8Q2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | S1 | doub | 1.42Å | 1.52Å | |
| N2 | C22 | doub | 1.32Å | 1.39Å | Aromatic |
| N2 | C1 | sing | 1.33Å | 1.34Å | Aromatic |
| C22 | N1 | sing | 1.32Å | 1.39Å | Aromatic |
| O6 | C21 | sing | 1.44Å | 1.42Å | |
| O6 | C18 | sing | 1.44Å | 1.45Å | |
| O8 | C20 | sing | 1.43Å | 1.42Å | |
| C21 | N5 | sing | 1.47Å | 1.48Å | |
| C21 | C20 | sing | 1.54Å | 1.53Å | |
| O2 | C16 | doub | 1.21Å | 1.22Å | |
| O5 | S1 | sing | 1.52Å | 1.52Å | |
| O5 | C17 | sing | 1.43Å | 1.42Å | |
| C1 | N5 | sing | 1.37Å | 1.33Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.35Å | Aromatic |
| N1 | C3 | doub | 1.33Å | 1.34Å | Aromatic |
| S1 | O3 | doub | 1.42Å | 1.51Å | |
| S1 | N4 | sing | 1.66Å | 1.64Å | |
| N5 | C4 | sing | 1.36Å | 1.34Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.55Å | 1.52Å | |
| C20 | C19 | sing | 1.54Å | 1.52Å | |
| C16 | N4 | sing | 1.35Å | 1.33Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.41Å | 1.35Å | Aromatic |
| C2 | N6 | sing | 1.35Å | 1.35Å | Aromatic |
| C3 | N7 | sing | 1.38Å | 1.35Å | |
| C4 | N6 | doub | 1.30Å | 1.34Å | Aromatic |
| C19 | O7 | sing | 1.43Å | 1.42Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.51Å | 1.40Å | |
| C14 | N3 | sing | 1.47Å | 1.48Å | |
| C13 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | O1 | sing | 1.36Å | 1.36Å | |
| O1 | C7 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | trip | 1.17Å | 1.16Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.05Å | 1.06Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| N3 | H10 | sing | 1.01Å | 1.00Å | |
| N3 | H11 | sing | 1.01Å | 1.00Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| O7 | H20 | sing | 0.97Å | 0.95Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| O8 | H22 | sing | 0.97Å | 0.95Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| N7 | H25 | sing | 0.97Å | 1.00Å | |
| N7 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | S1 | O5 | 107.9° | 106.5° |
| O4 | S1 | O3 | 112.2° | 123.2° |
| O4 | S1 | N4 | 110.8° | 106.4° |
| C22 | N2 | C1 | 119.6° | 120.7° |
| N2 | C22 | N1 | 118.3° | 122.4° |
| N2 | C22 | H24 | 120.9° | 118.8° |
| N2 | C1 | N5 | 129.5° | 135.0° |
| N2 | C1 | C2 | 121.3° | 119.1° |
| C22 | N1 | C3 | 120.0° | 121.2° |
| N1 | C22 | H24 | 120.9° | 118.8° |
| C21 | O6 | C18 | 109.8° | 105.3° |
| O6 | C21 | N5 | 107.5° | 110.4° |
| O6 | C21 | C20 | 107.4° | 104.8° |
| O6 | C21 | H23 | 110.4° | 110.4° |
