90H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | N4 | sing | 1.46Å | 1.44Å | |
| N4 | C19 | sing | 1.35Å | 1.33Å | |
| C19 | O5 | doub | 1.21Å | 1.22Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| O4 | C18 | sing | 1.43Å | 1.42Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C7 | C5 | sing | 1.53Å | 1.52Å | |
| C17 | N3 | sing | 1.46Å | 1.46Å | |
| C17 | C21 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.55Å | 1.52Å | |
| C3 | C2 | sing | 1.54Å | 1.51Å | |
| N3 | C1 | sing | 1.35Å | 1.34Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C4 | C8 | sing | 1.54Å | 1.50Å | |
| C2 | N1 | sing | 1.48Å | 1.46Å | |
| C22 | C23 | sing | 1.55Å | 1.53Å | |
| C22 | C25 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | sing | 1.54Å | 1.52Å | |
| C8 | N1 | sing | 1.48Å | 1.47Å | |
| N1 | C9 | sing | 1.35Å | 1.34Å | |
| O6 | C25 | doub | 1.21Å | 1.22Å | |
| C25 | N5 | sing | 1.34Å | 1.34Å | |
| N5 | C24 | sing | 1.47Å | 1.46Å | |
| O3 | C9 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C13 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | N2 | sing | 1.46Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C14 | sing | 1.53Å | 1.54Å | |
| N2 | C15 | sing | 1.35Å | 1.34Å | |
| O2 | C15 | doub | 1.21Å | 1.22Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| F2 | C16 | sing | 1.40Å | 1.32Å | |
| F3 | C16 | sing | 1.40Å | 1.31Å | |
| C16 | F1 | sing | 1.40Å | 1.31Å | |
| 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 | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| N2 | H32 | sing | 0.97Å | 1.00Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| O4 | H34 | sing | 0.97Å | 0.95Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| N5 | H38 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | N4 | C19 | 124.2° | 120.0° |
| N4 | C20 | H16 | 109.5° | 109.4° |
| N4 | C20 | H17 | 109.5° | 109.5° |
| N4 | C20 | H18 | 109.5° | 109.5° |
| C20 | N4 | H35 | 117.9° | 120.0° |
| N4 | C19 | O5 | 125.3° | 120.0° |
| N4 | C19 | C18 | 114.8° | 120.0° |
| C19 | N4 | H35 | 117.9° | 120.0° |
| O5 | C19 | C18 | 119.9° | 120.0° |
| C19 | C18 | O4 | 104.2° | 109.5° |
| C19 | C18 | C17 | 113.0° | 109.5° |
| C19 | C18 | H33 | 110.7° | 109.5° |
| O4 | C18 | C17 | 106.4° | 109.5° |
| O4 | C18 | H33 | 112.2° | 109.5° |
| C18 | O4 | H34 | 109.5° | 114.0° |
| C18 | C17 | N3 | 107.3° | 109.5° |
| C18 | C17 | C21 | 115.2° | 109.5° |
| C18 | C17 | H15 | 108.2° | 109.4° |
| C17 | C18 | H33 | 110.2° | 109.5° |
