LHT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C13 | doub | 1.21Å | 1.19Å | |
| O3 | C13 | sing | 1.35Å | 1.27Å | |
| C13 | C12 | sing | 1.48Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C12 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| S1 | C3 | sing | 1.76Å | 1.74Å | |
| S1 | C4 | sing | 1.81Å | 1.81Å | |
| C14 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| O1 | C7 | doub | 1.21Å | 1.22Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C10 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| O7 | C20 | doub | 1.21Å | 1.21Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C2 | C18 | sing | 1.54Å | 1.50Å | |
| C3 | C16 | doub | 1.35Å | 1.32Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | N2 | sing | 1.40Å | 1.41Å | |
| C21 | O8 | sing | 1.43Å | 1.42Å | |
| C7 | N2 | sing | 1.35Å | 1.35Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C15 | C4 | sing | 1.55Å | 1.53Å | |
| C15 | C6 | sing | 1.54Å | 1.53Å | |
| C4 | C5 | sing | 1.55Å | 1.49Å | |
| C20 | O6 | sing | 1.34Å | 1.19Å | |
| C18 | N3 | sing | 1.47Å | 1.45Å | |
| C16 | N3 | sing | 1.40Å | 1.28Å | |
| C16 | C17 | sing | 1.41Å | 1.48Å | |
| O5 | C17 | doub | 1.22Å | 1.17Å | |
| C5 | N1 | sing | 1.48Å | 1.45Å | |
| C6 | N1 | sing | 1.47Å | 1.45Å | |
| C17 | O4 | sing | 1.35Å | 1.17Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| O6 | H4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H22 | sing | 1.08Å | 1.08Å | |
| N1 | H23 | sing | 1.01Å | 1.00Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å | |
| O3 | H26 | sing | 0.97Å | 0.95Å | |
| N3 | H27 | sing | 0.97Å | 1.00Å | |
| O8 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C13 | O3 | 122.2° | 120.1° |
| O2 | C13 | C12 | 122.3° | 120.0° |
| O3 | C13 | C12 | 115.4° | 120.0° |
| C13 | O3 | H26 | 109.5° | 117.0° |
| C13 | C12 | C11 | 119.6° | 120.1° |
| C13 | C12 | C14 | 121.0° | 120.1° |
| C1 | C2 | C3 | 119.8° | 110.4° |
| C1 | C2 | C18 | 117.6° | 110.4° |
| C1 | C2 | H9 | 104.7° | 110.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C11 | C12 | C14 | 119.2° | 119.8° |
| C12 | C11 | C10 | 120.4° | 120.0° |
| C12 | C11 | H1 | 119.8° | 120.0° |
| C12 | C14 | C8 | 120.4° | 119.8° |
| C12 | C14 | H22 | 119.8° | 120.1° |
| C11 | C10 | C9 | 120.8° | 120.2° |
| C10 | C11 | H1 | 119.8° | 120.0° |
| C11 | C10 | H16 | 119.6° | 119.9° |
| C3 | S1 | C4 | 93.5° | 100.0° |
| S1 | C3 | C2 | 122.9° | 125.6° |
| S1 | C3 | C16 | 126.6° | 125.6° |
