84C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C18 | sing | 1.53Å | 1.51Å | |
| C21 | C18 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | O5 | sing | 1.45Å | 1.49Å | |
| O5 | C17 | sing | 1.35Å | 1.35Å | |
| O4 | C17 | doub | 1.21Å | 1.21Å | |
| C17 | N4 | sing | 1.35Å | 1.35Å | |
| C11 | C12 | sing | 1.54Å | 1.51Å | |
| C11 | C10 | sing | 1.54Å | 1.54Å | |
| N4 | C16 | sing | 1.47Å | 1.46Å | |
| C12 | C13 | sing | 1.54Å | 1.51Å | |
| C10 | C9 | sing | 1.54Å | 1.52Å | |
| C10 | C14 | sing | 1.56Å | 1.54Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C16 | C22 | sing | 1.53Å | 1.54Å | |
| C9 | N3 | sing | 1.47Å | 1.47Å | |
| C24 | C22 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.55Å | 1.54Å | |
| N3 | C15 | sing | 1.35Å | 1.34Å | |
| N3 | C8 | sing | 1.47Å | 1.46Å | |
| C15 | O3 | doub | 1.21Å | 1.24Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C14 | C8 | sing | 1.54Å | 1.52Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | O2 | doub | 1.21Å | 1.23Å | |
| C7 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | C6 | sing | 1.46Å | 1.46Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C4 | C1 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.54Å | 1.52Å | |
| C1 | N1 | sing | 1.34Å | 1.33Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C6 | C25 | sing | 1.53Å | 1.52Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.54Å | 1.51Å | |
| C25 | O6 | sing | 1.43Å | 1.42Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| O6 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C18 | C21 | 111.1° | 109.5° |
| C20 | C18 | C19 | 111.2° | 109.5° |
| C20 | C18 | O5 | 105.6° | 109.4° |
| C18 | C20 | H29 | 109.5° | 109.5° |
| C18 | C20 | H27 | 109.4° | 109.5° |
| C18 | C20 | H28 | 109.5° | 109.5° |
| C21 | C18 | C19 | 110.9° | 109.5° |
| C21 | C18 | O5 | 108.8° | 109.5° |
| C18 | C21 | H31 | 109.5° | 109.5° |
| C18 | C21 | H32 | 109.5° | 109.5° |
| C18 | C21 | H30 | 109.5° | 109.4° |
| C19 | C18 | O5 | 109.0° | 109.4° |
| C18 | C19 | H24 | 109.5° | 109.5° |
| C18 | C19 | H25 | 109.5° | 109.5° |
| C18 | C19 | H26 | 109.5° | 109.5° |
| C18 | O5 | C17 | 123.0° | 117.0° |
| O5 | C17 | O4 | 126.2° | 120.0° |
| O5 | C17 | N4 | 109.4° | 120.0° |
| O4 | C17 | N4 | 124.4° | 120.0° |
| C17 | N4 | C16 | 120.8° | 120.0° |
| C17 | N4 | H23 | 119.6° | 120.0° |
| C12 | C11 | C10 | 105.7° | 106.9° |
| C11 | C12 | C13 | 104.5° | 106.7° |
| C12 | C11 | H15 | 110.4° | 109.9° |
| C12 | C11 | H16 | 110.4° | 109.9° |
| C11 | C12 | H17 | 110.7° | 110.0° |
| C11 | C12 | H18 | 110.7° | 110.0° |
| C11 | C10 | C9 | 114.3° | 109.4° |