| C7 | C5 | C3 | 112.9° | 117.5° |
| C7 | C5 | C4 | 116.2° | 117.4° |
| C7 | C5 | C6 | 113.6° | 115.5° |
| C5 | C7 | H6 | 109.5° | 109.5° |
| C5 | C7 | H7 | 109.5° | 109.5° |
| C5 | C7 | H8 | 109.5° | 109.5° |
| N3 | C17 | C21 | 108.4° | 109.5° |
| C17 | N3 | C1 | 124.9° | 120.0° |
| C17 | N3 | H1 | 117.6° | 120.0° |
| N3 | C17 | H15 | 109.3° | 109.5° |
| C17 | C21 | C22 | 112.4° | 109.5° |
| C21 | C17 | H15 | 108.4° | 109.4° |
| C17 | C21 | H19 | 108.7° | 109.4° |
| C17 | C21 | H20 | 108.7° | 109.5° |
| C5 | C3 | C4 | 59.2° | 59.7° |
| C5 | C3 | C2 | 119.5° | 118.1° |
| C3 | C5 | C4 | 60.5° | 60.7° |
| C3 | C5 | C6 | 123.4° | 117.3° |
| C5 | C3 | H25 | 118.4° | 119.6° |
| C4 | C3 | C2 | 108.0° | 104.9° |
| C3 | C4 | C5 | 60.3° | 59.5° |
| C3 | C4 | C8 | 108.3° | 104.9° |
| C3 | C4 | H2 | 118.6° | 121.8° |
| C4 | C3 | H25 | 118.3° | 121.8° |
| C3 | C2 | C1 | 110.7° | 110.4° |
| C3 | C2 | N1 | 104.8° | 104.6° |
| C3 | C2 | H24 | 110.1° | 110.5° |
| C2 | C3 | H25 | 118.4° | 118.2° |
| N3 | C1 | O1 | 124.7° | 120.0° |
| N3 | C1 | C2 | 115.2° | 120.0° |
| C1 | N3 | H1 | 117.5° | 120.0° |
| C21 | C22 | C23 | 117.0° | 110.5° |
| C21 | C22 | C25 | 112.7° | 110.5° |
| C22 | C21 | H19 | 108.7° | 109.5° |
| C22 | C21 | H20 | 108.7° | 109.5° |
| C21 | C22 | H21 | 107.6° | 110.4° |
| C4 | C5 | C6 | 120.3° | 117.5° |
| C5 | C4 | C8 | 117.3° | 118.1° |
| C5 | C4 | H2 | 119.0° | 120.4° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.4° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| O1 | C1 | C2 | 120.1° | 120.0° |
| C1 | C2 | N1 | 110.4° | 110.4° |
| C1 | C2 | H24 | 110.0° | 110.4° |
| C4 | C8 | N1 | 104.8° | 104.6° |
| C8 | C4 | H2 | 118.9° | 117.6° |
| C4 | C8 | H9 | 110.6° | 110.4° |
| C4 | C8 | H10 | 110.6° | 110.4° |
| C2 | N1 | C8 | 113.8° | 104.3° |
| C2 | N1 | C9 | 118.4° | 127.8° |
| N1 | C2 | H24 | 110.8° | 110.4° |
| C23 | C22 | C25 | 103.6° | 104.2° |
| C22 | C23 | C24 | 105.0° | 101.8° |
| C23 | C22 | H21 | 107.7° | 110.5° |
| C22 | C23 | H36 | 110.6° | 110.9° |
| C22 | C23 | H37 | 110.6° | 111.0° |
| C22 | C25 | O6 | 124.7° | 125.0° |
| C22 | C25 | N5 | 109.0° | 110.1° |
| C25 | C22 | H21 | 107.8° | 110.5° |
| C23 | C24 | N5 | 102.4° | 105.5° |
| C23 | C24 | H22 | 111.2° | 110.2° |
| C23 | C24 | H23 | 111.2° | 110.2° |
| C24 | C23 | H36 | 110.6° | 111.0° |
| C24 | C23 | H37 | 110.6° | 111.0° |
| C8 | N1 | C9 | 127.8° | 127.8° |
| N1 | C8 | H9 | 110.6° | 110.4° |
| N1 | C8 | H10 | 110.6° | 110.3° |
| N1 | C9 | O3 | 120.6° | 120.0° |
