83W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C16 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C19 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | O6 | sing | 1.45Å | 1.48Å | |
| O6 | C15 | sing | 1.35Å | 1.33Å | |
| O5 | C15 | doub | 1.21Å | 1.21Å | |
| C15 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | C14 | sing | 1.46Å | 1.45Å | |
| C24 | C22 | sing | 1.53Å | 1.51Å | |
| C25 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | O7 | sing | 1.43Å | 1.45Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| O7 | C20 | sing | 1.43Å | 1.44Å | |
| C14 | C20 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | C11 | sing | 1.55Å | 1.51Å | |
| C12 | N3 | sing | 1.47Å | 1.47Å | |
| C11 | C10 | sing | 1.55Å | 1.51Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C13 | N3 | sing | 1.35Å | 1.33Å | |
| C13 | O4 | doub | 1.21Å | 1.24Å | |
| N3 | C9 | sing | 1.47Å | 1.46Å | |
| C10 | C9 | sing | 1.54Å | 1.54Å | |
| C9 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C2 | sing | 1.46Å | 1.46Å | |
| O2 | C7 | doub | 1.21Å | 1.23Å | |
| C4 | C7 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.55Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C7 | N2 | sing | 1.34Å | 1.32Å | |
| C6 | N2 | sing | 1.47Å | 1.46Å | |
| C6 | C5 | sing | 1.54Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | O3 | sing | 1.43Å | 1.41Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| C24 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| N4 | H22 | sing | 0.97Å | 1.00Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C16 | C17 | 111.3° | 109.5° |
| C18 | C16 | C19 | 110.9° | 109.5° |
| C18 | C16 | O6 | 106.5° | 109.4° |
| C16 | C18 | H27 | 109.5° | 109.5° |
| C16 | C18 | H28 | 109.5° | 109.4° |
| C16 | C18 | H26 | 109.5° | 109.4° |
| C17 | C16 | C19 | 111.7° | 109.5° |
| C17 | C16 | O6 | 107.6° | 109.5° |
| C16 | C17 | H23 | 109.5° | 109.5° |
| C16 | C17 | H24 | 109.5° | 109.5° |
| C16 | C17 | H25 | 109.5° | 109.5° |
| C19 | C16 | O6 | 108.5° | 109.5° |
| C16 | C19 | H29 | 109.5° | 109.5° |
| C16 | C19 | H30 | 109.5° | 109.5° |
| C16 | C19 | H31 | 109.5° | 109.4° |
| C16 | O6 | C15 | 123.2° | 117.0° |
| O6 | C15 | O5 | 126.4° | 120.0° |
| O6 | C15 | N4 | 108.1° | 120.0° |
| O5 | C15 | N4 | 125.5° | 120.0° |
| C15 | N4 | C14 | 121.3° | 120.0° |
| C15 | N4 | H22 | 119.4° | 120.0° |
| N4 | C14 | C20 | 110.8° | 109.5° |
| N4 | C14 | C13 | 107.5° | 109.5° |
| N4 | C14 | H21 | 109.7° | 109.4° |
| C14 | N4 | H22 | 119.4° | 120.0° |
| C24 | C22 | C25 | 110.4° | 109.4° |