| C11 | C10 | C14 | 106.3° | 105.0° |
| C11 | C10 | H14 | 110.3° | 113.5° |
| C10 | C11 | H15 | 110.4° | 110.1° |
| C10 | C11 | H16 | 110.4° | 110.1° |
| N4 | C16 | C15 | 108.2° | 109.5° |
| N4 | C16 | C22 | 112.8° | 109.5° |
| N4 | C16 | H22 | 109.2° | 109.4° |
| C16 | N4 | H23 | 119.6° | 120.0° |
| C12 | C13 | C14 | 102.4° | 105.0° |
| C12 | C13 | H19 | 111.2° | 110.3° |
| C12 | C13 | H20 | 111.2° | 110.4° |
| C13 | C12 | H17 | 110.7° | 109.9° |
| C13 | C12 | H18 | 110.7° | 110.0° |
| C9 | C10 | C14 | 105.0° | 102.1° |
| C10 | C9 | N3 | 103.4° | 105.5° |
| C9 | C10 | H14 | 110.5° | 113.0° |
| C10 | C9 | H13 | 111.0° | 110.3° |
| C10 | C9 | H12 | 111.0° | 110.3° |
| C10 | C14 | C13 | 103.1° | 103.2° |
| C10 | C14 | C8 | 105.4° | 103.1° |
| C14 | C10 | H14 | 110.3° | 112.9° |
| C10 | C14 | H21 | 111.5° | 113.6° |
| C15 | C16 | C22 | 110.3° | 109.5° |
| C16 | C15 | N3 | 118.0° | 120.0° |
| C16 | C15 | O3 | 121.6° | 120.0° |
| C15 | C16 | H22 | 108.2° | 109.5° |
| C16 | C22 | C24 | 110.8° | 109.5° |
| C16 | C22 | C23 | 111.8° | 109.5° |
| C22 | C16 | H22 | 108.0° | 109.5° |
| C16 | C22 | H33 | 107.4° | 109.5° |
| C9 | N3 | C15 | 126.7° | 125.6° |
| C9 | N3 | C8 | 111.7° | 108.8° |
| N3 | C9 | H13 | 111.0° | 110.0° |
| N3 | C9 | H12 | 110.9° | 110.5° |
| C24 | C22 | C23 | 111.4° | 109.5° |
| C24 | C22 | H33 | 107.6° | 109.5° |
| C22 | C24 | H38 | 109.5° | 109.5° |
| C22 | C24 | H39 | 109.5° | 109.5° |
| C22 | C24 | H37 | 109.5° | 109.4° |
| C13 | C14 | C8 | 113.2° | 108.3° |
| C14 | C13 | H19 | 111.2° | 110.4° |
| C14 | C13 | H20 | 111.2° | 110.4° |
| C13 | C14 | H21 | 111.5° | 113.4° |
| C15 | N3 | C8 | 121.3° | 125.6° |
| N3 | C15 | O3 | 120.4° | 120.0° |
| N3 | C8 | C14 | 106.0° | 107.7° |
| N3 | C8 | C7 | 107.1° | 109.8° |
| N3 | C8 | H11 | 111.3° | 109.8° |
| C23 | C22 | H33 | 107.6° | 109.5° |
| C22 | C23 | H34 | 109.5° | 109.4° |
| C22 | C23 | H35 | 109.5° | 109.4° |
| C22 | C23 | H36 | 109.5° | 109.5° |
| C14 | C8 | C7 | 111.8° | 109.8° |
| C14 | C8 | H11 | 110.3° | 109.9° |
| C8 | C14 | H21 | 111.7° | 114.2° |
| C8 | C7 | O2 | 120.4° | 120.1° |
| C8 | C7 | N2 | 117.0° | 120.0° |
| C7 | C8 | H11 | 110.2° | 109.8° |
| O2 | C7 | N2 | 122.5° | 119.9° |
| C7 | N2 | C6 | 123.6° | 120.0° |
| C7 | N2 | H10 | 118.2° | 120.0° |
| N2 | C6 | C5 | 109.8° | 109.5° |
| N2 | C6 | C25 | 109.9° | 109.5° |
| N2 | C6 | H9 | 109.2° | 109.5° |
| C6 | N2 | H10 | 118.2° | 120.0° |
| O1 | C1 | C4 | 125.2° | 124.9° |
| O1 | C1 | N1 | 126.2° | 125.0° |
| C1 | C4 | C5 | 113.0° | 110.5° |
| C1 | C4 | C3 | 103.6° | 104.3° |
| C4 | C1 | N1 | 108.4° | 110.1° |