| O6 | C18 | C17 | 110.2° | 110.4° |
| O6 | C18 | C19 | 104.1° | 104.8° |
| O6 | C18 | H18 | 109.5° | 110.5° |
| O8 | C20 | C21 | 108.5° | 110.6° |
| O8 | C20 | C19 | 109.9° | 110.5° |
| O8 | C20 | H21 | 113.4° | 110.4° |
| C20 | O8 | H22 | 109.5° | 114.0° |
| N5 | C21 | C20 | 113.4° | 110.4° |
| C21 | N5 | C1 | 124.3° | 126.2° |
| C21 | N5 | C4 | 128.8° | 126.3° |
| N5 | C21 | H23 | 109.4° | 110.3° |
| C21 | C20 | C19 | 100.6° | 104.1° |
| C21 | C20 | H21 | 111.7° | 110.5° |
| C20 | C21 | H23 | 108.8° | 110.5° |
| O2 | C16 | N4 | 123.4° | 120.0° |
| O2 | C16 | C15 | 121.1° | 120.0° |
| S1 | O5 | C17 | 120.2° | 114.0° |
| O5 | S1 | O3 | 110.4° | 106.4° |
| O5 | S1 | N4 | 110.4° | 107.2° |
| O5 | C17 | C18 | 110.7° | 109.5° |
| O5 | C17 | H16 | 109.2° | 109.4° |
| O5 | C17 | H17 | 109.2° | 109.5° |
| N5 | C1 | C2 | 109.2° | 106.0° |
| C1 | N5 | C4 | 106.9° | 107.5° |
| C1 | C2 | C3 | 119.7° | 118.2° |
| C1 | C2 | N6 | 107.2° | 107.2° |
| N1 | C3 | C2 | 121.2° | 118.4° |
| N1 | C3 | N7 | 119.5° | 120.8° |
| O3 | S1 | N4 | 105.3° | 106.4° |
| S1 | N4 | C16 | 117.8° | 120.0° |
| S1 | N4 | H15 | 121.1° | 120.0° |
| N5 | C4 | N6 | 109.2° | 110.0° |
| N5 | C4 | H1 | 125.4° | 125.0° |
| C17 | C18 | C19 | 115.4° | 110.4° |
| C18 | C17 | H16 | 109.2° | 109.5° |
| C18 | C17 | H17 | 109.2° | 109.5° |
| C17 | C18 | H18 | 108.8° | 110.4° |
| C18 | C19 | C20 | 102.6° | 104.1° |
| C18 | C19 | O7 | 112.5° | 110.5° |
| C19 | C18 | H18 | 108.6° | 110.3° |
| C18 | C19 | H19 | 108.4° | 110.5° |
| C20 | C19 | O7 | 114.7° | 110.6° |
| C20 | C19 | H19 | 108.4° | 110.6° |
| C19 | C20 | H21 | 111.9° | 110.5° |
| N4 | C16 | C15 | 115.5° | 120.0° |
| C16 | N4 | H15 | 121.1° | 120.0° |
| C16 | C15 | C14 | 112.5° | 109.5° |
| C16 | C15 | H13 | 108.7° | 109.5° |
| C16 | C15 | H14 | 108.7° | 109.5° |
| C3 | C2 | N6 | 133.0° | 134.7° |
| C2 | C3 | N7 | 119.3° | 120.8° |
| C2 | N6 | C4 | 107.5° | 109.4° |
| C3 | N7 | H25 | 109.5° | 120.0° |
| C3 | N7 | H26 | 109.5° | 120.1° |
| N6 | C4 | H1 | 125.4° | 125.0° |
| O7 | C19 | H19 | 109.8° | 110.4° |
| C19 | O7 | H20 | 109.5° | 114.0° |
| C15 | C14 | C13 | 109.6° | 109.5° |
| C15 | C14 | N3 | 113.0° | 109.4° |
| C15 | C14 | H9 | 107.3° | 109.5° |
| C14 | C15 | H13 | 108.7° | 109.5° |
| C14 | C15 | H14 | 108.7° | 109.5° |
| C13 | C14 | N3 | 110.1° | 109.4° |
| C14 | C13 | C10 | 117.8° | 120.0° |
| C14 | C13 | C12 | 123.0° | 119.9° |
| C13 | C14 | H9 | 108.9° | 109.4° |
| N3 | C14 | H9 | 107.8° | 109.5° |
| C14 | N3 | H10 | 109.5° | 111.0° |