| C24 | C22 | O7 | 107.8° | 109.5° |
| C24 | C22 | C23 | 111.0° | 109.5° |
| C22 | C24 | H41 | 109.5° | 109.5° |
| C22 | C24 | H39 | 109.5° | 109.5° |
| C22 | C24 | H40 | 109.5° | 109.5° |
| C25 | C22 | O7 | 105.4° | 109.5° |
| C25 | C22 | C23 | 111.2° | 109.5° |
| C22 | C25 | H44 | 109.5° | 109.5° |
| C22 | C25 | H42 | 109.4° | 109.5° |
| C22 | C25 | H43 | 109.5° | 109.4° |
| O7 | C22 | C23 | 110.8° | 109.5° |
| C22 | O7 | C20 | 119.0° | 114.0° |
| C22 | C23 | H36 | 109.5° | 109.5° |
| C22 | C23 | H37 | 109.4° | 109.5° |
| C22 | C23 | H38 | 109.5° | 109.5° |
| O7 | C20 | C14 | 108.7° | 109.5° |
| O7 | C20 | C21 | 108.5° | 109.4° |
| O7 | C20 | H32 | 110.6° | 109.5° |
| C20 | C14 | C13 | 111.7° | 109.5° |
| C14 | C20 | C21 | 110.3° | 109.4° |
| C20 | C14 | H21 | 108.4° | 109.4° |
| C14 | C20 | H32 | 109.1° | 109.5° |
| C14 | C13 | N3 | 118.0° | 120.0° |
| C14 | C13 | O4 | 121.5° | 120.0° |
| C13 | C14 | H21 | 108.7° | 109.5° |
| C11 | C12 | N3 | 101.8° | 104.8° |
| C12 | C11 | C10 | 102.4° | 101.6° |
| C12 | C11 | H17 | 111.2° | 111.0° |
| C12 | C11 | H18 | 111.2° | 111.0° |
| C11 | C12 | H19 | 111.4° | 110.3° |
| C11 | C12 | H20 | 111.4° | 110.4° |
| C12 | N3 | C13 | 128.1° | 125.6° |
| C12 | N3 | C9 | 111.0° | 108.8° |
| N3 | C12 | H19 | 111.3° | 110.4° |
| N3 | C12 | H20 | 111.3° | 110.4° |
| C11 | C10 | C9 | 102.7° | 103.0° |
| C11 | C10 | H15 | 111.2° | 110.7° |
| C11 | C10 | H16 | 111.1° | 110.9° |
| C10 | C11 | H17 | 111.2° | 111.0° |
| C10 | C11 | H18 | 111.2° | 111.0° |
| C21 | C20 | H32 | 109.6° | 109.5° |
| C20 | C21 | H35 | 109.5° | 109.5° |
| C20 | C21 | H33 | 109.5° | 109.4° |
| C20 | C21 | H34 | 109.5° | 109.5° |
| N3 | C13 | O4 | 120.5° | 120.0° |
| C13 | N3 | C9 | 120.9° | 125.6° |
| N3 | C9 | C10 | 103.7° | 107.2° |
| N3 | C9 | C1 | 110.6° | 109.9° |
| N3 | C9 | H14 | 111.5° | 110.0° |
| C10 | C9 | C1 | 109.9° | 109.9° |
| C9 | C10 | H15 | 111.1° | 110.7° |
| C9 | C10 | H16 | 111.1° | 110.7° |
| C10 | C9 | H14 | 110.4° | 109.9° |
| C9 | C1 | O1 | 120.3° | 120.0° |
| C9 | C1 | N1 | 117.6° | 120.0° |
| C1 | C9 | H14 | 110.6° | 109.8° |
| O1 | C1 | N1 | 122.0° | 119.9° |
| C1 | N1 | C2 | 122.5° | 120.0° |
| C1 | N1 | H1 | 118.8° | 119.9° |
| N1 | C2 | C3 | 110.5° | 109.5° |
| N1 | C2 | C8 | 108.9° | 109.4° |
| N1 | C2 | H2 | 108.9° | 109.5° |
| C2 | N1 | H1 | 118.8° | 120.0° |
| O2 | C7 | C4 | 125.5° | 124.9° |
| O2 | C7 | N2 | 125.3° | 124.9° |
| C7 | C4 | C5 | 101.9° | 104.2° |
| C7 | C4 | C3 | 113.7° | 110.5° |
| C4 | C7 | N2 | 109.0° | 110.1° |