| S1 | C4 | C15 | 118.2° | 111.0° |
| S1 | C4 | C5 | 113.0° | 110.9° |
| S1 | C4 | H7 | 105.0° | 110.8° |
| C14 | C8 | C9 | 120.1° | 120.0° |
| C14 | C8 | N2 | 122.5° | 120.0° |
| C8 | C14 | H22 | 119.8° | 120.1° |
| O1 | C7 | N2 | 123.7° | 120.0° |
| O1 | C7 | C6 | 121.7° | 120.0° |
| C22 | C21 | C19 | 113.5° | 109.5° |
| C22 | C21 | O8 | 112.4° | 109.4° |
| C22 | C21 | H17 | 106.3° | 109.5° |
| C21 | C22 | H18 | 109.5° | 109.5° |
| C21 | C22 | H19 | 109.4° | 109.5° |
| C21 | C22 | H20 | 109.4° | 109.5° |
| C10 | C9 | C8 | 119.0° | 120.2° |
| C9 | C10 | H16 | 119.6° | 119.9° |
| C10 | C9 | H21 | 120.5° | 119.9° |
| O7 | C20 | C19 | 118.9° | 120.0° |
| O7 | C20 | O6 | 125.9° | 120.0° |
| C3 | C2 | C18 | 103.6° | 104.5° |
| C2 | C3 | C16 | 108.9° | 108.8° |
| C3 | C2 | H9 | 104.7° | 110.4° |
| C2 | C18 | C19 | 118.5° | 110.5° |
| C2 | C18 | N3 | 96.6° | 104.6° |
| C2 | C18 | H2 | 110.2° | 110.3° |
| C18 | C2 | H9 | 104.7° | 110.5° |
| C3 | C16 | N3 | 107.5° | 112.8° |
| C3 | C16 | C17 | 133.2° | 123.6° |
| C21 | C19 | C20 | 104.2° | 109.5° |
| C21 | C19 | C18 | 115.2° | 109.4° |
| C19 | C21 | O8 | 110.9° | 109.4° |
| C21 | C19 | H15 | 108.8° | 109.4° |
| C19 | C21 | H17 | 106.0° | 109.5° |
| C20 | C19 | C18 | 110.6° | 109.5° |
| C19 | C20 | O6 | 114.8° | 120.0° |
| C20 | C19 | H15 | 108.8° | 109.5° |
| C19 | C18 | N3 | 110.0° | 110.4° |
| C19 | C18 | H2 | 109.9° | 110.4° |
| C18 | C19 | H15 | 108.9° | 109.4° |
| C9 | C8 | N2 | 117.3° | 120.0° |
| C8 | C9 | H21 | 120.5° | 119.9° |
| C8 | N2 | C7 | 127.0° | 120.0° |
| C8 | N2 | H25 | 116.5° | 120.0° |
| O8 | C21 | H17 | 107.2° | 109.5° |
| C21 | O8 | H28 | 109.5° | 114.1° |
| N2 | C7 | C6 | 114.6° | 120.0° |
| C7 | N2 | H25 | 116.5° | 120.0° |
| C7 | C6 | C15 | 111.9° | 110.0° |
| C7 | C6 | N1 | 108.9° | 109.9° |
| C7 | C6 | H3 | 111.1° | 109.9° |
| C4 | C15 | C6 | 103.6° | 103.0° |
| C15 | C4 | C5 | 104.1° | 101.7° |
| C15 | C4 | H7 | 107.9° | 111.0° |
| C4 | C15 | H10 | 110.9° | 110.7° |
| C4 | C15 | H11 | 110.9° | 110.7° |
| C15 | C6 | N1 | 101.7° | 107.2° |
| C15 | C6 | H3 | 110.8° | 109.9° |
| C6 | C15 | H10 | 110.9° | 110.7° |
| C6 | C15 | H11 | 110.9° | 110.7° |
| C4 | C5 | N1 | 97.7° | 104.8° |
| C4 | C5 | H5 | 112.3° | 110.4° |
| C4 | C5 | H6 | 112.3° | 110.5° |
| C5 | C4 | H7 | 108.4° | 111.0° |
| C20 | O6 | H4 | 109.5° | 117.0° |
| C18 | N3 | C16 | 116.4° | 109.2° |
| N3 | C18 | H2 | 110.9° | 110.4° |
| C18 | N3 | H27 | 107.7° | 125.4° |
| N3 | C16 | C17 | 118.2° | 123.6° |