| N1 | C9 | C10 | 117.2° | 120.0° |
| O6 | C25 | N5 | 126.3° | 124.9° |
| C25 | N5 | C24 | 113.3° | 111.3° |
| C25 | N5 | H38 | 123.3° | 124.4° |
| N5 | C24 | H22 | 111.2° | 110.2° |
| N5 | C24 | H23 | 111.2° | 110.4° |
| C24 | N5 | H38 | 123.4° | 124.3° |
| O3 | C9 | C10 | 122.2° | 120.0° |
| C9 | C10 | C11 | 114.1° | 109.5° |
| C9 | C10 | N2 | 109.0° | 109.5° |
| C9 | C10 | H11 | 106.3° | 109.5° |
| C13 | C11 | C10 | 108.1° | 109.5° |
| C13 | C11 | C12 | 109.1° | 109.5° |
| C13 | C11 | C14 | 109.1° | 109.5° |
| C11 | C13 | H12 | 109.5° | 109.4° |
| C11 | C13 | H13 | 109.4° | 109.5° |
| C11 | C13 | H14 | 109.5° | 109.5° |
| C11 | C10 | N2 | 113.8° | 109.5° |
| C10 | C11 | C12 | 113.4° | 109.4° |
| C10 | C11 | C14 | 108.7° | 109.5° |
| C11 | C10 | H11 | 106.1° | 109.5° |
| C10 | N2 | C15 | 122.0° | 120.0° |
| N2 | C10 | H11 | 107.1° | 109.4° |
| C10 | N2 | H32 | 119.0° | 120.0° |
| C12 | C11 | C14 | 108.3° | 109.5° |
| C11 | C12 | H26 | 109.5° | 109.4° |
| C11 | C12 | H27 | 109.5° | 109.5° |
| C11 | C12 | H28 | 109.5° | 109.5° |
| C11 | C14 | H29 | 109.5° | 109.5° |
| C11 | C14 | H30 | 109.4° | 109.5° |
| C11 | C14 | H31 | 109.4° | 109.5° |
| N2 | C15 | O2 | 125.5° | 120.0° |
| N2 | C15 | C16 | 115.1° | 120.0° |
| C15 | N2 | H32 | 119.0° | 120.0° |
| O2 | C15 | C16 | 119.3° | 120.0° |
| C15 | C16 | F2 | 112.6° | 109.5° |
| C15 | C16 | F3 | 111.3° | 109.5° |
| C15 | C16 | F1 | 111.8° | 109.4° |
| F2 | C16 | F3 | 105.8° | 109.4° |
| F2 | C16 | F1 | 108.3° | 109.5° |
| F3 | C16 | F1 | 106.7° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.4° |
| H3 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.4° |
| H6 | C7 | H7 | 109.4° | 109.5° |
| H6 | C7 | H8 | 109.5° | 109.4° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H9 | C8 | H10 | 109.4° | 110.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H12 | C13 | H14 | 109.5° | 109.4° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.4° | 109.4° |
| H16 | C20 | H18 | 109.4° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.5° | 109.4° |
| H22 | C24 | H23 | 109.4° | 110.2° |
| H26 | C12 | H27 | 109.5° | 109.5° |
| H26 | C12 | H28 | 109.5° | 109.5° |
| H27 | C12 | H28 | 109.4° | 109.5° |
| H29 | C14 | H30 | 109.5° | 109.5° |
| H29 | C14 | H31 | 109.5° | 109.5° |
| H30 | C14 | H31 | 109.5° | 109.4° |
| H36 | C23 | H37 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | N4 | C19 | H35 | 180.0° | 180.0° |
| C20 | N4 | C19 | O5 | 0.5° | 5.2° |
| C20 | N4 | C19 | C18 | 179.3° | 174.8° |
