IS4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | O | sing | 1.43Å | 1.43Å | |
| O | C1 | sing | 1.36Å | 1.37Å | |
| BR | C | sing | 1.89Å | 1.88Å | |
| C1 | C | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | O3 | sing | 1.36Å | 1.37Å | |
| C21 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| N4 | C19 | sing | 1.35Å | 1.33Å | |
| C4 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.48Å | |
| O3 | C22 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C19 | C18 | sing | 1.47Å | 1.47Å | |
| C19 | O2 | doub | 1.22Å | 1.25Å | |
| C5 | C18 | sing | 1.47Å | 1.43Å | Aromatic |
| C5 | N | doub | 1.31Å | 1.33Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | N3 | sing | 1.47Å | 1.46Å | |
| C18 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C10 | sing | 1.53Å | 1.53Å | |
| N | N1 | sing | 1.40Å | 1.37Å | Aromatic |
| C13 | N3 | sing | 1.35Å | 1.35Å | |
| C13 | O1 | doub | 1.21Å | 1.22Å | |
| C6 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| C6 | N2 | sing | 1.38Å | 1.34Å | |
| N3 | C12 | sing | 1.47Å | 1.47Å | |
| N1 | C9 | sing | 1.47Å | 1.47Å | |
| N2 | C7 | sing | 1.47Å | 1.46Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.54Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 1.01Å | 1.00Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.08Å | 1.08Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O | C1 | 117.5° | 117.0° |
| O | C2 | H8 | 109.5° | 109.5° |
| O | C2 | H9 | 109.5° | 109.5° |
| O | C2 | H10 | 109.4° | 109.5° |
| O | C1 | C | 116.4° | 119.9° |
| O | C1 | C3 | 124.3° | 120.0° |
| BR | C | C1 | 118.3° | 119.9° |
| BR | C | C21 | 120.2° | 119.9° |
| C | C1 | C3 | 119.3° | 120.1° |
| C1 | C | C21 | 121.4° | 120.1° |
| C1 | C3 | C4 | 119.9° | 120.0° |
| C1 | C3 | H7 | 120.1° | 120.0° |
| C | C21 | O3 | 116.6° | 120.0° |
| C | C21 | C20 | 119.1° | 120.1° |
| C3 | C4 | C20 | 120.3° | 119.8° |
| C3 | C4 | C5 | 120.3° | 120.1° |
| C4 | C3 | H7 | 120.0° | 120.0° |
| O3 | C21 | C20 | 124.3° | 120.0° |
| C21 | O3 | C22 | 117.1° | 117.0° |
| C21 | C20 | C4 | 120.0° | 119.9° |
| C21 | C20 | H27 | 120.0° | 120.0° |
| N4 | C19 | C18 | 118.9° | 120.1° |
| N4 | C19 | O2 | 121.8° | 120.0° |
| C19 | N4 | H11 | 120.0° | 119.9° |
| C19 | N4 | H12 | 120.0° | 120.0° |
| C20 | C4 | C5 | 119.3° | 120.0° |
| C4 | C20 | H27 | 120.0° | 120.1° |
| C4 | C5 | C18 | 130.2° | 126.4° |
| C4 | C5 | N | 118.7° | 126.4° |
| O3 | C22 | H28 | 109.5° | 109.5° |
| O3 | C22 | H29 | 109.5° | 109.5° |
| O3 | C22 | H30 | 109.5° | 109.5° |
| C15 | C14 | C13 | 111.1° | 109.5° |
