1.2° | 23.8° |
| N1 | C8 | C4 | H2 | 139.3° | 163.5° |
| N1 | C8 | H9 | H10 | 122.0° | 122.4° |
| C8 | N1 | C2 | H25 | 124.7° | 158.5° |
| C2 | N1 | C8 | C4 | 3.3° | 39.5° |
| N1 | C2 | C1 | C3 | 116.8° | 115.2° |
| N1 | C2 | C1 | H25 | 122.3° | 122.3° |
| N1 | C2 | C3 | H25 | 118.9° | 118.8° |
| N1 | C2 | C1 | O1 | 38.9° | 14.2° |
| N1 | C2 | C3 | C4 | 6.7° | 23.9° |
| N1 | C2 | C1 | N3 | 140.5° | 165.9° |
| N1 | C2 | C3 | C5 | 58.1° | 39.5° |
| C2 | N1 | C8 | H9 | 122.6° | 158.4° |
| C2 | N1 | C8 | H10 | 116.1° | 79.2° |
| N1 | C2 | C3 | H27 | 143.0° | 163.5° |
| C8 | C4 | C5 | C6 | 15.2° | 16.1° |
| C8 | C4 | C3 | C2 | 5.0° | 0.0° |
| C8 | C4 | C5 | C3 | 96.4° | 91.6° |
| C8 | C4 | C5 | H2 | 155.1° | 156.6° |
| C8 | C4 | C3 | H2 | 140.6° | 137.9° |
| C8 | C4 | C5 | C7 | 158.4° | 160.8° |
| C4 | C8 | H9 | H10 | 122.0° | 122.4° |
| C8 | C4 | C3 | H27 | 141.3° | 137.9° |
| C25 | C24 | C23 | H22 | 118.8° | 119.9° |
| C25 | C24 | C23 | C17 | 65.7° | 171.6° |
| C24 | C25 | C26 | H23 | 58.0° | 172.7° |
| C24 | C25 | C26 | H24 | 178.1° | 52.4° |
| C25 | C24 | C23 | H37 | 54.9° | 68.4° |
| C25 | C24 | C23 | H38 | 173.7° | 51.6° |
| C24 | C25 | H39 | H40 | 118.7° | 120.5° |
| C24 | C23 | C17 | H37 | 120.6° | 120.1° |
| C24 | C23 | C17 | H38 | 120.6° | 119.9° |
| C24 | C23 | C17 | N3 | 65.0° | 177.2° |
| C24 | C23 | C17 | C18 | 175.9° | 62.7° |
| C24 | C23 | C17 | H15 | 53.3° | 57.2° |
| C24 | C23 | H37 | H38 | 118.1° | 119.9° |
| C23 | C24 | C25 | H39 | 76.3° | 49.3° |
| C23 | C24 | C25 | H40 | 42.8° | 71.3° |
| C6 | C5 | C3 | C2 | 14.4° | 16.1° |
| C6 | C5 | C4 | C3 | 111.6° | 107.6° |
| C6 | C5 | C4 | C7 | 143.2° | 144.7° |
| C6 | C5 | C3 | C7 | 143.3° | 144.7° |
| C6 | C5 | C4 | H2 | 139.9° | 140.6° |
| C5 | C6 | H3 | H4 | 120.0° | 120.0° |
| C5 | C6 | H3 | H5 | 120.0° | 120.0° |
| C5 | C6 | H4 | H5 | 120.0° | 120.0° |
| C6 | C5 | C7 | H6 | 180.0° | 154.0° |
| C6 | C5 | C7 | H7 | 60.0° | 86.0° |
| C6 | C5 | C7 | H8 | 60.0° | 34.0° |
| C6 | C5 | C3 | H27 | 144.4° | 140.6° |
| C1 | C2 | C3 | H25 | 121.0° | 122.4° |
| C2 | C1 | O1 | N3 | 179.4° | 180.0° |
| C1 | C2 | C3 | C4 | 113.4° | 94.9° |
