A1JV2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | O2 | sing | 1.43Å | 1.43Å | |
| C10 | C12 | sing | 1.53Å | 1.56Å | |
| C10 | C15 | sing | 1.53Å | 1.58Å | |
| C10 | N2 | sing | 1.47Å | 1.48Å | |
| C14 | O2 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| N2 | C9 | sing | 1.39Å | 1.37Å | |
| C9 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C8 | doub | 1.32Å | 1.35Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C8 | C19 | sing | 1.41Å | 1.44Å | Aromatic |
| C8 | N | sing | 1.38Å | 1.41Å | |
| C4 | N | sing | 1.48Å | 1.47Å | |
| C4 | C3 | sing | 1.54Å | 1.53Å | |
| C19 | C20 | sing | 1.43Å | 1.44Å | |
| N | C5 | sing | 1.49Å | 1.45Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C3 | C6 | sing | 1.54Å | 1.55Å | |
| C20 | N3 | trip | 1.14Å | 1.14Å | |
| C5 | C6 | sing | 1.54Å | 1.53Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | O | doub | 1.21Å | 1.31Å | |
| C7 | O1 | sing | 1.34Å | 1.21Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| O1 | H10 | sing | 0.97Å | 0.95Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| N2 | H23 | sing | 0.97Å | 1.00Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C12 | 110.7° | 109.5° |
| C11 | C10 | C15 | 107.4° | 109.5° |
| C11 | C10 | N2 | 109.0° | 109.6° |
| C10 | C11 | H24 | 109.5° | 109.5° |
| C10 | C11 | H25 | 109.5° | 109.5° |
| C10 | C11 | H26 | 109.5° | 109.4° |
| C12 | C13 | O2 | 111.9° | 109.4° |
| C13 | C12 | C10 | 111.7° | 109.2° |
| C12 | C13 | H6 | 108.8° | 109.5° |
| C12 | C13 | H7 | 108.8° | 109.5° |
| C13 | C12 | H29 | 108.9° | 109.5° |
| C13 | C12 | H30 | 108.9° | 109.5° |
| C13 | O2 | C14 | 110.9° | 114.1° |
| O2 | C13 | H6 | 108.8° | 109.5° |
| O2 | C13 | H7 | 108.9° | 109.5° |
| C12 | C10 | C15 | 110.0° | 109.1° |
| C12 | C10 | N2 | 109.5° | 109.6° |
| C10 | C12 | H29 | 108.9° | 109.6° |
| C10 | C12 | H30 | 108.9° | 109.5° |
| C15 | C10 | N2 | 110.2° | 109.5° |
| C10 | C15 | C14 | 111.1° | 109.2° |
| C10 | C15 | H8 | 109.0° | 109.6° |
| C10 | C15 | H9 | 109.0° | 109.6° |
| C10 | N2 | C9 | 131.8° | 120.0° |
| C10 | N2 | H23 | 103.7° | 120.0° |
| O2 | C14 | C15 | 111.7° | 109.4° |
| O2 | C14 | H27 | 108.9° | 109.5° |
| O2 | C14 | H28 | 108.9° | 109.5° |
| C14 | C15 | H8 | 109.1° | 109.5° |
| C14 | C15 | H9 | 109.1° | 109.6° |
| C15 | C14 | H27 | 108.9° | 109.5° |
| C15 | C14 | H28 | 108.9° | 109.4° |
| N2 | C9 | C16 | 119.6° | 119.4° |
| N2 | C9 | N1 | 117.3° | 119.5° |