| C1 | C4 | H6 | 108.6° | 110.5° |
| C5 | C4 | C3 | 114.6° | 110.2° |
| C4 | C5 | C6 | 114.2° | 109.4° |
| C5 | C4 | H6 | 108.3° | 110.4° |
| C4 | C5 | H7 | 108.3° | 109.5° |
| C4 | C5 | H8 | 108.3° | 109.5° |
| C4 | C3 | C2 | 104.0° | 101.9° |
| C3 | C4 | H6 | 108.5° | 110.7° |
| C4 | C3 | H4 | 110.8° | 111.0° |
| C4 | C3 | H5 | 110.8° | 110.9° |
| C1 | N1 | C2 | 113.4° | 111.3° |
| C1 | N1 | H1 | 123.3° | 124.3° |
| C5 | C6 | C25 | 111.3° | 109.5° |
| C6 | C5 | H7 | 108.3° | 109.5° |
| C6 | C5 | H8 | 108.3° | 109.4° |
| C5 | C6 | H9 | 108.2° | 109.4° |
| C6 | C25 | O6 | 111.4° | 109.5° |
| C25 | C6 | H9 | 108.4° | 109.5° |
| C6 | C25 | H40 | 109.0° | 109.5° |
| C6 | C25 | H41 | 109.0° | 109.5° |
| N1 | C2 | C3 | 102.7° | 105.5° |
| C2 | N1 | H1 | 123.3° | 124.4° |
| N1 | C2 | H2 | 111.1° | 110.2° |
| N1 | C2 | H3 | 111.1° | 110.2° |
| C3 | C2 | H2 | 111.1° | 110.2° |
| C3 | C2 | H3 | 111.1° | 110.3° |
| C2 | C3 | H4 | 110.8° | 111.2° |
| C2 | C3 | H5 | 110.8° | 110.6° |
| O6 | C25 | H40 | 109.0° | 109.5° |
| O6 | C25 | H41 | 109.0° | 109.4° |
| C25 | O6 | H42 | 109.5° | 114.1° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 110.3° |
| H15 | C11 | H16 | 109.5° | 110.0° |
| H17 | C12 | H18 | 109.5° | 110.1° |
| H2 | C2 | H3 | 109.5° | 110.3° |
| H4 | C3 | H5 | 109.5° | 110.9° |
| H13 | C9 | H12 | 109.5° | 110.3° |
| H24 | C19 | H25 | 109.5° | 109.4° |
| H24 | C19 | H26 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.4° |
| H29 | C20 | H27 | 109.5° | 109.4° |
| H29 | C20 | H28 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H31 | C21 | H32 | 109.5° | 109.5° |
| H31 | C21 | H30 | 109.5° | 109.5° |
| H32 | C21 | H30 | 109.5° | 109.5° |
| H34 | C23 | H35 | 109.5° | 109.5° |
| H34 | C23 | H36 | 109.5° | 109.5° |
| H35 | C23 | H36 | 109.5° | 109.5° |
| H38 | C24 | H39 | 109.5° | 109.5° |
| H38 | C24 | H37 | 109.5° | 109.4° |
| H39 | C24 | H37 | 109.4° | 109.5° |
| H40 | C25 | H41 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C18 | C21 | C19 | 124.2° | 120.0° |
| C20 | C18 | C21 | O5 | 115.9° | 120.0° |
| C20 | C18 | C19 | O5 | 116.0° | 120.0° |
| C20 | C18 | O5 | C17 | 177.9° | 60.0° |
| C20 | C18 | C19 | H24 | 180.0° | 180.0° |
| C20 | C18 | C19 | H25 | 60.0° | 60.0° |
| C20 | C18 | C19 | H26 | 60.0° | 59.9° |
| C18 | C20 | H29 | H27 | 120.0° | 120.0° |
| C18 | C20 | H29 | H28 | 120.0° | 120.0° |
| C18 | C20 | H27 | H28 | 120.0° | 120.0° |
| C20 | C18 | C21 | H31 | 180.0° | 60.0° |
| C20 | C18 | C21 | H32 | 60.0° | 60.0° |
| C20 | C18 | C21 | H30 | 60.0° | 180.0° |
| C21 | C18 | C19 | O5 | 119.8° | 120.0° |