| C1 | C2 | C3 | C5 | 178.2° | 158.2° |
| C2 | C1 | N3 | C17 | 175.3° | 174.9° |
| C2 | C1 | N3 | H1 | 4.7° | 5.0° |
| C1 | C2 | C3 | H27 | 22.9° | 44.8° |
| C3 | C2 | C1 | O1 | 77.9° | 101.0° |
| C2 | C3 | C5 | C4 | 93.5° | 91.5° |
| C2 | C3 | C4 | H27 | 136.3° | 137.9° |
| C3 | C2 | C1 | N3 | 102.7° | 79.0° |
| C2 | C3 | C5 | H27 | 158.9° | 156.7° |
| C2 | C3 | C5 | C7 | 157.8° | 160.8° |
| C2 | C3 | C4 | H2 | 135.7° | 137.9° |
| O1 | C1 | N3 | C17 | 5.3° | 5.1° |
| O1 | C1 | N3 | H1 | 174.7° | 175.0° |
| O1 | C1 | C2 | H25 | 161.1° | 136.5° |
| C5 | C4 | C3 | H2 | 108.8° | 108.0° |
| C4 | C5 | C3 | C7 | 108.8° | 107.7° |
| C4 | C5 | C6 | H3 | 180.0° | 111.4° |
| C4 | C5 | C6 | H4 | 60.0° | 128.6° |
| C4 | C5 | C6 | H5 | 60.0° | 8.6° |
| C4 | C5 | C7 | H6 | 34.8° | 8.6° |
| C4 | C5 | C7 | H7 | 154.8° | 128.6° |
| C4 | C5 | C7 | H8 | 85.2° | 111.4° |
| C5 | C4 | C8 | H9 | 53.7° | 79.3° |
| C5 | C4 | C8 | H10 | 175.0° | 158.3° |
| C5 | C4 | C3 | H27 | 108.1° | 108.0° |
| C3 | C4 | C8 | H9 | 118.1° | 142.7° |
| C3 | C4 | C8 | H10 | 120.5° | 95.0° |
| C4 | C3 | C2 | H25 | 125.6° | 142.7° |
| C1 | N3 | C17 | C23 | 118.8° | 89.3° |
| C1 | N3 | C17 | H1 | 180.0° | 179.9° |
| C1 | N3 | C17 | C18 | 114.0° | 150.6° |
| C1 | N3 | C17 | H15 | 1.1° | 30.7° |
| N3 | C1 | C2 | H25 | 18.3° | 43.5° |
| C3 | C5 | C6 | H3 | 108.9° | 179.4° |
| C3 | C5 | C6 | H4 | 11.2° | 59.4° |
| C3 | C5 | C6 | H5 | 131.1° | 60.6° |
| C3 | C5 | C7 | H6 | 33.8° | 60.7° |
| C3 | C5 | C7 | H7 | 86.3° | 59.3° |
| C3 | C5 | C7 | H8 | 153.8° | 179.4° |
| C5 | C3 | C2 | H25 | 60.8° | 79.4° |
| C7 | C5 | C4 | H2 | 3.2° | 4.1° |
| C7 | C5 | C6 | H3 | 35.2° | 34.0° |
| C7 | C5 | C6 | H4 | 155.3° | 86.0° |
| C7 | C5 | C6 | H5 | 84.7° | 154.0° |
| C5 | C7 | H6 | H7 | 120.0° | 120.0° |
| C5 | C7 | H6 | H8 | 120.0° | 120.0° |
| C5 | C7 | H7 | H8 | 120.0° | 120.1° |
| C7 | C5 | C3 | H27 | 1.1° | 4.1° |
| C23 | C17 | N3 | C18 | 127.2° | 120.1° |
| C23 | C17 | N3 | H15 | 117.7° | 120.0° |
| C23 | C17 | C18 | H15 | 122.6° | 120.0° |
| C23 | C17 | C18 | O4 | 165.5° | 60.0° |
| C23 | C17 | C18 | C19 | 72.8° | 179.9° |