| C9 | N2 | H23 | 103.6° | 120.0° |
| C16 | C9 | N1 | 123.1° | 121.1° |
| C9 | C16 | C17 | 119.4° | 119.5° |
| C9 | C16 | H22 | 120.3° | 120.3° |
| C9 | N1 | C8 | 119.3° | 121.7° |
| C16 | C17 | C18 | 120.1° | 120.8° |
| C16 | C17 | C19 | 118.6° | 118.4° |
| C17 | C16 | H22 | 120.3° | 120.3° |
| N1 | C8 | C19 | 121.1° | 120.5° |
| N1 | C8 | N | 115.9° | 119.8° |
| C18 | C17 | C19 | 121.3° | 120.8° |
| C17 | C18 | H19 | 109.5° | 109.5° |
| C17 | C18 | H20 | 109.5° | 109.4° |
| C17 | C18 | H21 | 109.5° | 109.5° |
| C17 | C19 | C8 | 118.4° | 118.9° |
| C17 | C19 | C20 | 118.3° | 120.5° |
| C2 | C1 | C3 | 113.9° | 109.5° |
| C2 | C1 | C | 109.8° | 109.5° |
| C2 | C1 | H12 | 106.7° | 109.5° |
| C1 | C2 | H13 | 109.5° | 109.5° |
| C1 | C2 | H14 | 109.5° | 109.5° |
| C1 | C2 | H15 | 109.4° | 109.5° |
| C19 | C8 | N | 122.8° | 119.8° |
| C8 | C19 | C20 | 123.3° | 120.5° |
| C8 | N | C4 | 124.4° | 111.0° |
| C8 | N | C5 | 124.0° | 111.0° |
| N | C4 | C3 | 105.5° | 104.6° |
| C4 | N | C5 | 111.2° | 104.2° |
| N | C4 | H1 | 110.5° | 110.4° |
| N | C4 | H2 | 110.5° | 110.4° |
| C4 | C3 | C1 | 113.6° | 110.3° |
| C4 | C3 | C6 | 101.3° | 105.0° |
| C3 | C4 | H1 | 110.5° | 110.4° |
| C3 | C4 | H2 | 110.5° | 110.5° |
| C4 | C3 | H11 | 108.7° | 110.3° |
| C19 | C20 | N3 | 177.4° | 180.0° |
| N | C5 | C6 | 102.8° | 104.6° |
| N | C5 | H3 | 111.1° | 110.4° |
| N | C5 | H4 | 111.1° | 110.5° |
| C3 | C1 | C | 112.7° | 109.5° |
| C1 | C3 | C6 | 115.9° | 110.3° |
| C1 | C3 | H11 | 108.5° | 110.4° |
| C3 | C1 | H12 | 106.6° | 109.5° |
| C | C1 | H12 | 106.7° | 109.4° |
| C1 | C | H16 | 109.5° | 109.5° |
| C1 | C | H17 | 109.5° | 109.5° |
| C1 | C | H18 | 109.5° | 109.5° |
| C3 | C6 | C5 | 102.7° | 105.1° |
| C3 | C6 | C7 | 116.9° | 110.3° |
| C3 | C6 | H5 | 108.5° | 110.4° |
| C6 | C3 | H11 | 108.4° | 110.3° |
| C5 | C6 | C7 | 110.5° | 110.3° |
| C6 | C5 | H3 | 111.1° | 110.4° |
| C6 | C5 | H4 | 111.1° | 110.4° |
| C5 | C6 | H5 | 108.8° | 110.3° |
| C6 | C7 | O | 113.6° | 120.0° |
| C6 | C7 | O1 | 122.1° | 119.9° |
| C7 | C6 | H5 | 109.0° | 110.3° |
| O | C7 | O1 | 124.2° | 120.0° |
| C7 | O1 | H10 | 109.5° | 117.0° |
| H1 | C4 | H2 | 109.4° | 110.4° |
| H3 | C5 | H4 | 109.5° | 110.4° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H13 | C2 | H14 | 109.4° | 109.5° |
| H13 | C2 | H15 | 109.5° | 109.4° |
| H14 | C2 | H15 | 109.5° | 109.5° |
| H16 | C | H17 | 109.5° | 109.5° |
| H16 | C | H18 | 109.5° | 109.4° |