| C15 | C14 | H18 | 109.0° | 109.4° |
| C15 | C14 | H19 | 109.1° | 109.5° |
| C14 | C15 | H20 | 109.5° | 109.4° |
| C14 | C15 | H21 | 109.5° | 109.5° |
| C14 | C15 | H22 | 109.5° | 109.5° |
| C14 | C13 | N3 | 118.8° | 120.0° |
| C14 | C13 | O1 | 119.3° | 120.0° |
| C13 | C14 | H18 | 109.1° | 109.4° |
| C13 | C14 | H19 | 109.0° | 109.5° |
| C18 | C19 | O2 | 119.3° | 120.0° |
| C19 | C18 | C5 | 134.6° | 126.9° |
| C19 | C18 | C6 | 121.1° | 126.9° |
| C18 | C5 | N | 110.8° | 107.2° |
| C5 | C18 | C6 | 104.3° | 106.2° |
| C5 | N | N1 | 105.8° | 109.4° |
| C17 | C16 | N3 | 110.8° | 108.8° |
| C16 | C17 | C10 | 110.9° | 109.3° |
| C17 | C16 | H23 | 109.1° | 109.6° |
| C17 | C16 | H24 | 109.1° | 109.6° |
| C16 | C17 | H25 | 109.1° | 109.5° |
| C16 | C17 | H26 | 109.1° | 109.5° |
| C16 | N3 | C13 | 127.6° | 120.7° |
| C16 | N3 | C12 | 111.0° | 118.7° |
| N3 | C16 | H23 | 109.1° | 109.6° |
| N3 | C16 | H24 | 109.1° | 109.5° |
| C18 | C6 | N1 | 107.3° | 107.7° |
| C18 | C6 | N2 | 132.3° | 127.0° |
| C17 | C10 | C9 | 113.0° | 109.6° |
| C17 | C10 | C11 | 109.7° | 109.6° |
| C17 | C10 | H13 | 107.8° | 109.2° |
| C10 | C17 | H25 | 109.1° | 109.5° |
| C10 | C17 | H26 | 109.1° | 109.5° |
| N | N1 | C6 | 111.7° | 109.5° |
| N | N1 | C9 | 123.6° | 126.5° |
| N3 | C13 | O1 | 121.9° | 120.0° |
| C13 | N3 | C12 | 121.4° | 120.6° |
| N1 | C6 | N2 | 120.4° | 125.3° |
| C6 | N1 | C9 | 124.5° | 123.9° |
| C6 | N2 | C7 | 121.9° | 110.8° |
| C6 | N2 | H5 | 106.3° | 111.0° |
| N3 | C12 | C11 | 110.4° | 108.7° |
| N3 | C12 | H16 | 109.3° | 109.7° |
| N3 | C12 | H17 | 109.2° | 109.6° |
| N1 | C9 | C10 | 114.8° | 109.8° |
| N1 | C9 | C8 | 108.0° | 107.8° |
| N1 | C9 | H6 | 106.7° | 109.8° |
| N2 | C7 | C8 | 110.5° | 109.4° |
| N2 | C7 | H1 | 109.2° | 109.5° |
| N2 | C7 | H2 | 109.2° | 109.4° |
| C7 | N2 | H5 | 106.2° | 110.9° |
| C9 | C10 | C11 | 110.4° | 109.5° |
| C10 | C9 | C8 | 114.6° | 109.8° |
| C10 | C9 | H6 | 106.0° | 109.8° |
| C9 | C10 | H13 | 107.9° | 109.5° |
| C10 | C11 | C12 | 111.0° | 109.6° |
| C11 | C10 | H13 | 107.9° | 109.5° |
| C10 | C11 | H14 | 109.1° | 109.5° |
| C10 | C11 | H15 | 109.1° | 109.5° |
| C9 | C8 | C7 | 111.2° | 108.8° |
| C9 | C8 | H3 | 109.0° | 109.5° |
| C9 | C8 | H4 | 109.0° | 109.7° |
| C8 | C9 | H6 | 106.1° | 109.7° |
| C8 | C7 | H1 | 109.2° | 109.5° |
| C8 | C7 | H2 | 109.2° | 109.5° |
| C7 | C8 | H3 | 109.0° | 109.6° |
| C7 | C8 | H4 | 109.0° | 109.6° |
| C12 | C11 | H14 | 109.1° | 109.3° |
| C12 | C11 | H15 | 109.1° | 109.4° |
| C11 | C12 | H16 | 109.2° | 109.6° |