| N4 | C20 | H16 | H17 | 120.0° | 119.9° |
| N4 | C20 | H16 | H18 | 120.0° | 120.0° |
| N4 | C20 | H17 | H18 | 120.0° | 120.0° |
| N4 | C19 | O5 | C18 | 178.7° | 180.0° |
| N4 | C19 | C18 | O4 | 3.8° | 165.5° |
| N4 | C19 | C18 | C17 | 118.9° | 74.5° |
| C19 | N4 | C20 | H16 | 180.0° | 60.0° |
| C19 | N4 | C20 | H17 | 60.0° | 59.9° |
| C19 | N4 | C20 | H18 | 60.0° | 180.0° |
| N4 | C19 | C18 | H33 | 116.9° | 45.5° |
| O5 | C19 | C18 | O4 | 177.3° | 14.5° |
| O5 | C19 | C18 | C17 | 62.2° | 105.5° |
| O5 | C19 | C18 | H33 | 61.9° | 134.5° |
| O5 | C19 | N4 | H35 | 179.5° | 174.8° |
| C19 | C18 | O4 | C17 | 119.7° | 120.0° |
| C19 | C18 | O4 | H33 | 119.7° | 120.0° |
| C19 | C18 | C17 | H33 | 124.4° | 120.0° |
| C19 | C18 | C17 | N3 | 163.5° | 174.8° |
| C19 | C18 | C17 | C21 | 75.7° | 65.2° |
| C19 | C18 | C17 | H15 | 45.7° | 54.7° |
| C19 | C18 | O4 | H34 | 180.0° | 180.0° |
| C18 | C19 | N4 | H35 | 0.7° | 5.2° |
| O4 | C18 | C17 | H33 | 121.8° | 120.0° |
| O4 | C18 | C17 | N3 | 49.7° | 54.7° |
| O4 | C18 | C17 | C21 | 170.5° | 174.8° |
| O4 | C18 | C17 | H15 | 68.0° | 65.3° |
| C18 | C17 | N3 | C21 | 125.0° | 120.0° |
| C18 | C17 | N3 | H15 | 117.0° | 120.0° |
| C18 | C17 | C21 | H15 | 121.3° | 120.0° |
| C18 | C17 | N3 | C1 | 111.2° | 91.3° |
| C18 | C17 | C21 | C22 | 175.0° | 177.9° |
| C18 | C17 | N3 | H1 | 68.8° | 88.6° |
| C18 | C17 | C21 | H19 | 64.6° | 62.0° |
| C18 | C17 | C21 | H20 | 54.6° | 57.9° |
| C17 | C18 | O4 | H34 | 60.3° | 60.0° |
| C7 | C5 | C3 | C4 | 108.1° | 107.7° |
| C7 | C5 | C3 | C6 | 143.2° | 144.5° |
| C7 | C5 | C3 | C2 | 157.5° | 160.9° |
| C7 | C5 | C4 | C6 | 143.5° | 144.8° |
| C7 | C5 | C4 | C8 | 160.9° | 160.8° |
| C7 | C5 | C4 | H2 | 5.5° | 3.6° |
| C7 | C5 | C6 | H3 | 180.0° | 34.0° |
| C7 | C5 | C6 | H4 | 60.0° | 86.0° |
| C7 | C5 | C6 | H5 | 60.0° | 154.1° |
| C5 | C7 | H6 | H7 | 120.0° | 120.1° |
| C5 | C7 | H6 | H8 | 120.0° | 120.0° |
| C5 | C7 | H7 | H8 | 120.0° | 120.0° |
| C7 | C5 | C3 | H25 | 0.3° | 4.1° |
| N3 | C17 | C21 | H15 | 118.5° | 120.0° |
| C17 | N3 | C1 | H1 | 180.0° | 179.9° |
| N3 | C17 | C21 | C22 | 64.9° | 62.0° |
| C17 | N3 | C1 | O1 | 6.6° | 0.1° |
| C17 | N3 | C1 | C2 | 174.7° | 180.0° |
| N3 | C17 | C21 | H19 | 55.6° | 58.0° |
| N3 | C17 | C21 | H20 | 174.7° | 177.9° |
| N3 | C17 | C18 | H33 | 72.1° | 65.2° |
| C21 | C17 | N3 | C1 | 123.8° | 148.7° |
| C17 | C21 | C22 | H19 | 120.5° | 120.0° |
| C17 | C21 | C22 | H20 | 120.4° | 120.0° |
| C17 | C21 | C22 | C23 | 61.9° | 64.0° |