| C7 | C4 | H5 | 108.8° | 110.5° |
| C5 | C4 | C3 | 115.0° | 110.5° |
| C4 | C5 | C6 | 105.1° | 101.8° |
| C5 | C4 | H5 | 108.7° | 110.5° |
| C4 | C5 | H7 | 110.6° | 111.0° |
| C4 | C5 | H6 | 110.6° | 111.0° |
| C4 | C3 | C2 | 114.0° | 109.5° |
| C4 | C3 | H3 | 108.3° | 109.5° |
| C4 | C3 | H4 | 108.3° | 109.5° |
| C3 | C4 | H5 | 108.5° | 110.5° |
| C7 | N2 | C6 | 113.9° | 111.3° |
| C7 | N2 | H10 | 123.0° | 124.3° |
| N2 | C6 | C5 | 101.5° | 105.5° |
| N2 | C6 | H9 | 111.4° | 110.2° |
| N2 | C6 | H8 | 111.4° | 110.3° |
| C6 | N2 | H10 | 123.1° | 124.4° |
| C6 | C5 | H7 | 110.5° | 111.0° |
| C6 | C5 | H6 | 110.5° | 111.0° |
| C5 | C6 | H9 | 111.4° | 110.2° |
| C5 | C6 | H8 | 111.4° | 110.3° |
| C3 | C2 | C8 | 112.3° | 109.5° |
| C3 | C2 | H2 | 108.2° | 109.5° |
| C2 | C3 | H3 | 108.3° | 109.5° |
| C2 | C3 | H4 | 108.3° | 109.5° |
| C2 | C8 | O3 | 111.5° | 109.5° |
| C8 | C2 | H2 | 108.1° | 109.5° |
| C2 | C8 | H11 | 109.0° | 109.5° |
| C2 | C8 | H12 | 109.0° | 109.4° |
| O3 | C8 | H11 | 109.0° | 109.5° |
| O3 | C8 | H12 | 108.9° | 109.4° |
| C8 | O3 | H13 | 109.5° | 114.1° |
| H15 | C10 | H16 | 109.5° | 110.7° |
| H17 | C11 | H18 | 109.5° | 110.9° |
| H19 | C12 | H20 | 109.5° | 110.4° |
| H23 | C17 | H24 | 109.5° | 109.5° |
| H23 | C17 | H25 | 109.5° | 109.4° |
| H24 | C17 | H25 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| H27 | C18 | H26 | 109.5° | 109.5° |
| H28 | C18 | H26 | 109.5° | 109.4° |
| H29 | C19 | H30 | 109.5° | 109.5° |
| H29 | C19 | H31 | 109.4° | 109.4° |
| H30 | C19 | H31 | 109.5° | 109.4° |
| H35 | C21 | H33 | 109.4° | 109.5° |
| H35 | C21 | H34 | 109.5° | 109.5° |
| H33 | C21 | H34 | 109.5° | 109.5° |
| H36 | C23 | H37 | 109.4° | 109.4° |
| H36 | C23 | H38 | 109.4° | 109.5° |
| H37 | C23 | H38 | 109.5° | 109.5° |
| H41 | C24 | H39 | 109.4° | 109.5° |
| H41 | C24 | H40 | 109.4° | 109.5° |
| H39 | C24 | H40 | 109.5° | 109.4° |
| H44 | C25 | H42 | 109.5° | 109.5° |
| H44 | C25 | H43 | 109.4° | 109.5° |
| H42 | C25 | H43 | 109.5° | 109.4° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H7 | C5 | H6 | 109.5° | 110.9° |
| H9 | C6 | H8 | 109.4° | 110.2° |
| H11 | C8 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C16 | C17 | C19 | 124.6° | 120.0° |
| C18 | C16 | C17 | O6 | 116.3° | 120.0° |
| C18 | C16 | C19 | O6 | 116.7° | 120.0° |
| C18 | C16 | O6 | C15 | 175.2° | 60.1° |
| C18 | C16 | C17 | H23 | 180.0° | 180.0° |
| C18 | C16 | C17 | H24 | 60.0° | 60.0° |
| C18 | C16 | C17 | H25 | 60.0° | 60.0° |
| C16 | C18 | H27 | H28 | 120.0° | 120.0° |