| C16 | N3 | H27 | 107.7° | 125.4° |
| C16 | C17 | O5 | 119.1° | 120.0° |
| C16 | C17 | O4 | 115.7° | 120.0° |
| O5 | C17 | O4 | 125.2° | 120.0° |
| C5 | N1 | C6 | 105.2° | 108.6° |
| N1 | C5 | H5 | 112.3° | 110.4° |
| N1 | C5 | H6 | 112.3° | 110.3° |
| C5 | N1 | H23 | 110.6° | 111.0° |
| N1 | C6 | H3 | 112.1° | 109.9° |
| C6 | N1 | H23 | 110.5° | 111.0° |
| C17 | O4 | H8 | 109.5° | 114.0° |
| H5 | C5 | H6 | 109.5° | 110.3° |
| H10 | C15 | H11 | 109.5° | 110.8° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.4° |
| H18 | C22 | H20 | 109.5° | 109.4° |
| H19 | C22 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C13 | O3 | C12 | 178.5° | 180.0° |
| O2 | C13 | C12 | C11 | 8.0° | 180.0° |
| O2 | C13 | C12 | C14 | 168.3° | 0.1° |
| O2 | C13 | O3 | H26 | 0.0° | 0.0° |
| O3 | C13 | C12 | C11 | 173.4° | 0.0° |
| O3 | C13 | C12 | C14 | 10.2° | 179.9° |
| C13 | C12 | C11 | C14 | 176.5° | 179.9° |
| C13 | C12 | C11 | C10 | 178.9° | 179.9° |
| C13 | C12 | C14 | C8 | 178.6° | 179.5° |
| C13 | C12 | C11 | H1 | 1.2° | 0.2° |
| C13 | C12 | C14 | H22 | 1.4° | 0.1° |
| C12 | C13 | O3 | H26 | 178.5° | 180.0° |
| C1 | C2 | C3 | S1 | 44.2° | 61.2° |
| C1 | C2 | C3 | C18 | 133.5° | 118.7° |
| C1 | C2 | C3 | H9 | 116.9° | 122.4° |
| C1 | C2 | C18 | H9 | 115.7° | 122.5° |
| C1 | C2 | C3 | C16 | 149.4° | 118.7° |
| C1 | C2 | C18 | C19 | 40.2° | 0.1° |
| C1 | C2 | C18 | N3 | 157.3° | 118.8° |
| C1 | C2 | C18 | H2 | 87.5° | 122.5° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H14 | 120.0° | 120.1° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C12 | C11 | C10 | H1 | 180.0° | 179.7° |
| C11 | C12 | C14 | C8 | 2.2° | 0.6° |
| C12 | C11 | C10 | C9 | 1.4° | 0.3° |
| C12 | C11 | C10 | H16 | 178.6° | 179.7° |
| C11 | C12 | C14 | H22 | 177.8° | 180.0° |
| C14 | C12 | C11 | C10 | 2.4° | 0.0° |
| C12 | C14 | C8 | H22 | 180.0° | 179.4° |
| C12 | C14 | C8 | C9 | 0.9° | 0.8° |
| C12 | C14 | C8 | N2 | 177.4° | 179.7° |
| C14 | C12 | C11 | H1 | 177.6° | 179.7° |
| C11 | C10 | C9 | H16 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.1° | 0.1° |
| C11 | C10 | C9 | H21 | 179.9° | 180.0° |
| S1 | C3 | C2 | C16 | 166.4° | 179.9° |
| S1 | C3 | C2 | C18 | 177.7° | 179.9° |
| C3 | S1 | C4 | C15 | 123.4° | 177.6° |
| C3 | S1 | C4 | C5 | 114.8° | 65.3° |
| S1 | C3 | C16 | N3 | 165.6° | 180.0° |
| S1 | C3 | C16 | C17 | 1.8° | 0.1° |
| C3 | S1 | C4 | H7 | 3.1° | 58.5° |
| S1 | C3 | C2 | H9 | 72.7° | 61.3° |
| C4 | S1 | C3 | C2 | 96.2° | 63.8° |
