83F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C19 | C17 | sing | 1.53Å | 1.51Å | |
| C20 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | O6 | sing | 1.45Å | 1.48Å | |
| O6 | C16 | sing | 1.35Å | 1.34Å | |
| O5 | C16 | doub | 1.22Å | 1.21Å | |
| C16 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | C15 | sing | 1.47Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C13 | C2 | sing | 1.55Å | 1.54Å | |
| C13 | N3 | sing | 1.47Å | 1.48Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C15 | C21 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.55Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C14 | N3 | sing | 1.35Å | 1.34Å | |
| C14 | O4 | doub | 1.21Å | 1.24Å | |
| N3 | C4 | sing | 1.47Å | 1.47Å | |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.54Å | 1.53Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | O1 | doub | 1.21Å | 1.23Å | |
| C5 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C6 | sing | 1.46Å | 1.46Å | |
| C8 | C11 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | sing | 1.55Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| O2 | C11 | doub | 1.21Å | 1.23Å | |
| C11 | N2 | sing | 1.34Å | 1.32Å | |
| C10 | N2 | sing | 1.47Å | 1.46Å | |
| C10 | C9 | sing | 1.54Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | O3 | sing | 1.43Å | 1.41Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| N4 | H24 | sing | 0.97Å | 1.00Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| O3 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C19 | 111.0° | 109.5° |
| C18 | C17 | C20 | 110.8° | 109.5° |
| C18 | C17 | O6 | 107.1° | 109.5° |
| C17 | C18 | H27 | 109.5° | 109.5° |
| C17 | C18 | H25 | 109.5° | 109.5° |
| C17 | C18 | H26 | 109.5° | 109.5° |
| C19 | C17 | C20 | 111.0° | 109.5° |
| C19 | C17 | O6 | 108.6° | 109.5° |
| C17 | C19 | H30 | 109.5° | 109.4° |
| C17 | C19 | H28 | 109.5° | 109.5° |
| C17 | C19 | H29 | 109.5° | 109.5° |
| C20 | C17 | O6 | 108.1° | 109.5° |
| C17 | C20 | H31 | 109.5° | 109.5° |
| C17 | C20 | H32 | 109.4° | 109.5° |
| C17 | C20 | H33 | 109.5° | 109.5° |
| C17 | O6 | C16 | 122.5° | 117.0° |
| O6 | C16 | O5 | 126.9° | 119.9° |
| O6 | C16 | N4 | 109.0° | 120.0° |
| O5 | C16 | N4 | 124.0° | 120.0° |
| C16 | N4 | C15 | 120.7° | 120.0° |
| C16 | N4 | H24 | 119.7° | 120.0° |