| C16 | C18 | H27 | H26 | 120.0° | 120.0° |
| C16 | C18 | H28 | H26 | 120.0° | 119.9° |
| C18 | C16 | C19 | H29 | 180.0° | 60.0° |
| C18 | C16 | C19 | H30 | 60.0° | 60.1° |
| C18 | C16 | C19 | H31 | 60.0° | 180.0° |
| C17 | C16 | C19 | O6 | 118.4° | 120.0° |
| C17 | C16 | O6 | C15 | 65.3° | 59.9° |
| C16 | C17 | H23 | H24 | 120.0° | 120.0° |
| C16 | C17 | H23 | H25 | 120.0° | 120.0° |
| C16 | C17 | H24 | H25 | 120.0° | 120.0° |
| C17 | C16 | C18 | H27 | 180.0° | 53.4° |
| C17 | C16 | C18 | H28 | 60.0° | 66.6° |
| C17 | C16 | C18 | H26 | 60.0° | 173.5° |
| C17 | C16 | C19 | H29 | 55.1° | 180.0° |
| C17 | C16 | C19 | H30 | 175.2° | 60.0° |
| C17 | C16 | C19 | H31 | 64.9° | 60.0° |
| C19 | C16 | O6 | C15 | 55.7° | 179.9° |
| C19 | C16 | C17 | H23 | 55.4° | 60.0° |
| C19 | C16 | C17 | H24 | 64.6° | 60.0° |
| C19 | C16 | C17 | H25 | 175.4° | 180.0° |
| C19 | C16 | C18 | H27 | 54.9° | 173.4° |
| C19 | C16 | C18 | H28 | 174.9° | 53.4° |
| C19 | C16 | C18 | H26 | 65.1° | 66.5° |
| C16 | C19 | H29 | H30 | 120.0° | 120.1° |
| C16 | C19 | H29 | H31 | 120.0° | 120.0° |
| C16 | C19 | H30 | H31 | 120.0° | 120.0° |
| C16 | O6 | C15 | O5 | 1.5° | 3.8° |
| C16 | O6 | C15 | N4 | 179.9° | 176.2° |
| O6 | C16 | C17 | H23 | 63.7° | 60.0° |
| O6 | C16 | C17 | H24 | 176.3° | 180.0° |
| O6 | C16 | C17 | H25 | 56.4° | 60.0° |
| O6 | C16 | C18 | H27 | 63.0° | 66.6° |
| O6 | C16 | C18 | H28 | 57.0° | 173.4° |
| O6 | C16 | C18 | H26 | 176.9° | 53.5° |
| O6 | C16 | C19 | H29 | 63.3° | 59.9° |
| O6 | C16 | C19 | H30 | 56.7° | 180.0° |
| O6 | C16 | C19 | H31 | 176.7° | 60.0° |
| O6 | C15 | O5 | N4 | 178.3° | 180.0° |
| O6 | C15 | N4 | C14 | 176.6° | 175.2° |
| O6 | C15 | N4 | H22 | 3.4° | 4.8° |
| O5 | C15 | N4 | C14 | 4.8° | 4.8° |
| O5 | C15 | N4 | H22 | 175.2° | 175.2° |
| C15 | N4 | C14 | H22 | 180.0° | 180.0° |
| C15 | N4 | C14 | C20 | 118.1° | 83.2° |
| C15 | N4 | C14 | C13 | 119.5° | 156.7° |
| C15 | N4 | C14 | H21 | 1.5° | 36.7° |
| N4 | C14 | C20 | O7 | 66.2° | 176.1° |
| N4 | C14 | C20 | C13 | 119.9° | 120.1° |
| N4 | C14 | C20 | H21 | 120.4° | 119.9° |
| N4 | C14 | C13 | H21 | 118.7° | 120.0° |
| N4 | C14 | C20 | C21 | 175.0° | 56.2° |
| N4 | C14 | C13 | N3 | 105.1° | 155.1° |
| N4 | C14 | C13 | O4 | 76.1° | 24.8° |
| N4 | C14 | C20 | H32 | 54.5° | 63.8° |
| C24 | C22 | C25 | O7 | 116.2° | 120.0° |
| C24 | C22 | C25 | C23 | 123.7° | 120.0° |
| C24 | C22 | O7 | C23 | 121.6° | 120.0° |
| C24 | C22 | O7 | C20 | 69.5° | 56.4° |
| C24 | C22 | C23 | H36 | 180.0° | 180.0° |
| C24 | C22 | C23 | H37 | 60.0° | 60.0° |