| C21 | C18 | O5 | C17 | 62.8° | 180.0° |
| C21 | C18 | C19 | H24 | 55.8° | 60.0° |
| C21 | C18 | C19 | H25 | 175.9° | 60.0° |
| C21 | C18 | C19 | H26 | 64.2° | 180.0° |
| C21 | C18 | C20 | H29 | 180.0° | 180.0° |
| C21 | C18 | C20 | H27 | 60.0° | 60.0° |
| C21 | C18 | C20 | H28 | 60.0° | 60.0° |
| C18 | C21 | H31 | H32 | 120.0° | 120.0° |
| C18 | C21 | H31 | H30 | 120.0° | 120.0° |
| C18 | C21 | H32 | H30 | 120.0° | 120.0° |
| C19 | C18 | O5 | C17 | 58.4° | 60.0° |
| C18 | C19 | H24 | H25 | 120.0° | 120.0° |
| C18 | C19 | H24 | H26 | 120.0° | 120.1° |
| C18 | C19 | H25 | H26 | 120.0° | 120.0° |
| C19 | C18 | C20 | H29 | 55.9° | 59.9° |
| C19 | C18 | C20 | H27 | 175.9° | 60.0° |
| C19 | C18 | C20 | H28 | 64.1° | 180.0° |
| C19 | C18 | C21 | H31 | 55.8° | 180.0° |
| C19 | C18 | C21 | H32 | 64.2° | 60.0° |
| C19 | C18 | C21 | H30 | 175.8° | 60.0° |
| C18 | O5 | C17 | O4 | 10.6° | 0.1° |
| C18 | O5 | C17 | N4 | 169.1° | 180.0° |
| O5 | C18 | C19 | H24 | 64.0° | 60.0° |
| O5 | C18 | C19 | H25 | 56.1° | 180.0° |
| O5 | C18 | C19 | H26 | 176.0° | 60.0° |
| O5 | C18 | C20 | H29 | 62.2° | 60.0° |
| O5 | C18 | C20 | H27 | 57.8° | 180.0° |
| O5 | C18 | C20 | H28 | 177.8° | 60.0° |
| O5 | C18 | C21 | H31 | 64.2° | 60.0° |
| O5 | C18 | C21 | H32 | 175.9° | 180.0° |
| O5 | C18 | C21 | H30 | 55.9° | 60.0° |
| O5 | C17 | O4 | N4 | 179.7° | 179.9° |
| O5 | C17 | N4 | C16 | 178.5° | 180.0° |
| O5 | C17 | N4 | H23 | 1.5° | 0.1° |
| O4 | C17 | N4 | C16 | 1.2° | 0.1° |
| O4 | C17 | N4 | H23 | 178.8° | 180.0° |
| C17 | N4 | C16 | H23 | 180.0° | 180.0° |
| C17 | N4 | C16 | C15 | 108.5° | 155.0° |
| C17 | N4 | C16 | C22 | 129.2° | 85.0° |
| C17 | N4 | C16 | H22 | 9.0° | 35.1° |
| C12 | C11 | C10 | H15 | 119.4° | 119.3° |
| C12 | C11 | C10 | H16 | 119.4° | 119.3° |
| C11 | C12 | C13 | H17 | 119.2° | 119.3° |
| C11 | C12 | C13 | H18 | 119.2° | 119.3° |
| C12 | C11 | C10 | C9 | 112.4° | 88.5° |
| C12 | C11 | C10 | C14 | 3.0° | 20.4° |
| C11 | C12 | C13 | C14 | 41.9° | 23.2° |
| C12 | C11 | C10 | H14 | 122.5° | 144.2° |
| C11 | C12 | C13 | H19 | 160.8° | 95.7° |
| C11 | C12 | C13 | H20 | 76.9° | 142.1° |
| C12 | C11 | H15 | H16 | 121.7° | 121.1° |
| C11 | C12 | H17 | H18 | 122.3° | 121.4° |
| C10 | C11 | C12 | C13 | 27.8° | 1.6° |
| C11 | C10 | C9 | C14 | 116.1° | 110.9° |
| C11 | C10 | C9 | H14 | 125.0° | 127.5° |
| C11 | C10 | C14 | H14 | 119.5° | 124.2° |
| C11 | C10 | C9 | N3 | 87.1° | 145.9° |
| C11 | C10 | C14 | C13 | 22.4° | 34.4° |
| C11 | C10 | C14 | C8 | 96.6° | 147.1° |
| C10 | C11 | H15 | H16 | 121.7° | 121.4° |
| C10 | C11 | C12 | H17 | 91.4° | 117.6° |