| C14 | N3 | H11 | 109.4° | 111.0° |
| C10 | C13 | C12 | 119.2° | 120.1° |
| C13 | C10 | C9 | 120.0° | 120.1° |
| C13 | C10 | H6 | 120.0° | 120.0° |
| C13 | C12 | C11 | 120.9° | 120.1° |
| C13 | C12 | H8 | 119.6° | 120.0° |
| C10 | C9 | C8 | 121.3° | 120.0° |
| C10 | C9 | H5 | 119.4° | 120.0° |
| C9 | C10 | H6 | 120.0° | 119.9° |
| C12 | C11 | C8 | 118.6° | 119.9° |
| C12 | C11 | H7 | 120.7° | 120.0° |
| C11 | C12 | H8 | 119.6° | 120.0° |
| C9 | C8 | C11 | 120.0° | 119.9° |
| C9 | C8 | O1 | 115.7° | 120.0° |
| C8 | C9 | H5 | 119.3° | 120.0° |
| C11 | C8 | O1 | 124.4° | 120.1° |
| C8 | C11 | H7 | 120.7° | 120.1° |
| C8 | O1 | C7 | 117.8° | 117.0° |
| O1 | C7 | C6 | 105.5° | 109.5° |
| O1 | C7 | H3 | 110.5° | 109.5° |
| O1 | C7 | H4 | 110.5° | 109.5° |
| C7 | C6 | C5 | 178.5° | 179.9° |
| C6 | C7 | H3 | 110.5° | 109.4° |
| C6 | C7 | H4 | 110.5° | 109.4° |
| C6 | C5 | H2 | 180.0° | 179.9° |
| H3 | C7 | H4 | 109.4° | 109.5° |
| H10 | N3 | H11 | 109.5° | 111.0° |
| H13 | C15 | H14 | 109.5° | 109.4° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H25 | N7 | H26 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | S1 | O5 | O3 | 122.9° | 133.0° |
| O4 | S1 | O5 | N4 | 121.1° | 113.5° |
| O4 | S1 | O5 | C17 | 173.3° | 171.5° |
| O4 | S1 | O3 | N4 | 120.5° | 122.9° |
| O4 | S1 | N4 | C16 | 63.1° | 48.6° |
| O4 | S1 | N4 | H15 | 116.9° | 131.4° |
| N2 | C22 | N1 | H24 | 180.0° | 179.5° |
| C22 | N2 | C1 | N5 | 179.5° | 179.8° |
| C22 | N2 | C1 | C2 | 0.6° | 0.5° |
| N2 | C22 | N1 | C3 | 0.6° | 0.3° |
| C1 | N2 | C22 | N1 | 0.5° | 0.5° |
| N2 | C1 | N5 | C21 | 2.1° | 0.2° |
| N2 | C1 | N5 | C2 | 179.0° | 179.8° |
| N2 | C1 | N5 | C4 | 180.0° | 179.7° |
| N2 | C1 | C2 | C3 | 0.8° | 0.3° |
| N2 | C1 | C2 | N6 | 179.9° | 179.8° |
| C1 | N2 | C22 | H24 | 179.5° | 179.9° |
| C22 | N1 | C3 | C2 | 0.8° | 0.1° |
| C22 | N1 | C3 | N7 | 179.6° | 180.0° |
| O6 | C21 | C20 | O8 | 87.7° | 142.7° |
| O6 | C21 | N5 | C20 | 118.5° | 115.4° |
| O6 | C21 | N5 | H23 | 119.9° | 122.2° |
| O6 | C21 | C20 | H23 | 119.5° | 118.9° |
| O6 | C21 | N5 | C1 | 154.6° | 156.4° |
| O6 | C21 | N5 | C4 | 23.0° | 23.5° |
| C21 | O6 | C18 | C17 | 143.3° | 159.3° |
| C21 | O6 | C18 | C19 | 18.9° | 40.5° |
| O6 | C21 | C20 | C19 | 27.6° | 24.0° |
| C21 | O6 | C18 | H18 | 97.1° | 78.3° |
| O6 | C21 | C20 | H21 | 146.5° | 94.7° |
| C18 | O6 | C21 | N5 | 116.6° | 159.4° |
| C18 | O6 | C21 | C20 | 5.7° | 40.5° |
| O6 | C18 | C17 | O5 | 52.0° | 69.7° |