| C17 | C21 | C22 | C25 | 178.1° | 178.8° |
| C21 | C17 | N3 | H1 | 56.2° | 31.4° |
| C17 | C21 | H19 | H20 | 118.6° | 119.9° |
| C17 | C21 | C22 | H21 | 59.4° | 58.6° |
| C21 | C17 | C18 | H33 | 48.7° | 54.8° |
| C5 | C3 | C4 | C2 | 114.1° | 114.2° |
| C5 | C3 | C4 | H25 | 107.9° | 108.1° |
| C5 | C3 | C2 | H25 | 157.8° | 157.1° |
| C3 | C5 | C4 | C6 | 113.7° | 107.5° |
| C5 | C3 | C2 | C1 | 178.3° | 158.1° |
| C5 | C3 | C4 | C8 | 111.6° | 114.1° |
| C5 | C3 | C2 | N1 | 59.3° | 39.3° |
| C5 | C3 | C4 | H2 | 108.9° | 109.0° |
| C3 | C5 | C6 | H3 | 37.1° | 179.2° |
| C3 | C5 | C6 | H4 | 157.0° | 59.2° |
| C3 | C5 | C6 | H5 | 83.0° | 60.7° |
| C3 | C5 | C7 | H6 | 180.0° | 60.9° |
| C3 | C5 | C7 | H7 | 60.0° | 59.2° |
| C3 | C5 | C7 | H8 | 60.0° | 179.1° |
| C5 | C3 | C2 | H24 | 59.9° | 79.5° |
| C4 | C3 | C2 | H25 | 137.9° | 139.6° |
| C4 | C3 | C2 | C1 | 114.0° | 94.8° |
| C3 | C4 | C8 | H2 | 139.3° | 139.0° |
| C4 | C3 | C2 | N1 | 5.0° | 24.0° |
| C3 | C4 | C8 | N1 | 1.0° | 23.9° |
| C3 | C4 | C8 | H9 | 118.3° | 142.7° |
| C3 | C4 | C8 | H10 | 120.3° | 94.8° |
| C4 | C3 | C2 | H24 | 124.2° | 142.8° |
| C3 | C2 | C1 | N3 | 105.6° | 83.4° |
| C2 | C3 | C5 | C6 | 14.3° | 16.4° |
| C3 | C2 | C1 | O1 | 75.6° | 96.6° |
| C3 | C2 | C1 | N1 | 115.5° | 115.2° |
| C3 | C2 | C1 | H24 | 121.8° | 122.4° |
| C2 | C3 | C4 | C8 | 2.5° | 0.1° |
| C3 | C2 | N1 | H24 | 118.7° | 118.8° |
| C3 | C2 | N1 | C8 | 5.9° | 39.8° |
| C3 | C2 | N1 | C9 | 172.2° | 140.3° |
| C2 | C3 | C4 | H2 | 136.9° | 136.8° |
| N3 | C1 | O1 | C2 | 178.7° | 180.0° |
| N3 | C1 | C2 | N1 | 138.9° | 161.4° |
| C1 | N3 | C17 | H15 | 5.8° | 28.7° |
| N3 | C1 | C2 | H24 | 16.2° | 39.0° |
| C21 | C22 | C23 | C25 | 124.7° | 118.7° |
| C21 | C22 | C23 | H21 | 121.3° | 122.6° |
| C21 | C22 | C25 | H21 | 118.6° | 122.5° |
| C21 | C22 | C23 | C24 | 144.7° | 143.4° |
| C21 | C22 | C25 | O6 | 47.5° | 45.0° |
| C21 | C22 | C25 | N5 | 134.1° | 134.9° |
| C22 | C21 | C17 | H15 | 53.7° | 58.0° |
| C22 | C21 | H19 | H20 | 118.6° | 120.0° |
| C21 | C22 | C23 | H36 | 25.4° | 25.3° |
| C21 | C22 | C23 | H37 | 96.0° | 98.4° |
| C5 | C4 | C8 | H2 | 155.4° | 157.9° |
| C5 | C4 | C8 | N1 | 64.3° | 39.2° |
| C4 | C5 | C6 | H3 | 35.6° | 111.4° |
| C4 | C5 | C6 | H4 | 84.4° | 128.6° |
| C4 | C5 | C6 | H5 | 155.7° | 8.7° |
| C4 | C5 | C7 | H6 | 112.8° | 8.6° |
| C4 | C5 | C7 | H7 | 7.2° | 128.6° |
| C4 | C5 | C7 | H8 | 127.2° | 111.4° |
| C5 | C4 | C8 | H9 | 176.4° | 79.7° |
| C5 | C4 | C8 | H10 | 54.9° | 157.8° |