| H17 | C | H18 | 109.5° | 109.4° |
| H19 | C18 | H20 | 109.4° | 109.4° |
| H19 | C18 | H21 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.5° |
| H24 | C11 | H25 | 109.4° | 109.5° |
| H24 | C11 | H26 | 109.5° | 109.5° |
| H25 | C11 | H26 | 109.5° | 109.4° |
| H27 | C14 | H28 | 109.5° | 109.5° |
| H29 | C12 | H30 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C12 | C13 | 72.6° | 176.8° |
| C11 | C10 | C12 | C15 | 118.5° | 119.9° |
| C11 | C10 | C12 | N2 | 120.2° | 120.3° |
| C11 | C10 | C15 | N2 | 118.6° | 120.2° |
| C11 | C10 | C15 | C14 | 74.2° | 176.8° |
| C11 | C10 | N2 | C9 | 168.1° | 58.1° |
| C11 | C10 | C15 | H8 | 46.1° | 57.0° |
| C11 | C10 | C15 | H9 | 165.6° | 63.2° |
| C11 | C10 | N2 | H23 | 45.3° | 121.9° |
| C10 | C11 | H24 | H25 | 120.0° | 120.0° |
| C10 | C11 | H24 | H26 | 120.0° | 120.0° |
| C10 | C11 | H25 | H26 | 120.0° | 119.9° |
| C11 | C10 | C12 | H29 | 47.7° | 63.3° |
| C11 | C10 | C12 | H30 | 167.1° | 57.0° |
| C12 | C13 | O2 | H6 | 120.3° | 119.9° |
| C12 | C13 | O2 | H7 | 120.4° | 120.0° |
| C13 | C12 | C10 | H29 | 120.3° | 119.9° |
| C13 | C12 | C10 | H30 | 120.4° | 119.9° |
| C13 | C12 | C10 | C15 | 45.9° | 57.0° |
| C13 | C12 | C10 | N2 | 167.2° | 62.9° |
| C12 | C13 | O2 | C14 | 63.2° | 61.2° |
| C12 | C13 | H6 | H7 | 118.9° | 120.0° |
| C13 | C12 | H29 | H30 | 119.0° | 120.1° |
| O2 | C13 | C12 | C10 | 54.7° | 57.6° |
| C13 | O2 | C14 | C15 | 63.9° | 61.1° |
| O2 | C13 | H6 | H7 | 118.9° | 120.1° |
| C13 | O2 | C14 | H27 | 175.8° | 178.8° |
| C13 | O2 | C14 | H28 | 56.5° | 58.8° |
| O2 | C13 | C12 | H29 | 175.0° | 177.5° |
| O2 | C13 | C12 | H30 | 65.7° | 62.3° |
| C12 | C10 | C15 | N2 | 120.9° | 119.9° |
| C12 | C10 | C15 | C14 | 46.3° | 57.0° |
| C12 | C10 | N2 | C9 | 70.6° | 62.1° |
| C10 | C12 | C13 | H6 | 175.0° | 177.6° |
| C10 | C12 | C13 | H7 | 65.7° | 62.4° |
| C12 | C10 | C15 | H8 | 166.6° | 62.9° |
| C12 | C10 | C15 | H9 | 73.9° | 177.0° |
| C12 | C10 | N2 | H23 | 166.5° | 117.8° |
| C12 | C10 | C11 | H24 | 180.0° | 64.6° |
| C12 | C10 | C11 | H25 | 60.0° | 175.3° |
| C12 | C10 | C11 | H26 | 60.0° | 55.4° |
| C10 | C12 | H29 | H30 | 119.0° | 120.2° |
| C10 | C15 | C14 | O2 | 55.5° | 57.6° |
| C10 | C15 | C14 | H8 | 120.2° | 119.9° |
| C10 | C15 | C14 | H9 | 120.2° | 120.0° |
| C15 | C10 | N2 | C9 | 50.5° | 178.3° |
| C10 | C15 | H8 | H9 | 119.2° | 120.2° |
| C15 | C10 | N2 | H23 | 72.3° | 1.8° |
| C15 | C10 | C11 | H24 | 59.9° | 175.8° |