| N4 | C15 | C14 | 107.9° | 109.5° |
| N4 | C15 | C21 | 112.5° | 109.5° |
| N4 | C15 | H23 | 109.3° | 109.5° |
| C15 | N4 | H24 | 119.7° | 119.9° |
| C1 | C2 | C13 | 114.0° | 111.0° |
| C1 | C2 | C3 | 116.6° | 111.0° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.4° | 110.9° |
| C2 | C13 | N3 | 101.8° | 104.9° |
| C13 | C2 | C3 | 101.3° | 101.6° |
| C2 | C13 | H21 | 111.3° | 110.4° |
| C2 | C13 | H22 | 111.3° | 110.4° |
| C13 | C2 | H4 | 108.0° | 111.0° |
| C13 | N3 | C14 | 128.3° | 125.7° |
| C13 | N3 | C4 | 110.9° | 108.7° |
| N3 | C13 | H21 | 111.3° | 110.4° |
| N3 | C13 | H22 | 111.3° | 110.4° |
| C14 | C15 | C21 | 110.7° | 109.5° |
| C15 | C14 | N3 | 118.1° | 120.0° |
| C15 | C14 | O4 | 120.2° | 120.0° |
| C14 | C15 | H23 | 108.2° | 109.5° |
| C15 | C21 | C22 | 111.1° | 109.5° |
| C15 | C21 | C23 | 112.1° | 109.4° |
| C21 | C15 | H23 | 108.1° | 109.4° |
| C15 | C21 | H34 | 107.6° | 109.5° |
| C2 | C3 | C4 | 101.9° | 102.9° |
| C3 | C2 | H4 | 108.1° | 111.0° |
| C2 | C3 | H6 | 111.3° | 110.7° |
| C2 | C3 | H5 | 111.3° | 110.7° |
| C22 | C21 | C23 | 110.4° | 109.5° |
| C22 | C21 | H34 | 107.7° | 109.5° |
| C21 | C22 | H37 | 109.5° | 109.5° |
| C21 | C22 | H35 | 109.5° | 109.4° |
| C21 | C22 | H36 | 109.4° | 109.5° |
| N3 | C14 | O4 | 121.6° | 120.0° |
| C14 | N3 | C4 | 120.8° | 125.7° |
| N3 | C4 | C3 | 104.5° | 107.3° |
| N3 | C4 | C5 | 110.5° | 109.9° |
| N3 | C4 | H7 | 110.7° | 110.0° |
| C23 | C21 | H34 | 107.8° | 109.5° |
| C21 | C23 | H40 | 109.5° | 109.5° |
| C21 | C23 | H38 | 109.5° | 109.5° |
| C21 | C23 | H39 | 109.5° | 109.5° |
| C3 | C4 | C5 | 111.5° | 109.9° |
| C4 | C3 | H6 | 111.3° | 110.8° |
| C4 | C3 | H5 | 111.3° | 110.7° |
| C3 | C4 | H7 | 109.7° | 109.9° |
| C4 | C5 | O1 | 121.3° | 120.0° |
| C4 | C5 | N1 | 115.9° | 120.0° |
| C5 | C4 | H7 | 109.9° | 109.8° |
| O1 | C5 | N1 | 122.8° | 120.0° |
| C5 | N1 | C6 | 122.3° | 120.0° |
| C5 | N1 | H8 | 118.9° | 120.0° |
| N1 | C6 | C7 | 110.5° | 109.5° |
| N1 | C6 | C12 | 108.8° | 109.5° |
| N1 | C6 | H9 | 109.0° | 109.5° |
| C6 | N1 | H8 | 118.8° | 120.0° |
| C11 | C8 | C9 | 103.2° | 104.2° |
| C11 | C8 | C7 | 113.7° | 110.5° |
| C8 | C11 | O2 | 125.2° | 124.9° |
| C8 | C11 | N2 | 108.7° | 110.2° |
| C11 | C8 | H12 | 108.3° | 110.5° |
| C9 | C8 | C7 | 114.8° | 110.5° |
| C8 | C9 | C10 | 104.9° | 101.8° |