| C6 | C5 | C4 | C8 | 17.3° | 16.1° |
| C6 | C5 | C4 | H2 | 138.0° | 141.2° |
| 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 | 33.1° | 154.0° |
| C6 | C5 | C7 | H7 | 153.1° | 85.9° |
| C6 | C5 | C7 | H8 | 86.9° | 34.0° |
| C6 | C5 | C3 | H25 | 143.5° | 140.4° |
| O1 | C1 | C2 | N1 | 39.9° | 18.5° |
| O1 | C1 | N3 | H1 | 173.4° | 180.0° |
| O1 | C1 | C2 | H24 | 162.6° | 140.9° |
| C1 | C2 | N1 | H24 | 122.1° | 122.4° |
| C1 | C2 | N1 | C8 | 113.2° | 78.9° |
| C1 | C2 | N1 | C9 | 68.6° | 100.9° |
| C2 | C1 | N3 | H1 | 5.3° | 0.1° |
| C1 | C2 | C3 | H25 | 23.9° | 44.8° |
| C4 | C8 | N1 | C2 | 4.4° | 39.8° |
| C4 | C8 | N1 | H9 | 119.3° | 118.8° |
| C4 | C8 | N1 | H10 | 119.3° | 118.7° |
| C4 | C8 | N1 | C9 | 173.5° | 140.4° |
| C4 | C8 | H9 | H10 | 122.1° | 122.4° |
| C8 | C4 | C3 | H25 | 140.5° | 137.8° |
| C2 | N1 | C8 | C9 | 178.0° | 179.8° |
| C2 | N1 | C9 | O3 | 5.5° | 4.8° |
| C2 | N1 | C9 | C10 | 174.9° | 175.1° |
| C2 | N1 | C8 | H9 | 114.8° | 158.6° |
| C2 | N1 | C8 | H10 | 123.7° | 78.9° |
| N1 | C2 | C3 | H25 | 142.9° | 163.6° |
| C23 | C22 | C25 | H21 | 113.9° | 118.7° |
| C22 | C23 | C24 | H36 | 119.3° | 118.1° |
| C22 | C23 | C24 | H37 | 119.3° | 118.1° |
| C23 | C22 | C25 | O6 | 174.9° | 163.8° |
| C23 | C22 | C25 | N5 | 6.6° | 16.2° |
| C22 | C23 | C24 | N5 | 25.5° | 25.4° |
| C23 | C22 | C21 | H19 | 177.6° | 176.0° |
| C23 | C22 | C21 | H20 | 58.5° | 56.0° |
| C22 | C23 | C24 | H22 | 144.4° | 144.4° |
| C22 | C23 | C24 | H23 | 93.4° | 93.7° |
| C22 | C23 | H36 | H37 | 122.1° | 123.8° |
| C25 | C22 | C23 | C24 | 20.0° | 24.8° |
| C22 | C25 | O6 | N5 | 178.1° | 180.0° |
| C22 | C25 | N5 | C24 | 10.7° | 0.5° |
| C25 | C22 | C21 | H19 | 57.6° | 61.2° |
| C25 | C22 | C21 | H20 | 61.5° | 58.8° |
| C25 | C22 | C23 | H36 | 99.3° | 93.4° |
| C25 | C22 | C23 | H37 | 139.4° | 142.9° |
| C22 | C25 | N5 | H38 | 169.3° | 179.6° |
| C23 | C24 | N5 | C25 | 23.1° | 17.1° |
| C23 | C24 | N5 | H22 | 118.9° | 119.0° |
| C23 | C24 | N5 | H23 | 118.9° | 119.1° |
| C24 | C23 | C22 | H21 | 94.0° | 94.0° |
| C23 | C24 | H22 | H23 | 123.3° | 121.9° |
| C24 | C23 | H36 | H37 | 122.1° | 123.9° |
| C23 | C24 | N5 | H38 | 156.9° | 163.0° |
| C8 | N1 | C9 | O3 | 172.5° | 175.5° |
| C8 | N1 | C9 | C10 | 7.2° | 4.7° |
| N1 | C8 | C4 | H2 | 140.3° | 163.0° |
| N1 | C8 | H9 | H10 | 122.2° | 122.4° |
| C8 | N1 | C2 | H24 | 124.6° | 158.7° |
| N1 | C9 | O3 | C10 | 179.7° | 179.9° |
| N1 | C9 | C10 | C11 | 113.8° | 89.2° |
| N1 | C9 | C10 | N2 | 117.8° | 150.8° |