| O6 | C18 | C17 | C19 | 117.6° | 115.3° |
| O6 | C18 | C17 | H18 | 120.1° | 122.5° |
| O6 | C18 | C19 | H18 | 116.6° | 118.9° |
| O6 | C18 | C19 | C20 | 35.9° | 23.9° |
| O6 | C18 | C19 | O7 | 159.7° | 142.6° |
| O6 | C18 | C17 | H16 | 68.2° | 50.3° |
| O6 | C18 | C17 | H17 | 172.2° | 170.4° |
| O6 | C18 | C19 | H19 | 78.7° | 94.8° |
| C18 | O6 | C21 | H23 | 124.1° | 78.5° |
| O8 | C20 | C21 | N5 | 153.7° | 98.5° |
| O8 | C20 | C21 | C19 | 115.3° | 118.7° |
| O8 | C20 | C21 | H21 | 125.8° | 122.7° |
| O8 | C20 | C19 | C18 | 76.3° | 118.8° |
| O8 | C20 | C19 | H21 | 127.0° | 122.5° |
| O8 | C20 | C19 | O7 | 46.0° | 0.2° |
| O8 | C20 | C19 | H19 | 169.1° | 122.5° |
| O8 | C20 | C21 | H23 | 31.7° | 23.7° |
| N5 | C21 | C20 | H23 | 122.0° | 122.3° |
| C21 | N5 | C1 | C4 | 178.0° | 179.9° |
| C21 | N5 | C1 | C2 | 179.0° | 180.0° |
| N5 | C21 | C20 | C19 | 91.0° | 142.8° |
| C21 | N5 | C4 | N6 | 178.6° | 179.9° |
| C21 | N5 | C4 | H1 | 1.4° | 0.1° |
| N5 | C21 | C20 | H21 | 27.9° | 24.1° |
| C20 | C21 | N5 | C1 | 86.9° | 88.2° |
| C20 | C21 | N5 | C4 | 95.5° | 91.9° |
| C21 | C20 | C19 | C18 | 37.9° | 0.0° |
| C21 | C20 | C19 | H21 | 118.7° | 118.7° |
| C21 | C20 | C19 | O7 | 160.3° | 118.6° |
| C21 | C20 | C19 | H19 | 76.6° | 118.7° |
| C21 | C20 | O8 | H22 | 180.0° | 176.1° |
| O2 | C16 | N4 | S1 | 2.2° | 0.0° |
| O2 | C16 | N4 | C15 | 178.1° | 180.0° |
| O2 | C16 | C15 | C14 | 130.3° | 0.0° |
| O2 | C16 | C15 | H13 | 9.9° | 120.1° |
| O2 | C16 | C15 | H14 | 109.2° | 120.0° |
| O2 | C16 | N4 | H15 | 177.8° | 180.0° |
| O5 | S1 | O3 | N4 | 119.1° | 114.1° |
| S1 | O5 | C17 | C18 | 179.6° | 180.0° |
| O5 | S1 | N4 | C16 | 56.3° | 65.0° |
| O5 | S1 | N4 | H15 | 123.7° | 115.0° |
| S1 | O5 | C17 | H16 | 60.3° | 60.1° |
| S1 | O5 | C17 | H17 | 59.4° | 59.9° |
| C17 | O5 | S1 | O3 | 50.4° | 38.5° |
| C17 | O5 | S1 | N4 | 65.6° | 75.0° |
| O5 | C17 | C18 | H16 | 120.2° | 120.0° |
| O5 | C17 | C18 | H17 | 120.2° | 120.0° |
| O5 | C17 | C18 | C19 | 169.6° | 175.0° |
| O5 | C17 | H16 | H17 | 119.4° | 120.0° |
| O5 | C17 | C18 | H18 | 68.1° | 52.8° |
| N5 | C1 | C2 | C3 | 179.9° | 179.9° |
| N5 | C1 | C2 | N6 | 0.8° | 0.0° |
| C1 | N5 | C4 | N6 | 0.8° | 0.0° |
| C1 | N5 | C4 | H1 | 179.2° | 180.0° |
| C1 | N5 | C21 | H23 | 34.7° | 34.2° |
| C1 | C2 | C3 | N1 | 0.9° | 0.1° |
| C2 | C1 | N5 | C4 | 1.0° | 0.0° |
| C1 | C2 | C3 | N6 | 179.1° | 179.9° |
| C1 | C2 | C3 | N7 | 179.5° | 180.0° |
| C1 | C2 | N6 | C4 | 0.3° | 0.0° |
| N1 | C3 | C2 | N7 | 179.6° | 179.9° |