| C9 | C8 | H12 | 108.3° | 110.5° |
| C8 | C9 | H14 | 110.6° | 111.0° |
| C8 | C9 | H13 | 110.6° | 111.0° |
| C8 | C7 | C6 | 113.4° | 109.4° |
| C8 | C7 | H11 | 108.5° | 109.5° |
| C8 | C7 | H10 | 108.4° | 109.5° |
| C7 | C8 | H12 | 108.2° | 110.5° |
| O2 | C11 | N2 | 126.0° | 124.9° |
| C11 | N2 | C10 | 114.0° | 111.3° |
| C11 | N2 | H17 | 123.0° | 124.4° |
| N2 | C10 | C9 | 102.6° | 105.4° |
| N2 | C10 | H16 | 111.1° | 110.2° |
| N2 | C10 | H15 | 111.1° | 110.2° |
| C10 | N2 | H17 | 123.0° | 124.3° |
| C9 | C10 | H16 | 111.2° | 110.3° |
| C9 | C10 | H15 | 111.1° | 110.2° |
| C10 | C9 | H14 | 110.6° | 111.0° |
| C10 | C9 | H13 | 110.6° | 110.9° |
| C7 | C6 | C12 | 112.1° | 109.4° |
| C7 | C6 | H9 | 108.1° | 109.5° |
| C6 | C7 | H11 | 108.5° | 109.5° |
| C6 | C7 | H10 | 108.5° | 109.4° |
| C6 | C12 | O3 | 111.4° | 109.5° |
| C12 | C6 | H9 | 108.2° | 109.5° |
| C6 | C12 | H18 | 109.0° | 109.5° |
| C6 | C12 | H19 | 109.0° | 109.5° |
| O3 | C12 | H18 | 109.0° | 109.5° |
| O3 | C12 | H19 | 109.0° | 109.5° |
| C12 | O3 | H20 | 109.5° | 114.0° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H1 | 109.4° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H16 | C10 | H15 | 109.5° | 110.3° |
| H21 | C13 | H22 | 109.5° | 110.4° |
| H27 | C18 | H25 | 109.5° | 109.5° |
| H27 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.4° |
| H30 | C19 | H28 | 109.5° | 109.4° |
| H30 | C19 | H29 | 109.4° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H31 | C20 | H32 | 109.5° | 109.4° |
| H31 | C20 | H33 | 109.5° | 109.4° |
| H32 | C20 | H33 | 109.5° | 109.5° |
| H37 | C22 | H35 | 109.4° | 109.5° |
| H37 | C22 | H36 | 109.5° | 109.5° |
| H35 | C22 | H36 | 109.5° | 109.5° |
| H40 | C23 | H38 | 109.5° | 109.5° |
| H40 | C23 | H39 | 109.5° | 109.6° |
| H38 | C23 | H39 | 109.5° | 109.4° |
| H6 | C3 | H5 | 109.5° | 110.7° |
| H11 | C7 | H10 | 109.5° | 109.5° |
| H14 | C9 | H13 | 109.4° | 110.9° |
| H18 | C12 | H19 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C19 | C20 | 123.8° | 120.0° |
| C18 | C17 | C19 | O6 | 117.5° | 120.0° |
| C18 | C17 | C20 | O6 | 117.1° | 120.0° |
| C18 | C17 | O6 | C16 | 175.5° | 60.0° |
| C17 | C18 | H27 | H25 | 120.0° | 120.0° |
| C17 | C18 | H27 | H26 | 120.0° | 120.0° |
| C17 | C18 | H25 | H26 | 120.0° | 120.0° |
| C18 | C17 | C19 | H30 | 180.0° | 60.0° |