| C11 | C12 | H17 | 109.3° | 109.6° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.6° |
| H8 | C2 | H9 | 109.4° | 109.5° |
| H8 | C2 | H10 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.5° | 109.5° |
| H11 | N4 | H12 | 120.0° | 120.0° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.7° |
| H18 | C14 | H19 | 109.5° | 109.4° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H22 | 109.5° | 109.4° |
| H21 | C15 | H22 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.7° |
| H25 | C17 | H26 | 109.4° | 109.5° |
| H28 | C22 | H29 | 109.4° | 109.4° |
| H28 | C22 | H30 | 109.5° | 109.4° |
| H29 | C22 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | O | C1 | C | 165.7° | 180.0° |
| C2 | O | C1 | C3 | 13.1° | 0.3° |
| O | C2 | H8 | H9 | 120.0° | 120.0° |
| O | C2 | H8 | H10 | 120.0° | 120.0° |
| O | C2 | H9 | H10 | 120.0° | 120.0° |
| O | C1 | C | BR | 8.7° | 0.3° |
| O | C1 | C | C3 | 178.9° | 179.7° |
| O | C1 | C | C21 | 176.4° | 179.7° |
| O | C1 | C3 | C4 | 177.8° | 179.7° |
| O | C1 | C3 | H7 | 2.2° | 0.4° |
| C1 | O | C2 | H8 | 180.0° | 60.1° |
| C1 | O | C2 | H9 | 60.0° | 60.0° |
| C1 | O | C2 | H10 | 60.0° | 180.0° |
| BR | C | C1 | C21 | 174.8° | 179.9° |
| BR | C | C1 | C3 | 172.4° | 180.0° |
| BR | C | C21 | O3 | 9.5° | 0.0° |
| BR | C | C21 | C20 | 172.1° | 180.0° |
| C | C1 | C3 | C4 | 1.0° | 0.0° |
| C1 | C | C21 | O3 | 175.8° | 180.0° |
| C1 | C | C21 | C20 | 2.6° | 0.1° |
| C | C1 | C3 | H7 | 179.0° | 180.0° |
| C3 | C1 | C | C21 | 2.4° | 0.0° |
| C1 | C3 | C4 | H7 | 180.0° | 180.0° |
| C1 | C3 | C4 | C20 | 0.2° | 0.0° |
| C1 | C3 | C4 | C5 | 176.5° | 180.0° |
| C | C21 | O3 | C20 | 178.3° | 180.0° |
| C | C21 | C20 | C4 | 1.4° | 0.1° |
| C | C21 | O3 | C22 | 178.0° | 180.0° |
| C | C21 | C20 | H27 | 178.6° | 180.0° |
| C3 | C4 | C20 | C21 | 0.0° | 0.0° |
| C3 | C4 | C20 | C5 | 176.4° | 180.0° |
| C3 | C4 | C5 | C18 | 131.4° | 35.0° |
| C3 | C4 | C5 | N | 55.2° | 145.0° |
| C3 | C4 | C20 | H27 | 180.0° | 180.0° |
| O3 | C21 | C20 | C4 | 176.9° | 180.0° |
| O3 | C21 | C20 | H27 | 3.1° | 0.0° |
| C21 | O3 | C22 | H28 | 180.0° | 60.0° |
| C21 | O3 | C22 | H29 | 60.0° | 59.9° |
| C21 | O3 | C22 | H30 | 60.0° | 180.0° |
| C21 | C20 | C4 | H27 | 180.0° | 180.0° |
| C21 | C20 | C4 | C5 | 176.3° | 179.9° |
| C20 | C21 | O3 | C22 | 3.7° | 0.0° |
| N4 | C19 | C18 | O2 | 178.1° | 180.0° |
| N4 | C19 | C18 | C5 | 7.4° | 90.0° |
| N4 | C19 | C18 | C6 | 171.6° | 90.0° |
| C19 | N4 | H11 | H12 | 180.0° | 180.0° |
| C20 | C4 | C5 | C18 | 52.2° | 145.0° |
| C20 | C4 | C5 | N | 121.2° | 35.0° |
| C20 | C4 | C3 | H7 | 179.8° | 180.0° |