| C15 | C10 | C11 | H25 | 60.1° | 55.8° |
| C15 | C10 | C11 | H26 | 179.9° | 64.2° |
| C10 | C15 | C14 | H27 | 175.8° | 177.6° |
| C10 | C15 | C14 | H28 | 64.8° | 62.4° |
| C15 | C10 | C12 | H29 | 166.3° | 176.9° |
| C15 | C10 | C12 | H30 | 74.4° | 62.9° |
| N2 | C10 | C15 | C14 | 167.2° | 62.9° |
| C10 | N2 | C9 | H23 | 122.8° | 180.0° |
| C10 | N2 | C9 | C16 | 160.8° | 174.8° |
| C10 | N2 | C9 | N1 | 20.3° | 5.2° |
| N2 | C10 | C15 | H8 | 72.6° | 177.2° |
| N2 | C10 | C15 | H9 | 47.0° | 57.1° |
| N2 | C10 | C11 | H24 | 59.5° | 55.7° |
| N2 | C10 | C11 | H25 | 179.5° | 64.4° |
| N2 | C10 | C11 | H26 | 60.5° | 175.6° |
| N2 | C10 | C12 | H29 | 72.5° | 57.0° |
| N2 | C10 | C12 | H30 | 46.9° | 177.3° |
| O2 | C14 | C15 | H27 | 120.3° | 120.0° |
| O2 | C14 | C15 | H28 | 120.3° | 119.9° |
| C14 | O2 | C13 | H6 | 176.5° | 178.9° |
| C14 | O2 | C13 | H7 | 57.2° | 58.8° |
| O2 | C14 | C15 | H8 | 175.7° | 62.4° |
| O2 | C14 | C15 | H9 | 64.7° | 177.6° |
| O2 | C14 | H27 | H28 | 119.0° | 120.0° |
| C14 | C15 | H8 | H9 | 119.3° | 120.1° |
| C15 | C14 | H27 | H28 | 119.0° | 120.0° |
| N2 | C9 | C16 | N1 | 178.8° | 180.0° |
| N2 | C9 | C16 | C17 | 179.5° | 179.9° |
| N2 | C9 | N1 | C8 | 178.1° | 180.0° |
| N2 | C9 | C16 | H22 | 0.6° | 0.0° |
| C9 | C16 | C17 | H22 | 180.0° | 180.0° |
| C16 | C9 | N1 | C8 | 0.7° | 0.0° |
| C9 | C16 | C17 | C18 | 176.7° | 180.0° |
| C9 | C16 | C17 | C19 | 1.6° | 0.0° |
| C16 | C9 | N2 | H23 | 38.0° | 5.3° |
| N1 | C9 | C16 | C17 | 1.8° | 0.1° |
| C9 | N1 | C8 | C19 | 3.3° | 0.0° |
| C9 | N1 | C8 | N | 171.1° | 180.0° |
| N1 | C9 | C16 | H22 | 178.2° | 180.0° |
| N1 | C9 | N2 | H23 | 143.2° | 174.7° |
| C16 | C17 | C18 | C19 | 178.2° | 180.0° |
| C16 | C17 | C19 | C8 | 0.9° | 0.0° |
| C16 | C17 | C19 | C20 | 178.7° | 179.9° |
| C16 | C17 | C18 | H19 | 90.9° | 90.0° |
| C16 | C17 | C18 | H20 | 149.1° | 29.9° |
| C16 | C17 | C18 | H21 | 29.1° | 149.9° |
| N1 | C8 | C19 | C17 | 3.4° | 0.0° |
| N1 | C8 | C19 | N | 173.9° | 179.9° |
| N1 | C8 | N | C4 | 16.3° | 0.0° |
| N1 | C8 | C19 | C20 | 176.1° | 180.0° |
| N1 | C8 | N | C5 | 155.2° | 115.4° |
| C18 | C17 | C19 | C8 | 179.1° | 180.0° |
| C18 | C17 | C19 | C20 | 0.4° | 0.0° |
| C17 | C18 | H19 | H20 | 120.0° | 119.9° |
| C17 | C18 | H19 | H21 | 120.0° | 120.0° |
| C17 | C18 | H20 | H21 | 120.0° | 120.0° |
| C18 | C17 | C16 | H22 | 3.3° | 0.0° |
| C17 | C19 | C8 | C20 | 179.5° | 179.9° |
| C17 | C19 | C8 | N | 170.6° | 180.0° |