| C18 | C17 | C19 | H28 | 60.0° | 60.0° |
| C18 | C17 | C19 | H29 | 60.0° | 180.0° |
| C18 | C17 | C20 | H31 | 180.0° | 180.0° |
| C18 | C17 | C20 | H32 | 60.0° | 60.0° |
| C18 | C17 | C20 | H33 | 60.0° | 60.0° |
| C19 | C17 | C20 | O6 | 119.0° | 120.0° |
| C19 | C17 | O6 | C16 | 55.6° | 60.0° |
| C19 | C17 | C18 | H27 | 180.0° | 180.0° |
| C19 | C17 | C18 | H25 | 60.0° | 60.0° |
| C19 | C17 | C18 | H26 | 60.0° | 60.0° |
| C17 | C19 | H30 | H28 | 120.0° | 119.9° |
| C17 | C19 | H30 | H29 | 120.0° | 120.0° |
| C17 | C19 | H28 | H29 | 120.0° | 120.0° |
| C19 | C17 | C20 | H31 | 56.1° | 60.0° |
| C19 | C17 | C20 | H32 | 176.1° | 60.0° |
| C19 | C17 | C20 | H33 | 63.9° | 180.0° |
| C20 | C17 | O6 | C16 | 65.0° | 180.0° |
| C20 | C17 | C18 | H27 | 56.1° | 60.0° |
| C20 | C17 | C18 | H25 | 176.1° | 60.1° |
| C20 | C17 | C18 | H26 | 63.9° | 180.0° |
| C20 | C17 | C19 | H30 | 56.2° | 180.0° |
| C20 | C17 | C19 | H28 | 63.8° | 60.1° |
| C20 | C17 | C19 | H29 | 176.2° | 60.0° |
| C17 | C20 | H31 | H32 | 120.0° | 120.0° |
| C17 | C20 | H31 | H33 | 120.0° | 120.0° |
| C17 | C20 | H32 | H33 | 120.0° | 120.1° |
| C17 | O6 | C16 | O5 | 9.9° | 0.0° |
| C17 | O6 | C16 | N4 | 172.3° | 180.0° |
| O6 | C17 | C18 | H27 | 61.6° | 60.0° |
| O6 | C17 | C18 | H25 | 58.4° | 180.0° |
| O6 | C17 | C18 | H26 | 178.4° | 60.0° |
| O6 | C17 | C19 | H30 | 62.5° | 60.0° |
| O6 | C17 | C19 | H28 | 177.4° | 179.9° |
| O6 | C17 | C19 | H29 | 57.4° | 60.0° |
| O6 | C17 | C20 | H31 | 62.9° | 60.0° |
| O6 | C17 | C20 | H32 | 57.1° | 180.0° |
| O6 | C17 | C20 | H33 | 177.1° | 60.0° |
| O6 | C16 | O5 | N4 | 177.5° | 180.0° |
| O6 | C16 | N4 | C15 | 171.1° | 180.0° |
| O6 | C16 | N4 | H24 | 8.9° | 0.0° |
| O5 | C16 | N4 | C15 | 6.7° | 0.0° |
| O5 | C16 | N4 | H24 | 173.2° | 180.0° |
| C16 | N4 | C15 | H24 | 180.0° | 180.0° |
| C16 | N4 | C15 | C14 | 119.7° | 155.0° |
| C16 | N4 | C15 | C21 | 117.8° | 85.0° |
| C16 | N4 | C15 | H23 | 2.2° | 35.0° |
| N4 | C15 | C14 | C21 | 123.5° | 120.0° |
| N4 | C15 | C14 | H23 | 118.1° | 120.0° |
| N4 | C15 | C21 | H23 | 120.7° | 120.0° |
| N4 | C15 | C21 | C22 | 56.0° | 59.9° |
| N4 | C15 | C14 | N3 | 104.8° | 180.0° |
| N4 | C15 | C14 | O4 | 75.7° | 0.0° |
| N4 | C15 | C21 | C23 | 180.0° | 60.0° |
| N4 | C15 | C21 | H34 | 61.7° | 180.0° |
| C1 | C2 | C13 | C3 | 126.1° | 118.1° |