| C4 | S1 | C3 | C16 | 67.7° | 116.2° |
| S1 | C4 | C15 | C5 | 126.2° | 118.1° |
| S1 | C4 | C15 | H7 | 118.8° | 123.8° |
| S1 | C4 | C15 | C6 | 144.6° | 153.7° |
| S1 | C4 | C5 | H7 | 115.9° | 123.7° |
| S1 | C4 | C5 | N1 | 172.0° | 155.2° |
| S1 | C4 | C5 | H5 | 54.0° | 36.4° |
| S1 | C4 | C5 | H6 | 70.0° | 85.9° |
| S1 | C4 | C15 | H10 | 96.3° | 35.4° |
| S1 | C4 | C15 | H11 | 25.6° | 87.9° |
| C14 | C8 | C9 | C10 | 0.1° | 0.5° |
| C14 | C8 | C9 | N2 | 178.4° | 179.5° |
| C14 | C8 | N2 | C7 | 84.5° | 63.1° |
| C14 | C8 | C9 | H21 | 179.9° | 179.4° |
| C14 | C8 | N2 | H25 | 95.5° | 116.9° |
| O1 | C7 | N2 | C8 | 10.1° | 3.9° |
| O1 | C7 | N2 | C6 | 180.0° | 180.0° |
| O1 | C7 | C6 | C15 | 43.2° | 99.3° |
| O1 | C7 | C6 | N1 | 154.8° | 18.6° |
| O1 | C7 | C6 | H3 | 81.2° | 139.6° |
| O1 | C7 | N2 | H25 | 169.9° | 176.1° |
| C22 | C21 | C19 | O8 | 127.6° | 119.9° |
| C22 | C21 | C19 | H17 | 116.3° | 120.0° |
| C22 | C21 | C19 | C20 | 171.8° | 24.7° |
| C22 | C21 | C19 | C18 | 66.8° | 95.3° |
| C22 | C21 | O8 | H17 | 116.5° | 120.0° |
| C22 | C21 | C19 | H15 | 55.8° | 144.7° |
| C21 | C22 | H18 | H19 | 120.0° | 120.0° |
| C21 | C22 | H18 | H20 | 120.0° | 120.0° |
| C21 | C22 | H19 | H20 | 120.0° | 120.0° |
| C22 | C21 | O8 | H28 | 180.0° | 73.8° |
| C10 | C9 | C8 | H21 | 180.0° | 179.9° |
| C10 | C9 | C8 | N2 | 178.5° | 180.0° |
| C9 | C10 | C11 | H1 | 178.6° | 180.0° |
| O7 | C20 | C19 | C21 | 125.5° | 55.6° |
| O7 | C20 | C19 | O6 | 173.8° | 180.0° |
| O7 | C20 | C19 | C18 | 110.1° | 64.4° |
| O7 | C20 | O6 | H4 | 0.0° | 5.1° |
| O7 | C20 | C19 | H15 | 9.5° | 175.6° |
| C3 | C2 | C18 | H9 | 109.5° | 118.8° |
| C3 | C2 | C18 | C19 | 94.5° | 118.8° |
| C3 | C2 | C18 | N3 | 22.5° | 0.1° |
| C2 | C3 | C16 | N3 | 0.1° | 0.0° |
| C2 | C3 | C16 | C17 | 167.6° | 180.0° |
| C3 | C2 | C18 | H2 | 137.7° | 118.8° |
| C3 | C2 | C1 | H12 | 180.0° | 90.4° |
| C3 | C2 | C1 | H13 | 60.0° | 149.6° |
| C3 | C2 | C1 | H14 | 60.0° | 29.6° |
| C18 | C2 | C3 | C16 | 15.9° | 0.0° |
| C2 | C18 | C19 | C21 | 119.6° | 80.1° |
| C2 | C18 | C19 | C20 | 122.6° | 159.9° |
| C2 | C18 | C19 | N3 | 109.7° | 115.3° |
| C2 | C18 | C19 | H2 | 127.9° | 122.4° |
| C2 | C18 | N3 | H2 | 114.6° | 118.7° |
| C2 | C18 | N3 | C16 | 26.5° | 0.1° |
| C18 | C2 | C1 | H12 | 52.7° | 154.5° |
| C18 | C2 | C1 | H13 | 67.3° | 34.5° |
| C18 | C2 | C1 | H14 | 172.7° | 85.5° |
| C2 | C18 | C19 | H15 | 3.0° | 39.8° |
| C2 | C18 | N3 | H27 | 147.6° | 179.9° |