| C23 | C17 | N3 | H1 | 61.2° | 90.6° |
| C17 | C23 | C24 | H22 | 53.0° | 51.7° |
| C23 | C17 | C18 | H36 | 46.0° | 60.0° |
| C17 | C23 | H37 | H38 | 118.1° | 120.0° |
| N3 | C17 | C18 | H15 | 115.8° | 120.0° |
| N3 | C17 | C18 | O4 | 43.9° | 60.1° |
| N3 | C17 | C18 | C19 | 165.6° | 60.0° |
| N3 | C17 | C18 | H36 | 75.6° | 180.0° |
| N3 | C17 | C23 | H37 | 174.4° | 57.2° |
| N3 | C17 | C23 | H38 | 55.6° | 62.8° |
| C17 | C18 | O4 | C19 | 123.0° | 120.0° |
| C17 | C18 | O4 | H36 | 118.5° | 120.0° |
| C17 | C18 | C19 | H36 | 118.7° | 120.0° |
| C17 | C18 | C19 | O5 | 66.5° | 115.0° |
| C17 | C18 | C19 | N4 | 115.5° | 64.9° |
| C18 | C17 | N3 | H1 | 66.0° | 29.5° |
| C17 | C18 | O4 | H28 | 180.0° | 60.0° |
| C18 | C17 | C23 | H37 | 55.2° | 177.2° |
| C18 | C17 | C23 | H38 | 63.5° | 57.2° |
| O4 | C18 | C19 | H36 | 119.5° | 120.0° |
| O4 | C18 | C19 | O5 | 171.7° | 5.1° |
| O4 | C18 | C19 | N4 | 6.3° | 175.0° |
| O4 | C18 | C17 | H15 | 71.9° | 180.0° |
| C18 | C19 | O5 | N4 | 178.0° | 179.9° |
| C18 | C19 | N4 | C22 | 1.5° | 180.0° |
| C18 | C19 | N4 | C20 | 178.5° | 0.1° |
| C19 | C18 | C17 | H15 | 49.8° | 60.0° |
| C19 | C18 | O4 | H28 | 57.0° | 60.0° |
| O5 | C19 | N4 | C22 | 176.5° | 0.1° |
| O5 | C19 | N4 | C20 | 3.5° | 180.0° |
| O5 | C19 | C18 | H36 | 52.2° | 125.1° |
| C19 | N4 | C22 | C20 | 180.0° | 179.9° |
| C19 | N4 | C22 | C21 | 173.5° | 155.3° |
| C19 | N4 | C20 | C21 | 173.5° | 155.3° |
| C19 | N4 | C20 | H16 | 57.2° | 41.0° |
| C19 | N4 | C20 | H17 | 70.2° | 90.4° |
| C19 | N4 | C22 | H20 | 70.4° | 90.4° |
| C19 | N4 | C22 | H21 | 57.3° | 40.9° |
| N4 | C19 | C18 | H36 | 125.8° | 55.0° |
| N4 | C22 | C21 | H20 | 116.2° | 114.2° |
| N4 | C22 | C21 | H21 | 116.1° | 114.4° |
| C22 | N4 | C20 | C21 | 6.5° | 24.6° |
| C22 | N4 | C20 | H16 | 122.8° | 138.9° |
| C22 | N4 | C20 | H17 | 109.8° | 89.7° |
| N4 | C22 | C21 | H18 | 122.5° | 137.9° |
| N4 | C22 | C21 | H19 | 110.2° | 90.8° |
| N4 | C22 | H20 | H21 | 130.2° | 131.8° |
| N4 | C20 | C21 | H16 | 116.3° | 114.4° |
| N4 | C20 | C21 | H17 | 116.2° | 114.4° |
| N4 | C20 | H16 | H17 | 129.9° | 131.8° |
| N4 | C20 | C21 | H18 | 122.6° | 137.9° |