| C1 | C2 | C13 | H4 | 120.5° | 123.8° |
| C1 | C2 | C13 | N3 | 166.1° | 155.1° |
| C1 | C2 | C3 | H4 | 122.4° | 123.8° |
| C1 | C2 | C3 | C4 | 167.3° | 153.6° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.1° |
| C1 | C2 | C13 | H21 | 47.3° | 36.3° |
| C1 | C2 | C13 | H22 | 75.1° | 86.0° |
| C1 | C2 | C3 | H6 | 73.9° | 88.0° |
| C1 | C2 | C3 | H5 | 48.6° | 35.2° |
| C2 | C13 | N3 | H21 | 118.8° | 118.8° |
| C2 | C13 | N3 | H22 | 118.8° | 118.9° |
| C13 | C2 | C3 | H4 | 113.3° | 118.1° |
| C2 | C13 | N3 | C14 | 157.2° | 155.8° |
| C2 | C13 | N3 | C4 | 22.4° | 24.1° |
| C13 | C2 | C3 | C4 | 43.1° | 35.5° |
| C13 | C2 | C1 | H2 | 180.0° | 58.6° |
| C13 | C2 | C1 | H3 | 60.0° | 178.5° |
| C13 | C2 | C1 | H1 | 60.0° | 61.4° |
| C2 | C13 | H21 | H22 | 123.5° | 122.3° |
| C13 | C2 | C3 | H6 | 161.9° | 153.9° |
| C13 | C2 | C3 | H5 | 75.7° | 82.9° |
| C13 | N3 | C14 | C15 | 11.1° | 0.0° |
| N3 | C13 | C2 | C3 | 40.0° | 37.0° |
| C13 | N3 | C14 | C4 | 179.5° | 180.0° |
| C13 | N3 | C14 | O4 | 169.4° | 180.0° |
| C13 | N3 | C4 | C3 | 4.6° | 1.1° |
| C13 | N3 | C4 | C5 | 124.6° | 118.4° |
| N3 | C13 | H21 | H22 | 123.5° | 122.3° |
| N3 | C13 | C2 | H4 | 73.4° | 81.1° |
| C13 | N3 | C4 | H7 | 113.4° | 120.6° |
| C14 | C15 | C21 | H23 | 118.4° | 119.9° |
| C14 | C15 | C21 | C22 | 176.9° | 180.0° |
| C15 | C14 | N3 | O4 | 179.5° | 180.0° |
| C15 | C14 | N3 | C4 | 169.4° | 180.0° |
| C14 | C15 | C21 | C23 | 59.1° | 60.1° |
| C14 | C15 | C21 | H34 | 59.2° | 59.9° |
| C14 | C15 | N4 | H24 | 60.3° | 25.0° |
| C15 | C21 | C22 | C23 | 124.9° | 119.9° |
| C15 | C21 | C22 | H34 | 117.7° | 120.1° |
| C21 | C15 | C14 | N3 | 131.7° | 59.9° |
| C21 | C15 | C14 | O4 | 47.8° | 120.0° |
| C15 | C21 | C23 | H34 | 118.2° | 120.0° |
| C15 | C21 | C22 | H37 | 180.0° | 60.0° |
| C15 | C21 | C22 | H35 | 60.0° | 180.0° |
| C15 | C21 | C22 | H36 | 60.0° | 60.1° |
| C15 | C21 | C23 | H40 | 180.0° | 60.1° |
| C15 | C21 | C23 | H38 | 60.0° | 180.0° |
| C15 | C21 | C23 | H39 | 60.0° | 60.0° |
| C21 | C15 | N4 | H24 | 62.2° | 95.0° |
| C2 | C3 | C4 | N3 | 29.8° | 22.2° |
| C2 | C3 | C4 | H6 | 118.8° | 118.4° |
| C2 | C3 | C4 | H5 | 118.8° | 118.4° |
| C2 | C3 | C4 | C5 | 149.1° | 141.6° |
| C3 | C2 | C1 | H2 | 62.5° | 53.6° |
| C3 | C2 | C1 | H3 | 177.5° | 66.3° |
| C3 | C2 | C1 | H1 | 57.5° | 173.7° |