| C4 | C5 | C18 | C19 | 8.3° | 0.0° |
| C4 | C5 | C18 | N | 173.8° | 180.0° |
| C4 | C5 | C18 | C6 | 172.6° | 180.0° |
| C4 | C5 | N | N1 | 173.5° | 179.9° |
| C5 | C4 | C3 | H7 | 3.5° | 0.1° |
| C5 | C4 | C20 | H27 | 3.7° | 0.0° |
| O3 | C22 | H28 | H29 | 120.0° | 120.0° |
| O3 | C22 | H28 | H30 | 120.0° | 120.0° |
| O3 | C22 | H29 | H30 | 120.0° | 120.1° |
| C15 | C14 | C13 | H18 | 120.2° | 120.0° |
| C15 | C14 | C13 | H19 | 120.3° | 120.1° |
| C15 | C14 | C13 | N3 | 140.5° | 180.0° |
| C15 | C14 | C13 | O1 | 38.9° | 0.1° |
| C15 | C14 | H18 | H19 | 119.2° | 120.0° |
| C14 | C15 | H20 | H21 | 120.0° | 120.0° |
| C14 | C15 | H20 | H22 | 120.0° | 119.9° |
| C14 | C15 | H21 | H22 | 120.0° | 120.0° |
| C14 | C13 | N3 | C16 | 8.9° | 0.3° |
| C14 | C13 | N3 | O1 | 179.4° | 179.9° |
| C14 | C13 | N3 | C12 | 173.2° | 180.0° |
| C13 | C14 | H18 | H19 | 119.2° | 120.0° |
| C13 | C14 | C15 | H20 | 180.0° | 60.1° |
| C13 | C14 | C15 | H21 | 60.0° | 59.9° |
| C13 | C14 | C15 | H22 | 60.0° | 180.0° |
| C19 | C18 | C5 | C6 | 179.1° | 180.0° |
| C19 | C18 | C5 | N | 177.9° | 180.0° |
| C19 | C18 | C6 | N1 | 178.5° | 179.9° |
| C19 | C18 | C6 | N2 | 0.3° | 0.0° |
| C18 | C19 | N4 | H11 | 178.0° | 0.0° |
| C18 | C19 | N4 | H12 | 1.9° | 180.0° |
| O2 | C19 | C18 | C5 | 170.6° | 90.1° |
| O2 | C19 | C18 | C6 | 10.3° | 90.0° |
| O2 | C19 | N4 | H11 | 0.0° | 180.0° |
| O2 | C19 | N4 | H12 | 180.0° | 0.0° |
| C18 | C5 | N | N1 | 1.1° | 0.1° |
| C5 | C18 | C6 | N1 | 0.8° | 0.1° |
| C5 | C18 | C6 | N2 | 179.6° | 179.9° |
| N | C5 | C18 | C6 | 1.2° | 0.0° |
| C5 | N | N1 | C6 | 0.6° | 0.2° |
| C5 | N | N1 | C9 | 175.3° | 180.0° |
| C17 | C16 | N3 | H23 | 120.2° | 119.9° |
| C17 | C16 | N3 | H24 | 120.2° | 119.7° |
| C16 | C17 | C10 | H25 | 120.2° | 119.9° |
| C16 | C17 | C10 | H26 | 120.2° | 119.9° |
| C17 | C16 | N3 | C13 | 117.7° | 126.1° |
| C17 | C16 | N3 | C12 | 60.3° | 53.6° |
| C16 | C17 | C10 | C9 | 176.6° | 178.6° |
| C16 | C17 | C10 | C11 | 53.0° | 61.2° |
| C16 | C17 | C10 | H13 | 64.2° | 58.7° |
| C17 | C16 | H23 | H24 | 119.4° | 120.4° |
| C16 | C17 | H25 | H26 | 119.3° | 120.1° |
| N3 | C16 | C17 | C10 | 56.5° | 54.7° |
| C16 | N3 | C13 | C12 | 177.8° | 179.7° |
| C16 | N3 | C13 | O1 | 170.4° | 179.8° |
| C16 | N3 | C12 | C11 | 60.8° | 53.3° |
| C16 | N3 | C12 | H16 | 179.0° | 173.2° |
| C16 | N3 | C12 | H17 | 59.3° | 66.4° |
| N3 | C16 | H23 | H24 | 119.4° | 120.3° |
| N3 | C16 | C17 | H25 | 176.8° | 65.3° |
| N3 | C16 | C17 | H26 | 63.7° | 174.6° |
| C18 | C6 | N1 | N | 0.2° | 0.2° |
| C18 | C6 | N1 | N2 | 178.9° | 180.0° |