| C9 | N1 | C8 | H9 | 67.2° | 21.6° |
| C9 | N1 | C8 | H10 | 54.3° | 100.9° |
| N1 | C9 | C10 | H11 | 2.7° | 30.9° |
| C9 | N1 | C2 | H24 | 53.6° | 21.5° |
| O6 | C25 | N5 | C24 | 167.7° | 179.6° |
| O6 | C25 | C22 | H21 | 71.1° | 77.5° |
| O6 | C25 | N5 | H38 | 12.3° | 0.3° |
| C25 | N5 | C24 | H38 | 180.0° | 179.9° |
| N5 | C25 | C22 | H21 | 107.3° | 102.5° |
| C25 | N5 | C24 | H22 | 142.0° | 136.1° |
| C25 | N5 | C24 | H23 | 95.7° | 102.0° |
| N5 | C24 | H22 | H23 | 123.3° | 122.0° |
| N5 | C24 | C23 | H36 | 93.8° | 92.7° |
| N5 | C24 | C23 | H37 | 144.8° | 143.5° |
| O3 | C9 | C10 | C11 | 66.5° | 90.7° |
| O3 | C9 | C10 | N2 | 61.9° | 29.3° |
| O3 | C9 | C10 | H11 | 176.9° | 149.2° |
| C9 | C10 | C11 | C13 | 58.6° | 59.2° |
| C9 | C10 | C11 | N2 | 125.9° | 120.0° |
| C9 | C10 | C11 | H11 | 116.6° | 120.1° |
| C9 | C10 | N2 | H11 | 114.5° | 119.9° |
| C9 | C10 | C11 | C12 | 62.5° | 60.8° |
| C9 | C10 | C11 | C14 | 176.9° | 179.2° |
| C9 | C10 | N2 | C15 | 118.3° | 155.0° |
| C9 | C10 | N2 | H32 | 61.7° | 25.0° |
| C13 | C11 | C10 | C12 | 121.2° | 120.0° |
| C13 | C11 | C10 | C14 | 118.3° | 120.0° |
| C13 | C11 | C10 | N2 | 175.5° | 60.8° |
| C13 | C11 | C12 | C14 | 118.6° | 120.0° |
| C13 | C11 | C10 | H11 | 58.0° | 179.3° |
| 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 | H26 | 180.0° | 178.4° |
| C13 | C11 | C12 | H27 | 60.0° | 58.4° |
| C13 | C11 | C12 | H28 | 60.0° | 61.6° |
| C13 | C11 | C14 | H29 | 180.0° | 60.0° |
| C13 | C11 | C14 | H30 | 60.0° | 60.0° |
| C13 | C11 | C14 | H31 | 60.0° | 180.0° |
| C11 | C10 | N2 | H11 | 116.9° | 120.0° |
| C10 | C11 | C12 | C14 | 120.7° | 120.0° |
| C11 | C10 | N2 | C15 | 113.2° | 85.0° |
| C10 | C11 | C13 | H12 | 180.0° | 59.9° |
| C10 | C11 | C13 | H13 | 60.0° | 180.0° |
| C10 | C11 | C13 | H14 | 60.0° | 60.0° |
| C10 | C11 | C12 | H26 | 59.4° | 61.7° |
| C10 | C11 | C12 | H27 | 60.6° | 178.4° |
| C10 | C11 | C12 | H28 | 179.4° | 58.3° |
| C10 | C11 | C14 | H29 | 62.3° | 60.0° |
| C10 | C11 | C14 | H30 | 177.7° | 180.0° |
| C10 | C11 | C14 | H31 | 57.7° | 60.0° |
| C11 | C10 | N2 | H32 | 66.8° | 95.0° |
| N2 | C10 | C11 | C12 | 63.4° | 179.2° |
| N2 | C10 | C11 | C14 | 57.1° | 59.2° |
| C10 | N2 | C15 | H32 | 180.0° | 180.0° |
| C10 | N2 | C15 | O2 | 1.3° | 0.0° |
| C10 | N2 | C15 | C16 | 176.7° | 180.0° |
| C12 | C11 | C10 | H11 | 179.2° | 59.3° |
| C12 | C11 | C13 | H12 | 56.2° | 60.0° |
| C12 | C11 | C13 | H13 | 63.8° | 60.0° |
| C12 | C11 | C13 | H14 | 176.2° | 179.9° |