| C24 | C22 | C23 | H38 | 60.0° | 60.0° |
| C22 | C24 | H41 | H39 | 120.0° | 120.0° |
| C22 | C24 | H41 | H40 | 120.0° | 120.0° |
| C22 | C24 | H39 | H40 | 120.0° | 120.0° |
| C24 | C22 | C25 | H44 | 180.0° | 54.5° |
| C24 | C22 | C25 | H42 | 60.0° | 65.6° |
| C24 | C22 | C25 | H43 | 60.0° | 174.5° |
| C25 | C22 | O7 | C23 | 120.4° | 120.0° |
| C25 | C22 | O7 | C20 | 172.5° | 176.3° |
| C25 | C22 | C23 | H36 | 56.7° | 60.0° |
| C25 | C22 | C23 | H37 | 63.3° | 59.9° |
| C25 | C22 | C23 | H38 | 176.6° | 180.0° |
| C25 | C22 | C24 | H41 | 180.0° | 175.3° |
| C25 | C22 | C24 | H39 | 60.0° | 64.7° |
| C25 | C22 | C24 | H40 | 60.0° | 55.3° |
| C22 | C25 | H44 | H42 | 120.0° | 120.1° |
| C22 | C25 | H44 | H43 | 120.0° | 120.0° |
| C22 | C25 | H42 | H43 | 120.0° | 120.0° |
| C22 | O7 | C20 | C14 | 134.5° | 114.6° |
| C22 | O7 | C20 | C21 | 105.5° | 125.5° |
| C22 | O7 | C20 | H32 | 14.7° | 5.4° |
| O7 | C22 | C23 | H36 | 60.2° | 60.0° |
| O7 | C22 | C23 | H37 | 179.8° | 180.0° |
| O7 | C22 | C23 | H38 | 59.8° | 60.0° |
| O7 | C22 | C24 | H41 | 65.3° | 55.3° |
| O7 | C22 | C24 | H39 | 174.7° | 175.3° |
| O7 | C22 | C24 | H40 | 54.7° | 64.7° |
| O7 | C22 | C25 | H44 | 63.8° | 65.5° |
| O7 | C22 | C25 | H42 | 56.2° | 174.5° |
| O7 | C22 | C25 | H43 | 176.2° | 54.5° |
| C23 | C22 | O7 | C20 | 52.1° | 63.6° |
| C22 | C23 | H36 | H37 | 120.0° | 120.0° |
| C22 | C23 | H36 | H38 | 120.0° | 120.0° |
| C22 | C23 | H37 | H38 | 120.0° | 120.0° |
| C23 | C22 | C24 | H41 | 56.2° | 64.7° |
| C23 | C22 | C24 | H39 | 63.8° | 55.3° |
| C23 | C22 | C24 | H40 | 176.2° | 175.3° |
| C23 | C22 | C25 | H44 | 56.3° | 174.5° |
| C23 | C22 | C25 | H42 | 176.3° | 54.4° |
| C23 | C22 | C25 | H43 | 63.7° | 65.5° |
| O7 | C20 | C14 | C21 | 118.9° | 119.9° |
| O7 | C20 | C14 | H32 | 120.7° | 120.1° |
| O7 | C20 | C14 | C13 | 174.0° | 56.0° |
| O7 | C20 | C21 | H32 | 120.8° | 120.1° |
| O7 | C20 | C14 | H21 | 54.3° | 64.0° |
| O7 | C20 | C21 | H35 | 180.0° | 54.5° |
| O7 | C20 | C21 | H33 | 60.0° | 65.5° |
| O7 | C20 | C21 | H34 | 60.0° | 174.5° |
| C20 | C14 | C13 | H21 | 119.5° | 120.0° |
| C14 | C20 | C21 | H32 | 120.2° | 120.0° |
| C20 | C14 | C13 | N3 | 133.1° | 84.8° |
| C20 | C14 | C13 | O4 | 45.7° | 95.2° |
| C14 | C20 | C21 | H35 | 61.0° | 65.5° |
| C14 | C20 | C21 | H33 | 59.0° | 174.5° |
| C14 | C20 | C21 | H34 | 179.0° | 54.5° |
| C20 | C14 | N4 | H22 | 61.9° | 96.8° |
| C14 | C13 | N3 | C12 | 4.8° | 4.9° |
| C13 | C14 | C20 | C21 | 55.1° | 63.9° |
| C14 | C13 | N3 | O4 | 178.8° | 179.9° |