| C18 | C6 | N1 | C9 | 176.0° | 180.0° |
| C18 | C6 | N2 | C7 | 175.0° | 161.9° |
| C18 | C6 | N2 | H5 | 53.3° | 38.2° |
| C17 | C10 | C9 | N1 | 61.8° | 173.5° |
| C17 | C10 | C9 | C11 | 123.2° | 120.3° |
| C17 | C10 | C9 | H13 | 119.1° | 119.7° |
| C17 | C10 | C11 | H13 | 117.2° | 119.7° |
| C17 | C10 | C9 | C8 | 64.1° | 55.2° |
| C17 | C10 | C11 | C12 | 53.7° | 61.1° |
| C17 | C10 | C9 | H6 | 179.3° | 65.6° |
| C17 | C10 | C11 | H14 | 173.9° | 178.9° |
| C17 | C10 | C11 | H15 | 66.5° | 58.9° |
| C10 | C17 | C16 | H23 | 176.7° | 65.2° |
| C10 | C17 | C16 | H24 | 63.7° | 174.4° |
| C10 | C17 | H25 | H26 | 119.4° | 120.1° |
| N | N1 | C6 | C9 | 175.8° | 179.8° |
| N | N1 | C6 | N2 | 179.1° | 179.8° |
| N | N1 | C9 | C10 | 27.9° | 45.4° |
| N | N1 | C9 | C8 | 157.2° | 165.0° |
| N | N1 | C9 | H6 | 89.1° | 75.5° |
| C13 | N3 | C12 | C11 | 117.3° | 126.4° |
| C13 | N3 | C12 | H16 | 2.8° | 6.6° |
| C13 | N3 | C12 | H17 | 122.5° | 113.9° |
| N3 | C13 | C14 | H18 | 99.3° | 60.0° |
| N3 | C13 | C14 | H19 | 20.2° | 59.9° |
| C13 | N3 | C16 | H23 | 2.5° | 114.1° |
| C13 | N3 | C16 | H24 | 122.1° | 6.3° |
| O1 | C13 | N3 | C12 | 7.4° | 0.0° |
| O1 | C13 | C14 | H18 | 81.3° | 120.0° |
| O1 | C13 | C14 | H19 | 159.2° | 120.0° |
| N1 | C6 | N2 | C7 | 6.4° | 18.2° |
| C6 | N1 | C9 | C10 | 156.7° | 134.9° |
| C6 | N1 | C9 | C8 | 27.5° | 15.3° |
| N1 | C6 | N2 | H5 | 128.1° | 141.9° |
| C6 | N1 | C9 | H6 | 86.2° | 104.2° |
| N2 | C6 | N1 | C9 | 5.0° | 0.1° |
| C6 | N2 | C7 | H5 | 121.7° | 123.7° |
| C6 | N2 | C7 | C8 | 30.6° | 50.6° |
| C6 | N2 | C7 | H1 | 89.5° | 170.7° |
| C6 | N2 | C7 | H2 | 150.8° | 69.3° |
| N3 | C12 | C11 | C10 | 57.7° | 54.3° |
| N3 | C12 | C11 | H16 | 120.2° | 119.9° |
| N3 | C12 | C11 | H17 | 120.1° | 119.7° |
| N3 | C12 | C11 | H14 | 178.0° | 174.4° |
| N3 | C12 | C11 | H15 | 62.5° | 65.7° |
| N3 | C12 | H16 | H17 | 119.6° | 120.4° |
| C12 | N3 | C16 | H23 | 179.5° | 66.2° |
| C12 | N3 | C16 | H24 | 59.8° | 173.4° |
| N1 | C9 | C10 | C8 | 125.9° | 118.4° |
| N1 | C9 | C10 | H6 | 117.5° | 120.9° |
| N1 | C9 | C10 | C11 | 174.9° | 66.2° |
| N1 | C9 | C8 | H6 | 114.0° | 119.6° |
| N1 | C9 | C8 | C7 | 49.9° | 46.6° |
| N1 | C9 | C8 | H3 | 70.3° | 166.4° |
| N1 | C9 | C8 | H4 | 170.2° | 73.3° |
| N1 | C9 | C10 | H13 | 57.3° | 53.8° |
| N2 | C7 | C8 | C9 | 52.6° | 67.4° |
| N2 | C7 | C8 | H1 | 120.2° | 120.0° |
| N2 | C7 | C8 | H2 | 120.2° | 119.9° |
| N2 | C7 | H1 | H2 | 119.5° | 120.0° |
| N2 | C7 | C8 | H3 | 67.7° | 172.8° |
| N2 | C7 | C8 | H4 | 172.8° | 52.5° |