| C17 | C19 | C20 | N3 | 27.0° | 119.4° |
| C19 | C17 | C18 | H19 | 90.9° | 90.0° |
| C19 | C17 | C18 | H20 | 29.1° | 150.0° |
| C19 | C17 | C18 | H21 | 149.1° | 30.0° |
| C19 | C17 | C16 | H22 | 178.4° | 180.0° |
| C2 | C1 | C3 | C4 | 40.0° | 61.5° |
| C2 | C1 | C3 | C | 125.9° | 120.0° |
| C2 | C1 | C3 | H12 | 117.4° | 120.1° |
| C2 | C1 | C | H12 | 115.3° | 120.0° |
| C2 | C1 | C3 | C6 | 156.8° | 177.1° |
| C2 | C1 | C3 | H11 | 81.0° | 60.7° |
| C1 | C2 | H13 | H14 | 120.0° | 120.0° |
| C1 | C2 | H13 | H15 | 120.0° | 120.0° |
| C1 | C2 | H14 | H15 | 120.0° | 120.0° |
| C2 | C1 | C | H16 | 180.0° | 180.0° |
| C2 | C1 | C | H17 | 60.0° | 60.0° |
| C2 | C1 | C | H18 | 60.0° | 60.0° |
| C19 | C8 | N | C4 | 169.4° | 180.0° |
| C19 | C8 | N | C5 | 19.1° | 64.6° |
| C8 | C19 | C20 | N3 | 153.5° | 60.6° |
| C8 | N | C4 | C5 | 172.5° | 119.5° |
| C8 | N | C4 | C3 | 175.4° | 159.0° |
| N | C8 | C19 | C20 | 9.9° | 0.1° |
| C8 | N | C5 | C6 | 150.5° | 159.0° |
| C8 | N | C4 | H1 | 56.0° | 40.2° |
| C8 | N | C4 | H2 | 65.2° | 82.2° |
| C8 | N | C5 | H3 | 90.6° | 40.3° |
| C8 | N | C5 | H4 | 31.5° | 82.1° |
| N | C4 | C3 | H1 | 119.4° | 118.8° |
| N | C4 | C3 | H2 | 119.4° | 118.8° |
| N | C4 | C3 | C1 | 151.1° | 142.7° |
| N | C4 | C3 | C6 | 26.1° | 23.9° |
| C4 | N | C5 | C6 | 22.0° | 39.5° |
| N | C4 | H1 | H2 | 121.8° | 122.4° |
| C4 | N | C5 | H3 | 96.9° | 79.3° |
| C4 | N | C5 | H4 | 141.0° | 158.3° |
| N | C4 | C3 | H11 | 88.0° | 95.0° |
| C3 | C4 | N | C5 | 3.0° | 39.5° |
| C4 | C3 | C1 | C6 | 116.8° | 115.6° |
| C4 | C3 | C1 | H11 | 121.0° | 122.2° |
| C4 | C3 | C1 | C | 165.9° | 178.5° |
| C4 | C3 | C6 | H11 | 114.2° | 118.9° |
| C4 | C3 | C6 | C5 | 39.1° | 0.0° |
| C4 | C3 | C6 | C7 | 160.2° | 118.9° |
| C3 | C4 | H1 | H2 | 121.9° | 122.4° |
| C4 | C3 | C6 | H5 | 76.0° | 119.0° |
| C4 | C3 | C1 | H12 | 77.3° | 58.6° |
| N | C5 | C6 | C3 | 37.7° | 23.8° |
| N | C5 | C6 | H3 | 118.9° | 118.8° |
| N | C5 | C6 | H4 | 118.9° | 118.9° |
| N | C5 | C6 | C7 | 163.1° | 95.0° |
| C5 | N | C4 | H1 | 116.4° | 79.3° |
| C5 | N | C4 | H2 | 122.3° | 158.3° |
| N | C5 | H3 | H4 | 123.1° | 122.5° |
| N | C5 | C6 | H5 | 77.2° | 142.8° |
| C3 | C1 | C | H12 | 116.7° | 120.0° |
| C1 | C3 | C6 | H11 | 122.3° | 122.2° |
| C1 | C3 | C6 | C5 | 162.6° | 118.9° |
| C1 | C3 | C6 | C7 | 76.3° | 122.2° |
| C1 | C3 | C4 | H1 | 31.7° | 24.0° |
| C1 | C3 | C4 | H2 | 89.5° | 98.4° |
| C1 | C3 | C6 | H5 | 47.5° | 0.1° |