| C10 | C11 | C12 | H18 | 147.0° | 120.9° |
| C11 | C10 | C14 | H21 | 142.1° | 88.8° |
| C11 | C10 | C9 | H13 | 153.9° | 27.2° |
| C11 | C10 | C9 | H12 | 31.9° | 94.8° |
| N4 | C16 | C15 | C22 | 123.8° | 120.0° |
| N4 | C16 | C15 | H22 | 118.2° | 119.9° |
| N4 | C16 | C22 | H22 | 120.8° | 120.0° |
| N4 | C16 | C22 | C24 | 53.2° | 55.2° |
| N4 | C16 | C15 | N3 | 104.2° | 143.9° |
| N4 | C16 | C15 | O3 | 77.6° | 36.1° |
| N4 | C16 | C22 | C23 | 178.1° | 175.2° |
| N4 | C16 | C22 | H33 | 64.1° | 64.8° |
| C12 | C13 | C14 | C10 | 39.3° | 35.3° |
| C12 | C13 | C14 | H19 | 118.8° | 118.9° |
| C12 | C13 | C14 | H20 | 118.9° | 119.0° |
| C12 | C13 | C14 | C8 | 74.1° | 144.2° |
| C12 | C13 | H19 | H20 | 123.3° | 122.3° |
| C13 | C12 | C11 | H15 | 91.6° | 117.8° |
| C13 | C12 | C11 | H16 | 147.2° | 121.0° |
| C13 | C12 | H17 | H18 | 122.3° | 121.3° |
| C12 | C13 | C14 | H21 | 159.0° | 88.0° |
| C9 | C10 | C14 | H14 | 119.0° | 121.7° |
| C10 | C9 | N3 | H13 | 119.0° | 118.9° |
| C10 | C9 | N3 | H12 | 119.0° | 119.1° |
| C9 | C10 | C14 | C13 | 143.8° | 79.7° |
| C10 | C9 | N3 | C15 | 161.9° | 156.3° |
| C10 | C9 | N3 | C8 | 23.4° | 23.4° |
| C9 | C10 | C14 | C8 | 24.9° | 33.0° |
| C9 | C10 | C11 | H15 | 128.2° | 30.8° |
| C9 | C10 | C11 | H16 | 7.0° | 152.2° |
| C9 | C10 | C14 | H21 | 96.4° | 157.1° |
| C10 | C9 | H13 | H12 | 122.8° | 122.0° |
| C14 | C10 | C9 | N3 | 29.1° | 35.0° |
| C10 | C14 | C13 | C8 | 113.4° | 108.8° |
| C10 | C14 | C13 | H21 | 119.7° | 123.3° |
| C10 | C14 | C8 | N3 | 10.9° | 20.1° |
| C10 | C14 | C8 | H21 | 121.2° | 123.7° |
| C10 | C14 | C8 | C7 | 127.3° | 99.5° |
| C10 | C14 | C8 | H11 | 109.7° | 139.6° |
| C10 | C14 | C13 | H19 | 158.1° | 83.5° |
| C10 | C14 | C13 | H20 | 79.6° | 154.3° |
| C14 | C10 | C11 | H15 | 116.4° | 139.7° |
| C14 | C10 | C11 | H16 | 122.4° | 98.9° |
| C14 | C10 | C9 | H13 | 90.0° | 83.7° |
| C14 | C10 | C9 | H12 | 148.1° | 154.3° |
| C15 | C16 | C22 | H22 | 118.2° | 120.0° |
| C16 | C15 | N3 | C9 | 0.5° | 5.0° |
| C15 | C16 | C22 | C24 | 174.2° | 175.2° |
| C16 | C15 | N3 | O3 | 178.2° | 180.0° |
| C16 | C15 | N3 | C8 | 173.7° | 174.7° |
| C15 | C16 | C22 | C23 | 60.8° | 64.8° |
| C15 | C16 | N4 | H23 | 71.5° | 25.0° |
| C15 | C16 | C22 | H33 | 57.0° | 55.2° |
| C16 | C22 | C24 | C23 | 125.1° | 120.0° |
| C16 | C22 | C24 | H33 | 117.1° | 120.0° |
| C22 | C16 | C15 | N3 | 132.0° | 96.0° |
| C22 | C16 | C15 | O3 | 46.2° | 84.0° |
| C16 | C22 | C23 | H33 | 117.7° | 120.0° |
| C22 | C16 | N4 | H23 | 50.8° | 95.0° |
| C16 | C22 | C23 | H34 | 180.0° | 57.8° |
| C16 | C22 | C23 | H35 | 60.0° | 177.8° |