| N1 | C3 | C2 | N6 | 180.0° | 180.0° |
| C3 | N1 | C22 | H24 | 179.4° | 179.7° |
| N1 | C3 | N7 | H25 | 0.0° | 180.0° |
| N1 | C3 | N7 | H26 | 120.0° | 0.1° |
| O3 | S1 | N4 | C16 | 175.4° | 178.5° |
| O3 | S1 | N4 | H15 | 4.6° | 1.5° |
| S1 | N4 | C16 | H15 | 180.0° | 180.0° |
| S1 | N4 | C16 | C15 | 175.9° | 180.0° |
| N5 | C4 | N6 | C2 | 0.3° | 0.0° |
| N5 | C4 | N6 | H1 | 180.0° | 180.0° |
| C4 | N5 | C21 | H23 | 142.8° | 145.7° |
| C17 | C18 | C19 | H18 | 122.4° | 122.3° |
| C17 | C18 | C19 | C20 | 156.8° | 142.8° |
| C17 | C18 | C19 | O7 | 79.3° | 98.5° |
| C18 | C17 | H16 | H17 | 119.5° | 120.1° |
| C17 | C18 | C19 | H19 | 42.3° | 24.0° |
| C18 | C19 | C20 | O7 | 122.3° | 118.6° |
| C18 | C19 | C20 | H19 | 114.6° | 118.7° |
| C18 | C19 | O7 | H19 | 120.8° | 122.6° |
| C19 | C18 | C17 | H16 | 49.4° | 65.0° |
| C19 | C18 | C17 | H17 | 70.2° | 55.0° |
| C18 | C19 | O7 | H20 | 180.0° | 180.0° |
| C18 | C19 | C20 | H21 | 156.7° | 118.7° |
| C20 | C19 | O7 | H19 | 122.4° | 122.8° |
| C20 | C19 | C18 | H18 | 80.8° | 95.0° |
| C20 | C19 | O7 | H20 | 63.2° | 65.3° |
| C19 | C20 | O8 | H22 | 70.8° | 61.4° |
| C19 | C20 | C21 | H23 | 147.1° | 94.9° |
| N4 | C16 | C15 | C14 | 51.5° | 180.0° |
| N4 | C16 | C15 | H13 | 171.9° | 59.9° |
| N4 | C16 | C15 | H14 | 68.9° | 60.0° |
| C16 | C15 | C14 | H13 | 120.4° | 120.1° |
| C16 | C15 | C14 | H14 | 120.4° | 120.0° |
| C16 | C15 | C14 | C13 | 162.6° | 175.0° |
| C16 | C15 | C14 | N3 | 74.2° | 65.1° |
| C16 | C15 | C14 | H9 | 44.5° | 55.0° |
| C16 | C15 | H13 | H14 | 118.6° | 119.9° |
| C15 | C16 | N4 | H15 | 4.1° | 0.1° |
| C3 | C2 | N6 | C4 | 179.5° | 179.9° |
| C2 | C3 | N7 | H25 | 179.6° | 0.1° |
| C2 | C3 | N7 | H26 | 60.4° | 180.0° |
| N6 | C2 | C3 | N7 | 0.4° | 0.1° |
| C2 | N6 | C4 | H1 | 179.7° | 180.0° |
| C3 | N7 | H25 | H26 | 120.0° | 179.9° |
| O7 | C19 | C18 | H18 | 43.1° | 23.7° |
| O7 | C19 | C20 | H21 | 81.0° | 122.7° |
| C15 | C14 | C13 | N3 | 124.8° | 120.0° |
| C15 | C14 | C13 | H9 | 117.1° | 120.1° |
| C15 | C14 | N3 | H9 | 118.4° | 120.1° |
| C15 | C14 | C13 | C10 | 105.9° | 100.0° |
| C15 | C14 | C13 | C12 | 73.8° | 80.2° |
| C15 | C14 | N3 | H10 | 180.0° | 176.0° |
| C15 | C14 | N3 | H11 | 60.0° | 59.9° |
| C14 | C15 | H13 | H14 | 118.6° | 120.0° |
| C13 | C14 | N3 | H9 | 118.7° | 120.0° |
| C14 | C13 | C10 | C12 | 179.7° | 179.8° |
| C14 | C13 | C10 | C9 | 179.1° | 179.9° |
| C14 | C13 | C12 | C11 | 179.7° | 179.9° |
| C14 | C13 | C10 | H6 | 0.9° | 0.0° |