| C3 | C1 | C2 | H13 | 180.0° | 180.0° |
| C3 | C1 | C2 | H14 | 60.0° | 60.0° |
| C3 | C1 | C2 | H15 | 60.0° | 60.0° |
| C3 | C1 | C | H16 | 51.9° | 60.0° |
| C3 | C1 | C | H17 | 171.9° | 180.0° |
| C3 | C1 | C | H18 | 68.1° | 60.0° |
| C | C1 | C3 | C6 | 77.3° | 62.9° |
| C | C1 | C3 | H11 | 44.9° | 59.3° |
| C | C1 | C2 | H13 | 52.6° | 60.0° |
| C | C1 | C2 | H14 | 172.6° | 180.0° |
| C | C1 | C2 | H15 | 67.4° | 60.0° |
| C1 | C | H16 | H17 | 120.0° | 120.1° |
| C1 | C | H16 | H18 | 120.0° | 120.0° |
| C1 | C | H17 | H18 | 120.0° | 120.0° |
| C3 | C6 | C5 | C7 | 125.4° | 118.9° |
| C3 | C6 | C5 | H5 | 114.9° | 119.0° |
| C3 | C6 | C7 | H5 | 123.6° | 122.2° |
| C3 | C6 | C7 | O | 116.0° | 2.9° |
| C3 | C6 | C7 | O1 | 67.5° | 177.1° |
| C6 | C3 | C4 | H1 | 93.3° | 94.9° |
| C6 | C3 | C4 | H2 | 145.4° | 142.7° |
| C3 | C6 | C5 | H3 | 81.2° | 94.9° |
| C3 | C6 | C5 | H4 | 156.6° | 142.7° |
| C6 | C3 | C1 | H12 | 39.5° | 57.0° |
| C5 | C6 | C7 | H5 | 119.6° | 122.1° |
| C5 | C6 | C7 | O | 127.1° | 118.5° |
| C5 | C6 | C7 | O1 | 49.4° | 61.5° |
| C6 | C5 | H3 | H4 | 123.1° | 122.4° |
| C5 | C6 | C3 | H11 | 75.1° | 118.9° |
| C6 | C7 | O | O1 | 176.4° | 180.0° |
| C7 | C6 | C5 | H3 | 44.2° | 146.2° |
| C7 | C6 | C5 | H4 | 78.0° | 23.9° |
| C6 | C7 | O1 | H10 | 176.1° | 180.0° |
| C7 | C6 | C3 | H11 | 45.9° | 0.0° |
| O | C7 | C6 | H5 | 7.5° | 119.3° |
| O | C7 | O1 | H10 | 0.0° | 0.0° |
| O1 | C7 | C6 | H5 | 169.0° | 60.7° |
| H1 | C4 | C3 | H11 | 152.7° | 146.2° |
| H2 | C4 | C3 | H11 | 31.4° | 23.8° |
| H3 | C5 | C6 | H5 | 163.9° | 24.1° |
| H4 | C5 | C6 | H5 | 41.7° | 98.3° |
| H5 | C6 | C3 | H11 | 169.7° | 122.2° |
| H6 | C13 | C12 | H29 | 64.7° | 62.5° |
| H6 | C13 | C12 | H30 | 54.7° | 57.7° |
| H7 | C13 | C12 | H29 | 54.6° | 57.5° |
| H7 | C13 | C12 | H30 | 173.9° | 177.7° |
| H8 | C15 | C14 | H27 | 63.9° | 57.7° |
| H8 | C15 | C14 | H28 | 55.4° | 177.7° |
| H9 | C15 | C14 | H27 | 55.6° | 62.4° |
| H9 | C15 | C14 | H28 | 175.0° | 57.6° |
| H11 | C3 | C1 | H12 | 161.7° | 179.2° |
| H12 | C1 | C2 | H13 | 62.7° | 60.0° |
| H12 | C1 | C2 | H14 | 57.3° | 60.0° |
| H12 | C1 | C2 | H15 | 177.3° | 179.9° |
| H12 | C1 | C | H16 | 64.7° | 60.0° |
| H12 | C1 | C | H17 | 55.3° | 60.0° |
| H12 | C1 | C | H18 | 175.3° | 180.0° |
| H13 | C2 | H14 | H15 | 120.0° | 119.9° |
| H16 | C | H17 | H18 | 120.0° | 119.9° |
| H19 | C18 | H20 | H21 | 120.0° | 120.1° |
| H24 | C11 | H25 | H26 | 120.0° | 120.0° |