| C3 | C2 | C13 | H21 | 78.7° | 81.9° |
| C3 | C2 | C13 | H22 | 158.8° | 155.9° |
| C2 | C3 | H6 | H5 | 123.5° | 123.2° |
| C2 | C3 | C4 | H7 | 88.9° | 97.4° |
| C22 | C21 | C23 | H34 | 117.4° | 120.0° |
| C22 | C21 | C15 | H23 | 64.7° | 60.0° |
| C21 | C22 | H37 | H35 | 120.0° | 120.0° |
| C21 | C22 | H37 | H36 | 120.0° | 120.0° |
| C21 | C22 | H35 | H36 | 120.0° | 119.9° |
| C22 | C21 | C23 | H40 | 55.6° | 180.0° |
| C22 | C21 | C23 | H38 | 175.6° | 60.0° |
| C22 | C21 | C23 | H39 | 64.4° | 59.9° |
| C14 | N3 | C4 | C3 | 175.8° | 178.9° |
| C14 | N3 | C4 | C5 | 55.8° | 61.6° |
| C14 | N3 | C13 | H21 | 84.0° | 85.3° |
| C14 | N3 | C13 | H22 | 38.4° | 37.0° |
| N3 | C14 | C15 | H23 | 13.3° | 60.0° |
| C14 | N3 | C4 | H7 | 66.2° | 59.4° |
| O4 | C14 | N3 | C4 | 10.1° | 0.0° |
| O4 | C14 | C15 | H23 | 166.2° | 120.0° |
| N3 | C4 | C3 | C5 | 119.3° | 119.4° |
| N3 | C4 | C3 | H7 | 118.7° | 119.5° |
| N3 | C4 | C5 | H7 | 122.4° | 121.1° |
| N3 | C4 | C5 | O1 | 51.6° | 17.9° |
| N3 | C4 | C5 | N1 | 127.9° | 162.2° |
| C4 | N3 | C13 | H21 | 96.4° | 94.7° |
| C4 | N3 | C13 | H22 | 141.1° | 143.0° |
| N3 | C4 | C3 | H6 | 148.6° | 140.5° |
| N3 | C4 | C3 | H5 | 89.0° | 96.2° |
| C23 | C21 | C15 | H23 | 59.3° | 180.0° |
| C23 | C21 | C22 | H37 | 55.1° | 60.0° |
| C23 | C21 | C22 | H35 | 64.9° | 60.0° |
| C23 | C21 | C22 | H36 | 175.1° | 180.0° |
| C21 | C23 | H40 | H38 | 120.0° | 120.0° |
| C21 | C23 | H40 | H39 | 120.0° | 120.0° |
| C21 | C23 | H38 | H39 | 120.0° | 120.0° |
| C3 | C4 | C5 | H7 | 121.9° | 121.0° |
| C3 | C4 | C5 | O1 | 64.1° | 100.0° |
| C3 | C4 | C5 | N1 | 116.3° | 79.9° |
| C4 | C3 | C2 | H4 | 70.3° | 82.6° |
| C4 | C3 | H6 | H5 | 123.5° | 123.3° |
| C4 | C5 | O1 | N1 | 179.6° | 179.9° |
| C4 | C5 | N1 | C6 | 174.7° | 180.0° |
| C5 | C4 | C3 | H6 | 92.1° | 100.0° |
| C5 | C4 | C3 | H5 | 30.4° | 23.3° |
| C4 | C5 | N1 | H8 | 5.3° | 0.1° |
| O1 | C5 | N1 | C6 | 5.8° | 0.1° |
| O1 | C5 | C4 | H7 | 174.0° | 139.0° |
| O1 | C5 | N1 | H8 | 174.2° | 180.0° |
| C5 | N1 | C6 | H8 | 180.0° | 180.0° |
| C5 | N1 | C6 | C7 | 126.5° | 153.6° |
| C5 | N1 | C6 | C12 | 110.0° | 86.4° |
| N1 | C5 | C4 | H7 | 5.6° | 41.1° |
| C5 | N1 | C6 | H9 | 7.9° | 33.5° |
| N1 | C6 | C7 | C8 | 62.9° | 63.4° |
| N1 | C6 | C7 | C12 | 121.6° | 120.0° |
| N1 | C6 | C7 | H9 | 119.2° | 120.1° |