| C16 | C22 | C23 | H36 | 60.0° | 62.2° |
| C16 | C22 | C24 | H38 | 180.0° | 59.9° |
| C16 | C22 | C24 | H39 | 60.0° | 180.0° |
| C16 | C22 | C24 | H37 | 60.0° | 60.0° |
| C9 | N3 | C15 | C8 | 174.2° | 179.7° |
| C9 | N3 | C15 | O3 | 178.7° | 175.0° |
| C9 | N3 | C8 | C14 | 7.9° | 1.8° |
| C9 | N3 | C8 | C7 | 111.6° | 121.3° |
| C9 | N3 | C8 | H11 | 127.9° | 117.8° |
| N3 | C9 | C10 | H14 | 147.9° | 86.6° |
| N3 | C9 | H13 | H12 | 122.8° | 122.1° |
| C24 | C22 | C23 | H33 | 117.8° | 120.0° |
| C24 | C22 | C16 | H22 | 67.6° | 64.8° |
| C24 | C22 | C23 | H34 | 55.4° | 62.2° |
| C24 | C22 | C23 | H35 | 175.4° | 57.8° |
| C24 | C22 | C23 | H36 | 64.6° | 177.8° |
| C22 | C24 | H38 | H39 | 120.0° | 120.0° |
| C22 | C24 | H38 | H37 | 120.0° | 119.9° |
| C22 | C24 | H39 | H37 | 120.0° | 120.0° |
| C13 | C14 | C8 | N3 | 122.8° | 88.8° |
| C13 | C14 | C8 | H21 | 126.8° | 127.4° |
| C13 | C14 | C8 | C7 | 120.8° | 151.6° |
| C13 | C14 | C8 | H11 | 2.2° | 30.8° |
| C13 | C14 | C10 | H14 | 97.1° | 158.6° |
| C14 | C13 | H19 | H20 | 123.3° | 122.2° |
| C14 | C13 | C12 | H17 | 77.3° | 96.1° |
| C14 | C13 | C12 | H18 | 161.1° | 142.5° |
| C15 | N3 | C8 | C14 | 177.1° | 177.9° |
| C15 | N3 | C8 | C7 | 63.4° | 58.4° |
| C15 | N3 | C8 | H11 | 57.1° | 62.5° |
| N3 | C15 | C16 | H22 | 14.0° | 24.0° |
| C15 | N3 | C9 | H13 | 79.1° | 84.9° |
| C15 | N3 | C9 | H12 | 42.9° | 37.1° |
| C8 | N3 | C15 | O3 | 4.5° | 5.3° |
| N3 | C8 | C14 | C7 | 116.4° | 119.5° |
| N3 | C8 | C14 | H11 | 120.6° | 119.6° |
| N3 | C8 | C7 | H11 | 121.3° | 120.9° |
| N3 | C8 | C7 | O2 | 44.4° | 18.5° |
| N3 | C8 | C7 | N2 | 133.3° | 161.4° |
| N3 | C8 | C14 | H21 | 110.3° | 143.8° |
| C8 | N3 | C9 | H13 | 95.6° | 95.4° |
| C8 | N3 | C9 | H12 | 142.5° | 142.6° |
| O3 | C15 | C16 | H22 | 164.2° | 156.0° |
| C23 | C22 | C16 | H22 | 57.3° | 55.2° |
| C22 | C23 | H34 | H35 | 120.0° | 119.9° |
| C22 | C23 | H34 | H36 | 120.0° | 120.0° |
| C22 | C23 | H35 | H36 | 120.0° | 120.0° |
| C23 | C22 | C24 | H38 | 54.9° | 179.9° |
| C23 | C22 | C24 | H39 | 65.2° | 60.0° |
| C23 | C22 | C24 | H37 | 174.9° | 60.1° |
| C14 | C8 | C7 | H11 | 123.1° | 120.9° |
| C14 | C8 | C7 | O2 | 71.3° | 99.8° |
| C14 | C8 | C7 | N2 | 111.0° | 80.3° |
| C8 | C14 | C10 | H14 | 143.9° | 88.7° |
| C8 | C14 | C13 | H19 | 44.7° | 25.3° |
| C8 | C14 | C13 | H20 | 167.0° | 96.8° |
| C8 | C7 | O2 | N2 | 177.6° | 179.9° |
| C8 | C7 | N2 | C6 | 178.2° | 180.0° |
| C7 | C8 | C14 | H21 | 6.1° | 24.3° |
| C8 | C7 | N2 | H10 | 1.8° | 0.0° |
| O2 | C7 | N2 | C6 | 0.5° | 0.0° |
| O2 | C7 | C8 | H11 | 165.7° | 139.4° |