| C11 | C12 | H26 | H27 | 120.0° | 120.0° |
| C11 | C12 | H26 | H28 | 120.0° | 120.0° |
| C11 | C12 | H27 | H28 | 120.0° | 120.1° |
| C12 | C11 | C14 | H29 | 61.3° | 180.0° |
| C12 | C11 | C14 | H30 | 58.7° | 60.0° |
| C12 | C11 | C14 | H31 | 178.7° | 59.9° |
| C14 | C11 | C10 | H11 | 60.3° | 60.7° |
| C14 | C11 | C13 | H12 | 61.9° | 180.0° |
| C14 | C11 | C13 | H13 | 178.1° | 60.0° |
| C14 | C11 | C13 | H14 | 58.1° | 60.0° |
| C14 | C11 | C12 | H26 | 61.3° | 58.3° |
| C14 | C11 | C12 | H27 | 178.6° | 61.6° |
| C14 | C11 | C12 | H28 | 58.7° | 178.3° |
| C11 | C14 | H29 | H30 | 120.0° | 120.0° |
| C11 | C14 | H29 | H31 | 120.0° | 120.1° |
| C11 | C14 | H30 | H31 | 119.9° | 120.0° |
| N2 | C15 | O2 | C16 | 177.9° | 180.0° |
| N2 | C15 | C16 | F2 | 139.1° | 60.0° |
| N2 | C15 | C16 | F3 | 20.5° | 60.0° |
| N2 | C15 | C16 | F1 | 98.7° | 180.0° |
| C15 | N2 | C10 | H11 | 3.7° | 35.0° |
| O2 | C15 | C16 | F2 | 39.0° | 120.0° |
| O2 | C15 | C16 | F3 | 157.6° | 120.0° |
| O2 | C15 | C16 | F1 | 83.2° | 0.0° |
| O2 | C15 | N2 | H32 | 178.7° | 180.0° |
| C15 | C16 | F2 | F3 | 121.8° | 120.0° |
| C15 | C16 | F2 | F1 | 124.1° | 120.0° |
| C15 | C16 | F3 | F1 | 122.2° | 120.0° |
| C16 | C15 | N2 | H32 | 3.3° | 0.0° |
| F2 | C16 | F3 | F1 | 115.2° | 120.0° |
| H1 | N3 | C17 | H15 | 174.2° | 151.4° |
| H2 | C4 | C8 | H9 | 21.0° | 78.2° |
| H2 | C4 | C8 | H10 | 100.4° | 44.3° |
| H2 | C4 | C3 | H25 | 1.1° | 1.0° |
| H3 | C6 | H4 | H5 | 120.0° | 120.0° |
| H6 | C7 | H7 | H8 | 120.0° | 119.9° |
| H11 | C10 | N2 | H32 | 176.3° | 145.0° |
| H12 | C13 | H13 | H14 | 120.0° | 120.0° |
| H15 | C17 | C21 | H19 | 174.1° | 178.0° |
| H15 | C17 | C21 | H20 | 66.7° | 62.1° |
| H15 | C17 | C18 | H33 | 170.1° | 174.7° |
| H16 | C20 | H17 | H18 | 120.0° | 120.0° |
| H16 | C20 | N4 | H35 | 0.0° | 120.0° |
| H17 | C20 | N4 | H35 | 120.0° | 120.1° |
| H18 | C20 | N4 | H35 | 120.0° | 0.0° |
| H19 | C21 | C22 | H21 | 61.1° | 61.4° |
| H20 | C21 | C22 | H21 | 179.8° | 178.6° |
| H21 | C22 | C23 | H36 | 146.7° | 147.9° |
| H21 | C22 | C23 | H37 | 25.3° | 24.1° |
| H22 | C24 | C23 | H36 | 25.1° | 26.3° |
| H22 | C24 | C23 | H37 | 96.3° | 97.5° |
| H22 | C24 | N5 | H38 | 38.0° | 44.0° |
| H23 | C24 | C23 | H36 | 147.4° | 148.2° |
| H23 | C24 | C23 | H37 | 26.0° | 24.4° |
| H23 | C24 | N5 | H38 | 84.3° | 77.9° |
| H24 | C2 | C3 | H25 | 97.9° | 77.6° |
| H26 | C12 | H27 | H28 | 120.0° | 120.0° |
| H29 | C14 | H30 | H31 | 120.0° | 120.0° |
| H33 | C18 | O4 | H34 | 60.3° | 60.0° |