| C14 | C13 | N3 | C9 | 174.1° | 175.1° |
| C13 | C14 | C20 | H32 | 65.4° | 176.1° |
| C13 | C14 | N4 | H22 | 60.5° | 23.3° |
| C11 | C12 | N3 | H19 | 118.8° | 118.8° |
| C11 | C12 | N3 | H20 | 118.7° | 118.9° |
| C12 | C11 | C10 | H17 | 118.8° | 118.1° |
| C12 | C11 | C10 | H18 | 118.9° | 118.1° |
| C11 | C12 | N3 | C13 | 157.2° | 155.9° |
| C11 | C12 | N3 | C9 | 23.8° | 24.1° |
| C12 | C11 | C10 | C9 | 41.6° | 35.5° |
| C12 | C11 | C10 | H15 | 160.5° | 153.8° |
| C12 | C11 | C10 | H16 | 77.3° | 83.0° |
| C12 | C11 | H17 | H18 | 123.3° | 123.9° |
| C11 | C12 | H19 | H20 | 123.6° | 122.3° |
| N3 | C12 | C11 | C10 | 40.0° | 37.0° |
| C12 | N3 | C13 | C9 | 178.9° | 180.0° |
| C12 | N3 | C13 | O4 | 176.4° | 175.1° |
| C12 | N3 | C9 | C10 | 1.9° | 1.1° |
| C12 | N3 | C9 | C1 | 119.7° | 118.4° |
| N3 | C12 | C11 | H17 | 78.9° | 155.1° |
| N3 | C12 | C11 | H18 | 158.8° | 81.1° |
| N3 | C12 | H19 | H20 | 123.6° | 122.3° |
| C12 | N3 | C9 | H14 | 116.9° | 120.6° |
| C11 | C10 | C9 | N3 | 26.9° | 22.2° |
| C11 | C10 | C9 | H15 | 118.9° | 118.3° |
| C11 | C10 | C9 | H16 | 118.9° | 118.5° |
| C11 | C10 | C9 | C1 | 145.2° | 141.6° |
| C11 | C10 | H15 | H16 | 123.2° | 123.4° |
| C10 | C11 | H17 | H18 | 123.3° | 123.9° |
| C10 | C11 | C12 | H19 | 78.8° | 81.8° |
| C10 | C11 | C12 | H20 | 158.7° | 155.8° |
| C11 | C10 | C9 | H14 | 92.6° | 97.4° |
| C21 | C20 | C14 | H21 | 64.6° | 176.1° |
| C20 | C21 | H35 | H33 | 120.0° | 120.0° |
| C20 | C21 | H35 | H34 | 120.0° | 120.0° |
| C20 | C21 | H33 | H34 | 120.0° | 120.0° |
| C13 | N3 | C9 | C10 | 177.2° | 178.9° |
| C13 | N3 | C9 | C1 | 59.4° | 61.6° |
| C13 | N3 | C12 | H19 | 84.0° | 85.3° |
| C13 | N3 | C12 | H20 | 38.5° | 37.0° |
| N3 | C13 | C14 | H21 | 13.5° | 35.1° |
| C13 | N3 | C9 | H14 | 64.1° | 59.5° |
| O4 | C13 | N3 | C9 | 4.7° | 5.0° |
| O4 | C13 | C14 | H21 | 165.2° | 144.8° |
| N3 | C9 | C10 | C1 | 118.3° | 119.4° |
| N3 | C9 | C10 | H14 | 119.5° | 119.6° |
| N3 | C9 | C1 | H14 | 124.0° | 121.2° |
| N3 | C9 | C1 | O1 | 42.2° | 0.7° |
| N3 | C9 | C1 | N1 | 138.7° | 178.9° |
| N3 | C9 | C10 | H15 | 145.8° | 140.5° |
| N3 | C9 | C10 | H16 | 92.0° | 96.4° |
| C9 | N3 | C12 | H19 | 95.0° | 94.7° |
| C9 | N3 | C12 | H20 | 142.5° | 143.0° |
| C10 | C9 | C1 | H14 | 122.1° | 121.0° |
| C10 | C9 | C1 | O1 | 71.7° | 118.5° |
| C10 | C9 | C1 | N1 | 107.4° | 61.2° |
| C9 | C10 | H15 | H16 | 123.1° | 123.1° |
| C9 | C10 | C11 | H17 | 77.2° | 153.6° |
| C9 | C10 | C11 | H18 | 160.5° | 82.6° |
| C9 | C1 | O1 | N1 | 179.0° | 179.7° |
| C9 | C1 | N1 | C2 | 176.5° | 179.7° |