| O2 | C7 | N2 | H10 | 179.5° | 179.9° |
| C7 | N2 | C6 | H10 | 180.0° | 180.0° |
| C7 | N2 | C6 | C5 | 117.7° | 155.0° |
| C7 | N2 | C6 | C25 | 119.6° | 85.0° |
| C7 | N2 | C6 | H9 | 0.8° | 35.0° |
| N2 | C7 | C8 | H11 | 12.1° | 40.6° |
| N2 | C6 | C5 | C4 | 68.2° | 65.0° |
| N2 | C6 | C5 | C25 | 121.9° | 120.0° |
| N2 | C6 | C5 | H9 | 119.1° | 120.0° |
| N2 | C6 | C25 | H9 | 119.3° | 120.0° |
| N2 | C6 | C25 | O6 | 170.9° | 65.0° |
| N2 | C6 | C5 | H7 | 171.1° | 175.0° |
| N2 | C6 | C5 | H8 | 52.5° | 55.0° |
| N2 | C6 | C25 | H40 | 68.7° | 55.0° |
| N2 | C6 | C25 | H41 | 50.7° | 175.0° |
| O1 | C1 | C4 | N1 | 176.0° | 180.0° |
| O1 | C1 | C4 | C5 | 45.5° | 77.6° |
| O1 | C1 | C4 | C3 | 170.1° | 164.0° |
| O1 | C1 | N1 | C2 | 171.8° | 179.6° |
| O1 | C1 | N1 | H1 | 8.2° | 0.6° |
| O1 | C1 | C4 | H6 | 74.7° | 44.9° |
| C1 | C4 | C5 | C3 | 118.3° | 114.7° |
| C1 | C4 | C5 | H6 | 120.3° | 122.6° |
| C1 | C4 | C3 | H6 | 115.2° | 118.9° |
| C1 | C4 | C5 | C6 | 174.5° | 66.4° |
| C4 | C1 | N1 | C2 | 4.1° | 0.4° |
| C1 | C4 | C3 | C2 | 25.4° | 24.4° |
| C4 | C1 | N1 | H1 | 175.9° | 179.3° |
| C1 | C4 | C5 | H7 | 64.8° | 173.5° |
| C1 | C4 | C5 | H8 | 53.8° | 53.5° |
| C1 | C4 | C3 | H4 | 93.7° | 142.9° |
| C1 | C4 | C3 | H5 | 144.6° | 93.3° |
| C5 | C4 | C3 | H6 | 121.2° | 122.5° |
| C5 | C4 | C1 | N1 | 138.5° | 102.4° |
| C4 | C5 | C6 | H7 | 120.7° | 120.0° |
| C4 | C5 | C6 | H8 | 120.7° | 119.9° |
| C4 | C5 | C6 | C25 | 169.9° | 175.0° |
| C5 | C4 | C3 | C2 | 149.0° | 94.2° |
| C4 | C5 | H7 | H8 | 117.8° | 120.0° |
| C4 | C5 | C6 | H9 | 50.9° | 55.1° |
| C5 | C4 | C3 | H4 | 29.8° | 24.3° |
| C5 | C4 | C3 | H5 | 91.9° | 148.0° |
| C3 | C4 | C1 | N1 | 14.0° | 16.0° |
| C3 | C4 | C5 | C6 | 67.2° | 178.8° |
| C4 | C3 | C2 | N1 | 27.4° | 25.0° |
| C4 | C3 | C2 | H4 | 119.1° | 118.3° |
| C4 | C3 | C2 | H5 | 119.1° | 118.0° |
| C3 | C4 | C5 | H7 | 53.5° | 58.8° |
| C3 | C4 | C5 | H8 | 172.1° | 61.2° |
| C4 | C3 | C2 | H2 | 91.5° | 144.0° |
| C4 | C3 | C2 | H3 | 146.3° | 94.0° |
| C4 | C3 | H4 | H5 | 122.5° | 123.8° |
| C1 | N1 | C2 | H1 | 180.0° | 179.8° |
| C1 | N1 | C2 | C3 | 20.4° | 16.8° |
| N1 | C1 | C4 | H6 | 101.3° | 135.0° |
| C1 | N1 | C2 | H2 | 98.5° | 135.8° |
| C1 | N1 | C2 | H3 | 139.3° | 102.3° |
| C5 | C6 | C25 | H9 | 118.9° | 119.9° |
| C5 | C6 | C25 | O6 | 67.2° | 55.0° |
| C6 | C5 | C4 | H6 | 54.2° | 56.2° |
| C6 | C5 | H7 | H8 | 117.8° | 120.0° |
| C5 | C6 | N2 | H10 | 62.3° | 25.0° |
| C5 | C6 | C25 | H40 | 53.1° | 175.1° |
| C5 | C6 | C25 | H41 | 172.5° | 64.9° |
| C6 | C25 | O6 | H40 | 120.3° | 120.1° |