| N1 | C6 | C12 | H9 | 118.3° | 120.0° |
| N1 | C6 | C12 | O3 | 177.6° | 65.0° |
| N1 | C6 | C7 | H11 | 176.5° | 56.6° |
| N1 | C6 | C7 | H10 | 57.6° | 176.6° |
| N1 | C6 | C12 | H18 | 62.0° | 55.0° |
| N1 | C6 | C12 | H19 | 57.3° | 175.0° |
| C11 | C8 | C9 | C7 | 124.3° | 118.6° |
| C11 | C8 | C9 | H12 | 114.7° | 118.7° |
| C11 | C8 | C7 | H12 | 120.4° | 122.7° |
| C8 | C11 | O2 | N2 | 174.6° | 179.9° |
| C8 | C11 | N2 | C10 | 3.2° | 0.4° |
| C11 | C8 | C9 | C10 | 23.4° | 24.8° |
| C11 | C8 | C7 | C6 | 174.7° | 174.7° |
| C11 | C8 | C7 | H11 | 64.7° | 54.7° |
| C11 | C8 | C7 | H10 | 54.1° | 65.3° |
| C11 | C8 | C9 | H14 | 95.9° | 143.0° |
| C11 | C8 | C9 | H13 | 142.7° | 93.3° |
| C8 | C11 | N2 | H17 | 176.7° | 179.6° |
| C9 | C8 | C7 | H12 | 121.0° | 122.6° |
| C9 | C8 | C11 | O2 | 171.6° | 163.8° |
| C9 | C8 | C11 | N2 | 13.1° | 16.3° |
| C8 | C9 | C10 | N2 | 24.9° | 25.4° |
| C8 | C9 | C10 | H14 | 119.3° | 118.1° |
| C8 | C9 | C10 | H13 | 119.3° | 118.1° |
| C9 | C8 | C7 | C6 | 66.7° | 70.6° |
| C8 | C9 | C10 | H16 | 93.9° | 144.4° |
| C8 | C9 | C10 | H15 | 143.8° | 93.5° |
| C9 | C8 | C7 | H11 | 53.8° | 169.4° |
| C9 | C8 | C7 | H10 | 172.7° | 49.4° |
| C8 | C9 | H14 | H13 | 122.1° | 123.8° |
| C7 | C8 | C11 | O2 | 46.6° | 45.1° |
| C7 | C8 | C11 | N2 | 138.1° | 134.9° |
| C7 | C8 | C9 | C10 | 147.7° | 143.5° |
| C8 | C7 | C6 | H11 | 120.6° | 120.0° |
| C8 | C7 | C6 | H10 | 120.6° | 120.0° |
| C8 | C7 | C6 | C12 | 175.5° | 176.6° |
| C8 | C7 | C6 | H9 | 56.3° | 56.6° |
| C8 | C7 | H11 | H10 | 118.2° | 120.0° |
| C7 | C8 | C9 | H14 | 28.4° | 98.4° |
| C7 | C8 | C9 | H13 | 93.0° | 25.4° |
| O2 | C11 | N2 | C10 | 172.1° | 179.6° |
| O2 | C11 | C8 | H12 | 73.8° | 77.5° |
| O2 | C11 | N2 | H17 | 8.0° | 0.5° |
| C11 | N2 | C10 | H17 | 180.0° | 179.9° |
| C11 | N2 | C10 | C9 | 18.2° | 17.0° |
| C11 | N2 | C10 | H16 | 100.7° | 136.0° |
| C11 | N2 | C10 | H15 | 137.1° | 102.0° |
| N2 | C11 | C8 | H12 | 101.6° | 102.4° |
| N2 | C10 | C9 | H16 | 118.9° | 119.0° |
| N2 | C10 | C9 | H15 | 118.9° | 118.9° |
| N2 | C10 | H16 | H15 | 123.2° | 122.0° |
| N2 | C10 | C9 | H14 | 94.3° | 143.5° |
| N2 | C10 | C9 | H13 | 144.2° | 92.7° |
| C9 | C10 | H16 | H15 | 123.2° | 122.0° |
| C10 | C9 | C8 | H12 | 91.3° | 93.9° |
| C10 | C9 | H14 | H13 | 122.1° | 123.8° |
| C9 | C10 | N2 | H17 | 161.8° | 163.0° |