| C1 | C9 | C10 | H15 | 95.9° | 100.1° |
| C1 | C9 | C10 | H16 | 26.3° | 23.1° |
| C9 | C1 | N1 | H1 | 3.5° | 0.3° |
| O1 | C1 | N1 | C2 | 2.6° | 0.1° |
| O1 | C1 | C9 | H14 | 166.2° | 120.5° |
| O1 | C1 | N1 | H1 | 177.4° | 180.0° |
| C1 | N1 | C2 | H1 | 180.0° | 179.9° |
| C1 | N1 | C2 | C3 | 112.2° | 155.0° |
| C1 | N1 | C2 | C8 | 124.1° | 85.0° |
| C1 | N1 | C2 | H2 | 6.5° | 35.0° |
| N1 | C1 | C9 | H14 | 14.7° | 59.8° |
| N1 | C2 | C3 | C4 | 65.4° | 65.0° |
| N1 | C2 | C3 | C8 | 121.7° | 120.0° |
| N1 | C2 | C3 | H2 | 119.1° | 120.0° |
| N1 | C2 | C8 | H2 | 118.1° | 120.0° |
| N1 | C2 | C8 | O3 | 172.8° | 65.0° |
| N1 | C2 | C3 | H3 | 173.9° | 55.0° |
| N1 | C2 | C3 | H4 | 55.2° | 175.0° |
| N1 | C2 | C8 | H11 | 66.8° | 55.0° |
| N1 | C2 | C8 | H12 | 52.6° | 175.0° |
| O2 | C7 | C4 | N2 | 175.3° | 179.9° |
| O2 | C7 | C4 | C5 | 170.0° | 163.7° |
| O2 | C7 | C4 | C3 | 45.7° | 77.6° |
| O2 | C7 | N2 | C6 | 171.6° | 179.7° |
| O2 | C7 | C4 | H5 | 75.3° | 45.0° |
| O2 | C7 | N2 | H10 | 8.5° | 0.3° |
| C7 | C4 | C5 | C3 | 123.5° | 118.7° |
| C7 | C4 | C5 | H5 | 114.7° | 118.7° |
| C7 | C4 | C3 | H5 | 121.1° | 122.6° |
| C4 | C7 | N2 | C6 | 3.8° | 0.4° |
| C7 | C4 | C5 | C6 | 26.5° | 24.7° |
| C7 | C4 | C3 | C2 | 177.7° | 66.5° |
| C7 | C4 | C3 | H3 | 61.6° | 53.6° |
| C7 | C4 | C3 | H4 | 57.1° | 173.6° |
| C7 | C4 | C5 | H7 | 92.8° | 142.9° |
| C7 | C4 | C5 | H6 | 145.8° | 93.4° |
| C4 | C7 | N2 | H10 | 176.2° | 179.6° |
| C5 | C4 | C3 | H5 | 121.9° | 122.6° |
| C5 | C4 | C7 | N2 | 14.6° | 16.2° |
| C4 | C5 | C6 | N2 | 28.4° | 25.4° |
| C4 | C5 | C6 | H7 | 119.3° | 118.1° |
| C4 | C5 | C6 | H6 | 119.3° | 118.1° |
| C5 | C4 | C3 | C2 | 65.3° | 178.8° |
| C5 | C4 | C3 | H3 | 55.4° | 61.2° |
| C5 | C4 | C3 | H4 | 174.0° | 58.8° |
| C4 | C5 | H7 | H6 | 122.0° | 123.8° |
| C4 | C5 | C6 | H9 | 90.4° | 93.6° |
| C4 | C5 | C6 | H8 | 147.1° | 144.4° |
| C3 | C4 | C7 | N2 | 139.0° | 102.5° |
| C3 | C4 | C5 | C6 | 150.0° | 93.9° |
| C4 | C3 | C2 | H3 | 120.7° | 120.0° |
| C4 | C3 | C2 | H4 | 120.7° | 120.0° |
| C4 | C3 | C2 | C8 | 172.8° | 175.0° |
| C4 | C3 | C2 | H2 | 53.7° | 55.0° |
| C4 | C3 | H3 | H4 | 117.9° | 120.0° |
| C3 | C4 | C5 | H7 | 30.7° | 24.2° |
| C3 | C4 | C5 | H6 | 90.7° | 148.0° |
| C7 | N2 | C6 | H10 | 180.0° | 180.0° |
| C7 | N2 | C6 | C5 | 20.6° | 17.0° |
| N2 | C7 | C4 | H5 | 100.0° | 134.9° |
| C7 | N2 | C6 | H9 | 98.1° | 102.0° |
| C7 | N2 | C6 | H8 | 139.3° | 136.1° |
| N2 | C6 | C5 | H9 | 118.7° | 119.0° |
| N2 | C6 | C5 | H8 | 118.7° | 119.1° |