| N4 | C20 | C21 | H19 | 110.1° | 90.8° |
| C20 | N4 | C22 | H20 | 109.7° | 89.7° |
| C20 | N4 | C22 | H21 | 122.6° | 139.0° |
| C22 | C21 | C20 | H18 | 116.3° | 114.3° |
| C22 | C21 | C20 | H19 | 116.3° | 114.4° |
| C22 | C21 | C20 | H16 | 122.5° | 138.0° |
| C22 | C21 | C20 | H17 | 110.0° | 90.9° |
| C22 | C21 | H18 | H19 | 129.8° | 131.6° |
| C21 | C22 | H20 | H21 | 130.3° | 131.8° |
| C21 | C20 | H16 | H17 | 130.0° | 131.6° |
| C20 | C21 | H18 | H19 | 129.8° | 131.7° |
| C20 | C21 | C22 | H20 | 110.0° | 90.7° |
| C20 | C21 | C22 | H21 | 122.3° | 138.0° |
| H1 | N3 | C17 | H15 | 178.9° | 149.4° |
| H2 | C4 | C8 | H9 | 101.4° | 77.6° |
| H2 | C4 | C8 | H10 | 20.0° | 44.8° |
| H2 | C4 | C3 | H27 | 0.7° | 0.0° |
| H3 | C6 | H4 | H5 | 120.0° | 120.0° |
| H6 | C7 | H7 | H8 | 120.0° | 119.9° |
| H11 | C10 | N2 | H26 | 174.7° | 144.9° |
| H12 | C13 | H13 | H14 | 120.0° | 120.0° |
| H15 | C17 | C18 | H36 | 168.6° | 60.0° |
| H15 | C17 | C23 | H37 | 67.3° | 62.9° |
| H15 | C17 | C23 | H38 | 173.9° | 177.1° |
| H16 | C20 | C21 | H18 | 121.2° | 107.7° |
| H16 | C20 | C21 | H19 | 6.2° | 23.6° |
| H17 | C20 | C21 | H18 | 6.3° | 23.5° |
| H17 | C20 | C21 | H19 | 133.7° | 154.8° |
| H18 | C21 | C22 | H20 | 6.3° | 23.7° |
| H18 | C21 | C22 | H21 | 121.4° | 107.6° |
| H19 | C21 | C22 | H20 | 133.6° | 155.0° |
| H19 | C21 | C22 | H21 | 5.9° | 23.6° |
| H22 | C24 | C23 | H37 | 173.7° | 171.8° |
| H22 | C24 | C23 | H38 | 67.6° | 68.3° |
| H22 | C24 | C25 | H39 | 42.5° | 169.1° |
| H22 | C24 | C25 | H40 | 161.6° | 48.6° |
| H23 | C26 | C25 | H39 | 62.4° | 67.5° |
| H23 | C26 | C25 | H40 | 178.4° | 53.0° |
| H23 | C26 | C27 | H41 | 164.5° | 50.2° |
| H23 | C26 | C27 | H42 | 45.0° | 69.1° |
| H24 | C26 | C25 | H39 | 57.7° | 172.2° |
| H24 | C26 | C25 | H40 | 61.5° | 67.3° |
| H24 | C26 | C27 | H41 | 44.4° | 170.6° |
| H24 | C26 | C27 | H42 | 75.0° | 51.2° |
| H25 | C2 | C3 | H27 | 98.1° | 77.7° |
| H28 | O4 | C18 | H36 | 61.5° | 180.0° |
| H29 | N5 | C27 | H41 | 68.2° | 78.7° |
| H29 | N5 | C27 | H42 | 51.3° | 40.7° |
| H30 | C12 | H31 | H32 | 120.0° | 119.9° |
| H33 | C14 | H34 | H35 | 119.9° | 120.0° |