| C3 | C16 | N3 | C18 | 18.1° | 0.1° |
| C3 | C16 | N3 | C17 | 169.6° | 179.9° |
| C3 | C16 | C17 | O5 | 40.5° | 4.7° |
| C3 | C16 | C17 | O4 | 137.6° | 175.3° |
| C16 | C3 | C2 | H9 | 93.7° | 118.8° |
| C3 | C16 | N3 | H27 | 139.1° | 179.9° |
| C21 | C19 | C20 | C18 | 124.4° | 120.0° |
| C21 | C19 | C20 | H15 | 116.0° | 120.0° |
| C21 | C19 | C18 | H15 | 122.6° | 119.9° |
| C19 | C21 | O8 | H17 | 115.3° | 120.1° |
| C21 | C19 | C20 | O6 | 60.8° | 124.4° |
| C21 | C19 | C18 | N3 | 130.7° | 164.6° |
| C21 | C19 | C18 | H2 | 8.3° | 42.2° |
| C19 | C21 | C22 | H18 | 180.0° | 60.0° |
| C19 | C21 | C22 | H19 | 60.0° | 180.0° |
| C19 | C21 | C22 | H20 | 60.0° | 60.0° |
| C19 | C21 | O8 | H28 | 51.8° | 46.2° |
| C20 | C19 | C18 | H15 | 119.6° | 120.0° |
| C20 | C19 | C21 | O8 | 60.6° | 95.2° |
| C20 | C19 | C18 | N3 | 12.9° | 44.5° |
| C20 | C19 | C18 | H2 | 109.5° | 77.8° |
| C19 | C20 | O6 | H4 | 173.3° | 174.9° |
| C20 | C19 | C21 | H17 | 55.5° | 144.7° |
| C18 | C19 | C21 | O8 | 60.8° | 144.7° |
| C18 | C19 | C20 | O6 | 63.6° | 115.6° |
| C19 | C18 | N3 | H2 | 121.8° | 122.3° |
| C19 | C18 | N3 | C16 | 97.1° | 118.9° |
| C19 | C18 | C2 | H9 | 155.9° | 122.4° |
| C18 | C19 | C21 | H17 | 176.9° | 24.7° |
| C19 | C18 | N3 | H27 | 24.0° | 61.0° |
| C9 | C8 | N2 | C7 | 97.1° | 117.4° |
| C8 | C9 | C10 | H16 | 179.9° | 180.0° |
| C9 | C8 | C14 | H22 | 179.1° | 179.8° |
| C9 | C8 | N2 | H25 | 82.9° | 62.6° |
| C8 | N2 | C7 | H25 | 180.0° | 180.0° |
| C8 | N2 | C7 | C6 | 169.9° | 176.1° |
| N2 | C8 | C9 | H21 | 1.4° | 0.1° |
| N2 | C8 | C14 | H22 | 2.6° | 0.3° |
| O8 | C21 | C19 | H15 | 176.6° | 24.8° |
| O8 | C21 | C22 | H18 | 53.2° | 60.0° |
| O8 | C21 | C22 | H19 | 173.2° | 60.0° |
| O8 | C21 | C22 | H20 | 66.8° | 179.9° |
| N2 | C7 | C6 | C15 | 136.8° | 80.7° |
| N2 | C7 | C6 | N1 | 25.1° | 161.4° |
| N2 | C7 | C6 | H3 | 98.8° | 40.4° |
| C7 | C6 | C15 | C4 | 103.0° | 141.8° |
| C7 | C6 | C15 | N1 | 116.1° | 119.5° |
| C7 | C6 | C15 | H3 | 124.6° | 121.1° |
| C7 | C6 | N1 | C5 | 76.2° | 118.6° |
| C7 | C6 | N1 | H3 | 123.4° | 121.0° |
| C7 | C6 | C15 | H10 | 137.9° | 23.4° |
| C7 | C6 | C15 | H11 | 16.0° | 99.9° |
| C7 | C6 | N1 | H23 | 43.2° | 3.7° |
| C6 | C7 | N2 | H25 | 10.1° | 3.9° |
| C4 | C15 | C6 | H10 | 119.1° | 118.3° |
| C4 | C15 | C6 | H11 | 119.0° | 118.4° |
| C15 | C4 | C5 | H7 | 114.7° | 118.2° |
| C15 | C4 | C5 | N1 | 42.6° | 37.1° |
| C4 | C15 | C6 | N1 | 13.1° | 22.3° |
| C4 | C15 | C6 | H3 | 132.5° | 97.1° |