| C9 | C10 | C11 | H13 | 117.7° | 120.0° |
| C10 | C9 | C8 | H6 | 116.6° | 120.8° |
| C10 | C9 | C8 | C7 | 179.3° | 166.2° |
| C9 | C10 | C11 | C12 | 178.8° | 178.6° |
| C10 | C9 | C8 | H3 | 59.0° | 74.0° |
| C10 | C9 | C8 | H4 | 60.5° | 46.3° |
| C9 | C10 | C11 | H14 | 61.0° | 58.7° |
| C9 | C10 | C11 | H15 | 58.6° | 61.4° |
| C9 | C10 | C17 | H25 | 63.2° | 61.5° |
| C9 | C10 | C17 | H26 | 56.4° | 58.7° |
| C11 | C10 | C9 | C8 | 59.2° | 175.4° |
| C10 | C11 | C12 | H14 | 120.2° | 120.1° |
| C10 | C11 | C12 | H15 | 120.2° | 120.1° |
| C11 | C10 | C9 | H6 | 57.5° | 54.7° |
| C10 | C11 | H14 | H15 | 119.3° | 120.1° |
| C10 | C11 | C12 | H16 | 177.9° | 174.2° |
| C10 | C11 | C12 | H17 | 62.4° | 65.4° |
| C11 | C10 | C17 | H25 | 173.2° | 58.7° |
| C11 | C10 | C17 | H26 | 67.2° | 178.8° |
| C9 | C8 | C7 | H3 | 120.2° | 119.7° |
| C9 | C8 | C7 | H4 | 120.3° | 119.9° |
| C9 | C8 | C7 | H1 | 67.6° | 172.6° |
| C9 | C8 | C7 | H2 | 172.8° | 52.5° |
| C9 | C8 | H3 | H4 | 119.2° | 120.4° |
| C8 | C9 | C10 | H13 | 176.9° | 64.6° |
| C8 | C7 | H1 | H2 | 119.5° | 120.0° |
| C7 | C8 | H3 | H4 | 119.2° | 120.3° |
| C8 | C7 | N2 | H5 | 152.3° | 174.4° |
| C7 | C8 | C9 | H6 | 64.1° | 73.0° |
| C12 | C11 | C10 | H13 | 63.5° | 58.6° |
| C12 | C11 | H14 | H15 | 119.3° | 119.8° |
| C11 | C12 | H16 | H17 | 119.6° | 120.3° |
| H1 | C7 | C8 | H3 | 172.2° | 52.8° |
| H1 | C7 | C8 | H4 | 52.7° | 67.5° |
| H1 | C7 | N2 | H5 | 32.2° | 65.6° |
| H2 | C7 | C8 | H3 | 52.5° | 67.2° |
| H2 | C7 | C8 | H4 | 67.0° | 172.4° |
| H2 | C7 | N2 | H5 | 87.5° | 54.4° |
| H3 | C8 | C9 | H6 | 175.6° | 46.8° |
| H4 | C8 | C9 | H6 | 56.2° | 167.1° |
| H6 | C9 | C10 | H13 | 60.2° | 174.7° |
| H8 | C2 | H9 | H10 | 120.0° | 120.0° |
| H13 | C10 | C11 | H14 | 56.7° | 61.3° |
| H13 | C10 | C11 | H15 | 176.3° | 178.6° |
| H13 | C10 | C17 | H25 | 56.0° | 178.6° |
| H13 | C10 | C17 | H26 | 175.5° | 61.3° |
| H14 | C11 | C12 | H16 | 61.9° | 65.7° |
| H14 | C11 | C12 | H17 | 57.8° | 54.7° |
| H15 | C11 | C12 | H16 | 57.7° | 54.1° |
| H15 | C11 | C12 | H17 | 177.4° | 174.5° |
| H18 | C14 | C15 | H20 | 59.8° | 180.0° |
| H18 | C14 | C15 | H21 | 60.3° | 60.0° |
| H18 | C14 | C15 | H22 | 179.8° | 60.0° |
| H19 | C14 | C15 | H20 | 59.7° | 60.0° |
| H19 | C14 | C15 | H21 | 179.8° | 180.0° |
| H19 | C14 | C15 | H22 | 60.3° | 59.9° |
| H20 | C15 | H21 | H22 | 120.0° | 120.0° |
| H23 | C16 | C17 | H25 | 63.1° | 174.9° |
| H23 | C16 | C17 | H26 | 56.5° | 54.8° |
| H24 | C16 | C17 | H25 | 56.6° | 54.4° |
| H24 | C16 | C17 | H26 | 176.1° | 65.7° |
| H28 | C22 | H29 | H30 | 120.0° | 119.9° |