| C7 | C6 | C12 | H9 | 119.1° | 120.0° |
| C7 | C6 | C12 | O3 | 59.8° | 55.0° |
| C6 | C7 | H11 | H10 | 118.2° | 120.0° |
| C6 | C7 | C8 | H12 | 54.3° | 52.0° |
| C7 | C6 | N1 | H8 | 53.5° | 26.3° |
| C7 | C6 | C12 | H18 | 60.5° | 175.0° |
| C7 | C6 | C12 | H19 | 179.9° | 65.0° |
| C6 | C12 | O3 | H18 | 120.3° | 120.0° |
| C6 | C12 | O3 | H19 | 120.3° | 120.0° |
| C12 | C6 | C7 | H11 | 54.9° | 63.4° |
| C12 | C6 | C7 | H10 | 64.0° | 56.6° |
| C12 | C6 | N1 | H8 | 70.0° | 93.6° |
| C6 | C12 | H18 | H19 | 119.1° | 120.0° |
| C6 | C12 | O3 | H20 | 180.0° | 180.0° |
| O3 | C12 | C6 | H9 | 59.3° | 175.0° |
| O3 | C12 | H18 | H19 | 119.1° | 120.0° |
| H2 | C1 | H3 | H1 | 119.9° | 119.9° |
| H2 | C1 | C2 | H4 | 59.7° | 177.6° |
| H3 | C1 | C2 | H4 | 60.2° | 57.6° |
| H1 | C1 | C2 | H4 | 179.7° | 62.4° |
| H16 | C10 | C9 | H14 | 146.8° | 97.5° |
| H16 | C10 | C9 | H13 | 25.3° | 26.3° |
| H16 | C10 | N2 | H17 | 79.3° | 43.9° |
| H15 | C10 | C9 | H14 | 24.6° | 24.6° |
| H15 | C10 | C9 | H13 | 96.9° | 148.4° |
| H15 | C10 | N2 | H17 | 42.9° | 78.1° |
| H21 | C13 | C2 | H4 | 167.8° | 160.0° |
| H22 | C13 | C2 | H4 | 45.4° | 37.8° |
| H23 | C15 | C21 | H34 | 177.6° | 60.0° |
| H23 | C15 | N4 | H24 | 177.7° | 145.0° |
| H27 | C18 | H25 | H26 | 120.0° | 120.0° |
| H30 | C19 | H28 | H29 | 119.9° | 120.0° |
| H4 | C2 | C3 | H6 | 48.5° | 35.8° |
| H4 | C2 | C3 | H5 | 171.0° | 159.0° |
| H31 | C20 | H32 | H33 | 120.0° | 119.9° |
| H34 | C21 | C22 | H37 | 62.4° | 179.9° |
| H34 | C21 | C22 | H35 | 177.7° | 60.0° |
| H34 | C21 | C22 | H36 | 57.7° | 60.0° |
| H34 | C21 | C23 | H40 | 61.8° | 60.0° |
| H34 | C21 | C23 | H38 | 58.2° | 60.0° |
| H34 | C21 | C23 | H39 | 178.2° | 179.9° |
| H37 | C22 | H35 | H36 | 120.0° | 120.0° |
| H40 | C23 | H38 | H39 | 120.0° | 120.1° |
| H6 | C3 | C4 | H7 | 29.9° | 21.0° |
| H5 | C3 | C4 | H7 | 152.4° | 144.3° |
| H9 | C6 | C7 | H11 | 64.3° | 176.6° |
| H9 | C6 | C7 | H10 | 176.8° | 63.3° |
| H9 | C6 | N1 | H8 | 172.1° | 146.4° |
| H9 | C6 | C12 | H18 | 179.6° | 65.0° |
| H9 | C6 | C12 | H19 | 61.0° | 55.0° |
| H11 | C7 | C8 | H12 | 174.8° | 68.0° |
| H10 | C7 | C8 | H12 | 66.3° | 172.0° |
| H12 | C8 | C9 | H14 | 149.4° | 24.2° |
| H12 | C8 | C9 | H13 | 28.0° | 148.0° |
| H18 | C12 | O3 | H20 | 59.7° | 59.9° |
| H19 | C12 | O3 | H20 | 59.7° | 60.0° |