| C15 | C4 | C5 | H5 | 75.5° | 81.7° |
| C15 | C4 | C5 | H6 | 160.6° | 155.9° |
| C4 | C15 | H10 | H11 | 122.7° | 123.2° |
| C6 | C15 | C4 | C5 | 18.4° | 35.7° |
| C15 | C6 | N1 | C5 | 42.1° | 1.0° |
| C15 | C6 | N1 | H3 | 118.4° | 119.4° |
| C6 | C15 | C4 | H7 | 96.6° | 82.5° |
| C6 | C15 | H10 | H11 | 122.7° | 123.2° |
| C15 | C6 | N1 | H23 | 161.4° | 123.3° |
| C4 | C5 | N1 | H5 | 118.0° | 118.9° |
| C4 | C5 | N1 | H6 | 118.0° | 118.9° |
| C4 | C5 | N1 | C6 | 53.5° | 24.2° |
| C4 | C5 | H5 | H6 | 125.5° | 122.4° |
| C5 | C4 | C15 | H10 | 137.5° | 82.7° |
| C5 | C4 | C15 | H11 | 100.6° | 154.0° |
| C4 | C5 | N1 | H23 | 172.9° | 146.4° |
| O6 | C20 | C19 | H15 | 176.7° | 4.4° |
| C18 | N3 | C16 | H27 | 121.0° | 179.9° |
| C18 | N3 | C16 | C17 | 172.3° | 180.0° |
| N3 | C18 | C2 | H9 | 87.0° | 118.7° |
| N3 | C18 | C19 | H15 | 106.7° | 75.5° |
| N3 | C16 | C17 | O5 | 153.1° | 175.4° |
| N3 | C16 | C17 | O4 | 28.8° | 4.6° |
| C16 | N3 | C18 | H2 | 141.1° | 118.8° |
| C16 | C17 | O5 | O4 | 177.9° | 180.0° |
| C16 | C17 | O4 | H8 | 178.0° | 180.0° |
| C17 | C16 | N3 | H27 | 51.3° | 0.1° |
| O5 | C17 | O4 | H8 | 0.0° | 0.0° |
| C5 | N1 | C6 | H23 | 119.3° | 122.3° |
| C5 | N1 | C6 | H3 | 160.5° | 120.4° |
| N1 | C5 | H5 | H6 | 125.5° | 122.2° |
| N1 | C5 | C4 | H7 | 72.1° | 81.0° |
| C6 | N1 | C5 | H5 | 64.5° | 94.7° |
| C6 | N1 | C5 | H6 | 171.6° | 143.1° |
| N1 | C6 | C15 | H10 | 105.9° | 96.1° |
| N1 | C6 | C15 | H11 | 132.2° | 140.6° |
| H1 | C11 | C10 | H16 | 1.3° | 0.0° |
| H2 | C18 | C2 | H9 | 28.2° | 0.0° |
| H2 | C18 | C19 | H15 | 130.9° | 162.2° |
| H2 | C18 | N3 | H27 | 97.9° | 61.3° |
| H3 | C6 | C15 | H10 | 13.4° | 144.6° |
| H3 | C6 | C15 | H11 | 108.5° | 21.3° |
| H3 | C6 | N1 | H23 | 80.2° | 117.3° |
| H5 | C5 | C4 | H7 | 169.9° | 160.1° |
| H5 | C5 | N1 | H23 | 54.9° | 27.5° |
| H6 | C5 | C4 | H7 | 45.9° | 37.8° |
| H6 | C5 | N1 | H23 | 69.1° | 94.7° |
| H7 | C4 | C15 | H10 | 22.5° | 159.2° |
| H7 | C4 | C15 | H11 | 144.4° | 35.9° |
| H9 | C2 | C1 | H12 | 63.0° | 32.0° |
| H9 | C2 | C1 | H13 | 177.0° | 88.0° |
| H9 | C2 | C1 | H14 | 56.9° | 152.0° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H15 | C19 | C21 | H17 | 60.5° | 95.2° |
| H16 | C10 | C9 | H21 | 0.1° | 0.1° |
| H17 | C21 | C22 | H18 | 63.8° | 180.0° |
| H17 | C21 | C22 | H19 | 56.2° | 60.0° |
| H17 | C21 | C22 | H20 | 176.2° | 60.1° |
| H17 | C21 | O8 | H28 | 63.5° | 166.2° |
| H18 | C22 | H19 | H20 | 120.1° | 120.0° |