| N2 | C6 | C5 | H7 | 90.9° | 143.5° |
| N2 | C6 | C5 | H6 | 147.7° | 92.7° |
| N2 | C6 | H9 | H8 | 123.7° | 122.0° |
| C6 | C5 | C4 | H5 | 88.2° | 143.4° |
| C6 | C5 | H7 | H6 | 122.0° | 123.8° |
| C5 | C6 | H9 | H8 | 123.7° | 122.0° |
| C5 | C6 | N2 | H10 | 159.4° | 163.0° |
| C3 | C2 | C8 | H2 | 119.2° | 120.0° |
| C3 | C2 | C8 | O3 | 64.5° | 55.0° |
| C2 | C3 | H3 | H4 | 117.9° | 120.0° |
| C2 | C3 | C4 | H5 | 56.6° | 56.1° |
| C3 | C2 | N1 | H1 | 67.8° | 24.9° |
| C3 | C2 | C8 | H11 | 55.8° | 175.0° |
| C3 | C2 | C8 | H12 | 175.2° | 65.0° |
| C2 | C8 | O3 | H11 | 120.3° | 120.0° |
| C2 | C8 | O3 | H12 | 120.3° | 120.0° |
| C8 | C2 | C3 | H3 | 52.2° | 65.0° |
| C8 | C2 | C3 | H4 | 66.5° | 55.0° |
| C8 | C2 | N1 | H1 | 55.9° | 95.0° |
| C2 | C8 | H11 | H12 | 119.1° | 120.0° |
| C2 | C8 | O3 | H13 | 180.0° | 180.0° |
| O3 | C8 | C2 | H2 | 54.7° | 175.0° |
| O3 | C8 | H11 | H12 | 119.0° | 120.0° |
| H15 | C10 | C11 | H17 | 41.7° | 88.1° |
| H15 | C10 | C11 | H18 | 80.6° | 35.7° |
| H15 | C10 | C9 | H14 | 26.3° | 20.9° |
| H16 | C10 | C11 | H17 | 163.9° | 35.2° |
| H16 | C10 | C11 | H18 | 41.6° | 159.0° |
| H16 | C10 | C9 | H14 | 148.5° | 144.0° |
| H17 | C11 | C12 | H19 | 162.4° | 36.3° |
| H17 | C11 | C12 | H20 | 39.8° | 86.0° |
| H18 | C11 | C12 | H19 | 40.1° | 160.1° |
| H18 | C11 | C12 | H20 | 82.4° | 37.8° |
| H21 | C14 | C20 | H32 | 174.9° | 56.1° |
| H21 | C14 | N4 | H22 | 178.5° | 143.3° |
| H23 | C17 | H24 | H25 | 120.0° | 120.0° |
| H27 | C18 | H28 | H26 | 120.0° | 120.0° |
| H29 | C19 | H30 | H31 | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 67.0° | 175.0° |
| H2 | C2 | C3 | H4 | 174.3° | 65.0° |
| H2 | C2 | N1 | H1 | 173.5° | 145.0° |
| H2 | C2 | C8 | H11 | 175.0° | 65.0° |
| H2 | C2 | C8 | H12 | 65.6° | 55.0° |
| H32 | C20 | C21 | H35 | 59.2° | 174.5° |
| H32 | C20 | C21 | H33 | 179.2° | 54.6° |
| H32 | C20 | C21 | H34 | 60.8° | 65.4° |
| H35 | C21 | H33 | H34 | 120.0° | 120.0° |
| H36 | C23 | H37 | H38 | 119.9° | 120.0° |
| H41 | C24 | H39 | H40 | 120.0° | 120.0° |
| H44 | C25 | H42 | H43 | 120.0° | 120.0° |
| H3 | C3 | C4 | H5 | 177.2° | 176.1° |
| H4 | C3 | C4 | H5 | 64.1° | 63.9° |
| H5 | C4 | C5 | H7 | 152.5° | 98.4° |
| H5 | C4 | C5 | H6 | 31.1° | 25.3° |
| H7 | C5 | C6 | H9 | 150.3° | 24.5° |
| H7 | C5 | C6 | H8 | 27.8° | 97.4° |
| H6 | C5 | C6 | H9 | 29.0° | 148.3° |
| H6 | C5 | C6 | H8 | 93.6° | 26.3° |
| H9 | C6 | N2 | H10 | 81.9° | 78.0° |
| H8 | C6 | N2 | H10 | 40.6° | 43.9° |
| H11 | C8 | O3 | H13 | 59.7° | 60.0° |
| H12 | C8 | O3 | H13 | 59.7° | 60.0° |