| C14 | C13 | C12 | H8 | 0.2° | 0.1° |
| C13 | C14 | N3 | H10 | 57.1° | 64.0° |
| C13 | C14 | N3 | H11 | 62.8° | 60.0° |
| C13 | C14 | C15 | H13 | 42.2° | 65.0° |
| C13 | C14 | C15 | H14 | 76.9° | 55.0° |
| N3 | C14 | C13 | C10 | 129.2° | 140.0° |
| N3 | C14 | C13 | C12 | 51.1° | 39.7° |
| C14 | N3 | H10 | H11 | 120.0° | 124.0° |
| N3 | C14 | C15 | H13 | 165.4° | 55.0° |
| N3 | C14 | C15 | H14 | 46.2° | 175.0° |
| C13 | C10 | C9 | H6 | 180.0° | 180.0° |
| C10 | C13 | C12 | C11 | 0.6° | 0.3° |
| C13 | C10 | C9 | C8 | 1.1° | 0.0° |
| C13 | C10 | C9 | H5 | 178.9° | 180.0° |
| C10 | C13 | C12 | H8 | 179.5° | 179.7° |
| C10 | C13 | C14 | H9 | 11.2° | 20.0° |
| C12 | C13 | C10 | C9 | 1.2° | 0.3° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | C8 | 0.1° | 0.0° |
| C12 | C13 | C10 | H6 | 178.8° | 179.7° |
| C13 | C12 | C11 | H7 | 179.9° | 180.0° |
| C12 | C13 | C14 | H9 | 169.1° | 159.7° |
| C10 | C9 | C8 | H5 | 180.0° | 179.9° |
| C10 | C9 | C8 | C11 | 0.5° | 0.3° |
| C10 | C9 | C8 | O1 | 180.0° | 179.9° |
| C12 | C11 | C8 | C9 | 0.1° | 0.3° |
| C12 | C11 | C8 | H7 | 180.0° | 180.0° |
| C12 | C11 | C8 | O1 | 179.3° | 179.9° |
| C9 | C8 | C11 | O1 | 179.4° | 179.7° |
| C9 | C8 | O1 | C7 | 174.8° | 180.0° |
| C8 | C9 | C10 | H6 | 178.9° | 180.0° |
| C9 | C8 | C11 | H7 | 179.9° | 179.7° |
| C11 | C8 | O1 | C7 | 4.6° | 0.3° |
| C11 | C8 | C9 | H5 | 179.5° | 179.7° |
| C8 | C11 | C12 | H8 | 179.9° | 180.0° |
| C8 | O1 | C7 | C6 | 172.3° | 179.9° |
| C8 | O1 | C7 | H3 | 68.3° | 60.1° |
| C8 | O1 | C7 | H4 | 52.9° | 60.0° |
| O1 | C8 | C9 | H5 | 0.1° | 0.0° |
| O1 | C8 | C11 | H7 | 0.7° | 0.0° |
| O1 | C7 | C6 | H3 | 119.4° | 120.0° |
| O1 | C7 | C6 | H4 | 119.4° | 120.0° |
| O1 | C7 | C6 | C5 | 7.4° | 7.3° |
| O1 | C7 | H3 | H4 | 121.8° | 120.1° |
| C7 | C6 | C5 | H2 | 115.1° | 173.8° |
| C6 | C7 | H3 | H4 | 121.8° | 119.9° |
| C5 | C6 | C7 | H3 | 126.8° | 112.7° |
| C5 | C6 | C7 | H4 | 112.0° | 127.4° |
| H5 | C9 | C10 | H6 | 1.1° | 0.1° |
| H7 | C11 | C12 | H8 | 0.1° | 0.0° |
| H9 | C14 | N3 | H10 | 61.6° | 56.0° |
| H9 | C14 | N3 | H11 | 178.4° | 180.0° |
| H9 | C14 | C15 | H13 | 75.9° | 175.0° |
| H9 | C14 | C15 | H14 | 164.9° | 65.0° |
| H16 | C17 | C18 | H18 | 171.7° | 172.8° |
| H17 | C17 | C18 | H18 | 52.1° | 67.2° |
| H18 | C18 | C19 | H19 | 164.6° | 146.3° |
| H19 | C19 | O7 | H20 | 59.2° | 57.4° |
| H19 | C19 | C20 | H21 | 42.1° | 0.0° |
| H21 | C20 | O8 | H22 | 55.3° | 61.1° |
| H21 | C20 | C21 | H23 | 94.0° | 146.4° |