| C6 | C25 | O6 | H41 | 120.3° | 120.0° |
| C25 | C6 | C5 | H7 | 49.2° | 55.0° |
| C25 | C6 | C5 | H8 | 69.4° | 65.0° |
| C25 | C6 | N2 | H10 | 60.4° | 95.0° |
| C6 | C25 | H40 | H41 | 119.1° | 120.0° |
| C6 | C25 | O6 | H42 | 180.0° | 180.0° |
| N1 | C2 | C3 | H2 | 118.9° | 119.0° |
| N1 | C2 | C3 | H3 | 118.9° | 119.0° |
| N1 | C2 | H2 | H3 | 123.1° | 122.0° |
| N1 | C2 | C3 | H4 | 91.7° | 143.4° |
| N1 | C2 | C3 | H5 | 146.5° | 93.0° |
| C3 | C2 | N1 | H1 | 159.6° | 163.0° |
| C2 | C3 | C4 | H6 | 89.8° | 143.3° |
| C3 | C2 | H2 | H3 | 123.2° | 122.0° |
| C2 | C3 | H4 | H5 | 122.5° | 123.5° |
| O6 | C25 | C6 | H9 | 51.7° | 174.9° |
| O6 | C25 | H40 | H41 | 119.1° | 119.9° |
| H1 | N1 | C2 | H2 | 81.5° | 44.0° |
| H1 | N1 | C2 | H3 | 40.7° | 78.0° |
| H6 | C4 | C5 | H7 | 174.9° | 63.9° |
| H6 | C4 | C5 | H8 | 66.5° | 176.1° |
| H6 | C4 | C3 | H4 | 151.1° | 98.2° |
| H6 | C4 | C3 | H5 | 29.3° | 25.5° |
| H7 | C5 | C6 | H9 | 69.8° | 65.0° |
| H8 | C5 | C6 | H9 | 171.6° | 175.0° |
| H9 | C6 | N2 | H10 | 179.2° | 144.9° |
| H9 | C6 | C25 | H40 | 172.0° | 65.0° |
| H9 | C6 | C25 | H41 | 68.6° | 55.0° |
| H11 | C8 | C14 | H21 | 129.1° | 96.6° |
| H14 | C10 | C11 | H15 | 3.1° | 96.4° |
| H14 | C10 | C11 | H16 | 118.1° | 24.9° |
| H14 | C10 | C14 | H21 | 22.6° | 35.5° |
| H14 | C10 | C9 | H13 | 28.9° | 154.7° |
| H14 | C10 | C9 | H12 | 93.1° | 32.7° |
| H19 | C13 | C12 | H17 | 41.6° | 145.0° |
| H19 | C13 | C12 | H18 | 80.1° | 23.6° |
| H19 | C13 | C14 | H21 | 82.2° | 153.2° |
| H20 | C13 | C12 | H17 | 163.9° | 22.8° |
| H20 | C13 | C12 | H18 | 42.2° | 98.5° |
| H20 | C13 | C14 | H21 | 40.1° | 31.0° |
| H15 | C11 | C12 | H17 | 149.2° | 122.9° |
| H15 | C11 | C12 | H18 | 27.6° | 1.5° |
| H16 | C11 | C12 | H17 | 28.0° | 1.8° |
| H16 | C11 | C12 | H18 | 93.6° | 119.7° |
| H22 | C16 | N4 | H23 | 171.0° | 145.0° |
| H22 | C16 | C22 | H33 | 175.1° | 175.2° |
| H2 | C2 | C3 | H4 | 149.4° | 97.7° |
| H2 | C2 | C3 | H5 | 27.6° | 26.0° |
| H3 | C2 | C3 | H4 | 27.2° | 24.4° |
| H3 | C2 | C3 | H5 | 94.6° | 148.0° |
| H24 | C19 | H25 | H26 | 120.0° | 120.0° |
| H29 | C20 | H27 | H28 | 120.0° | 120.0° |
| H31 | C21 | H32 | H30 | 120.0° | 120.0° |
| H33 | C22 | C23 | H34 | 62.3° | 177.8° |
| H33 | C22 | C23 | H35 | 57.7° | 62.2° |
| H33 | C22 | C23 | H36 | 177.7° | 57.8° |
| H33 | C22 | C24 | H38 | 62.9° | 60.1° |
| H33 | C22 | C24 | H39 | 177.1° | 60.0° |
| H33 | C22 | C24 | H37 | 57.1° | 180.0° |
| H34 | C23 | H35 | H36 | 120.0° | 120.1° |
| H38 | C24 | H39 | H37 | 120.0° | 120.0° |
| H40 | C25 | O6 | H42 | 59.7° | 59.9° |
| H41 | C25 | O6 | H42 | 59.7° | 60.0° |
