I6S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| O06 | C05 | doub | 1.22Å | 1.22Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C28 | sing | 1.53Å | 1.53Å | |
| N15 | C16 | sing | 1.40Å | 1.41Å | |
| N15 | C13 | sing | 1.35Å | 1.39Å | |
| C08 | C09 | sing | 1.53Å | 1.57Å | |
| C08 | N07 | sing | 1.46Å | 1.42Å | |
| C08 | C13 | sing | 1.51Å | 1.53Å | |
| C05 | N07 | sing | 1.35Å | 1.37Å | |
| C05 | C04 | sing | 1.47Å | 1.46Å | |
| C16 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| N03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| N03 | C02 | sing | 1.33Å | 1.36Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C01 | C28 | sing | 1.53Å | 1.52Å | |
| C13 | O14 | doub | 1.21Å | 1.23Å | |
| C04 | C22 | doub | 1.37Å | 1.42Å | Aromatic |
| C02 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C24 | sing | 1.40Å | 1.44Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C24 | C25 | sing | 1.47Å | 1.48Å | |
| C27 | C25 | sing | 1.52Å | 1.53Å | |
| C25 | O26 | doub | 1.21Å | 1.21Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C01 | H24 | sing | 1.09Å | 1.10Å | |
| C01 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.09Å | 1.10Å | |
| C09 | H27 | sing | 1.09Å | 1.10Å | |
| C09 | H28 | sing | 1.09Å | 1.10Å | |
| N03 | H29 | sing | 0.97Å | 1.00Å | |
| N07 | H30 | sing | 0.97Å | 1.00Å | |
| N15 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 112.5° | 109.4° |
| C12 | C11 | H3 | 108.7° | 109.5° |
| C12 | C11 | H4 | 108.7° | 109.5° |
| C11 | C12 | H5 | 109.5° | 109.4° |
| C11 | C12 | H6 | 109.5° | 109.5° |
| C11 | C12 | H7 | 109.5° | 109.5° |
| C11 | C10 | C09 | 114.1° | 109.5° |
| C11 | C10 | H1 | 108.3° | 109.5° |
| C11 | C10 | H2 | 108.3° | 109.5° |
| C10 | C11 | H3 | 108.7° | 109.5° |
| C10 | C11 | H4 | 108.7° | 109.5° |
| C10 | C09 | C08 | 110.9° | 109.5° |
| C09 | C10 | H1 | 108.3° | 109.4° |
| C09 | C10 | H2 | 108.3° | 109.4° |
| C10 | C09 | H27 | 109.1° | 109.5° |
| C10 | C09 | H28 | 109.1° | 109.5° |
| O06 | C05 | N07 | 117.4° | 120.0° |
| O06 | C05 | C04 | 121.2° | 120.1° |
| C18 | C17 | C16 | 122.3° | 119.9° |
| C17 | C18 | C19 | 120.1° | 120.1° |
| C18 | C17 | H8 | 118.9° | 120.0° |
| C17 | C18 | H9 | 119.9° | 119.9° |
| C17 | C16 | N15 | 119.0° | 120.0° |
| C17 | C16 | C21 | 116.6° | 119.8° |
| C16 | C17 | H8 | 118.8° | 120.1° |
| C18 | C19 | C20 | 119.0° | 120.1° |
| C19 | C18 | H9 | 119.9° | 120.0° |
| C18 | C19 | H10 | 120.5° | 120.0° |
| C30 | C28 | C01 | 108.9° | 109.2° |
| C30 | C28 | C29 | 107.2° | 109.2° |
| C30 | C28 | C27 | 107.6° | 109.3° |
| C28 | C30 | H21 | 109.5° | 109.4° |
| C28 | C30 | H22 | 109.5° | 109.5° |
| C28 | C30 | H23 | 109.5° | 109.4° |
| C16 | N15 | C13 | 128.8° | 120.1° |
| N15 | C16 | C21 | 124.3° | 120.1° |
| C16 | N15 | H31 | 115.6° | 120.0° |
| N15 | C13 | C08 | 116.6° | 120.0° |
| N15 | C13 | O14 | 124.0° | 120.0° |
| C13 | N15 | H31 | 115.6° | 119.9° |
| C09 | C08 | N07 | 113.1° | 109.4° |
| C09 | C08 | C13 | 108.7° | 109.5° |
| C09 | C08 | H26 | 105.7° | 109.4° |
| C08 | C09 | H27 | 109.1° | 109.4° |
| C08 | C09 | H28 | 109.1° | 109.5° |
| N07 | C08 | C13 | 115.2° | 109.5° |
| C08 | N07 | C05 | 123.0° | 120.0° |
| N07 | C08 | H26 | 107.3° | 109.5° |
| C08 | N07 | H30 | 118.5° | 120.0° |
| C08 | C13 | O14 | 119.4° | 120.0° |
| C13 | C08 | H26 | 106.1° | 109.5° |
| N07 | C05 | C04 | 121.4° | 120.0° |
| C05 | N07 | H30 | 118.5° | 120.0° |
| C05 | C04 | N03 | 121.5° | 125.8° |
| C05 | C04 | C22 | 132.5° | 125.7° |
| C16 | C21 | C20 | 121.2° | 120.0° |
| C16 | C21 | H12 | 119.4° | 120.0° |
| C04 | N03 | C02 | 111.7° | 109.3° |
| N03 | C04 | C22 | 106.0° | 108.5° |
| C04 | N03 | H29 | 124.1° | 125.4° |
| N03 | C02 | C01 | 130.2° | 129.2° |
| N03 | C02 | C24 | 107.3° | 107.9° |
| C02 | N03 | H29 | 124.2° | 125.3° |
| C02 | C01 | C28 | 111.9° | 109.3° |
| C01 | C02 | C24 | 122.5° | 122.9° |
| C02 | C01 | H24 | 108.9° | 109.5° |
| C02 | C01 | H25 | 108.9° | 109.5° |
| C01 | C28 | C29 | 111.0° | 109.2° |
| C01 | C28 | C27 | 111.3° | 110.7° |
| C28 | C01 | H24 | 108.9° | 109.5° |
| C28 | C01 | H25 | 108.9° | 109.5° |
| C04 | C22 | C24 | 107.1° | 106.6° |
| C04 | C22 | C23 | 126.4° | 126.7° |
| C02 | C24 | C22 | 107.8° | 107.7° |
| C02 | C24 | C25 | 120.9° | 121.6° |
| C19 | C20 | C21 | 120.8° | 120.1° |
| C20 | C19 | H10 | 120.5° | 120.0° |
| C19 | C20 | H11 | 119.6° | 119.9° |
| C29 | C28 | C27 | 110.8° | 109.2° |
| C28 | C29 | H18 | 109.5° | 109.5° |
| C28 | C29 | H19 | 109.4° | 109.5° |
| C28 | C29 | H20 | 109.4° | 109.5° |
| C28 | C27 | C25 | 113.7° | 108.5° |
| C28 | C27 | H16 | 108.4° | 109.6° |
| C28 | C27 | H17 | 108.4° | 109.7° |
| C21 | C20 | H11 | 119.6° | 120.0° |
| C20 | C21 | H12 | 119.4° | 120.0° |
| C24 | C22 | C23 | 126.5° | 126.7° |
| C22 | C24 | C25 | 131.2° | 130.7° |
| C22 | C23 | H13 | 109.5° | 109.4° |
| C22 | C23 | H14 | 109.5° | 109.5° |
| C22 | C23 | H15 | 109.4° | 109.5° |
| C24 | C25 | C27 | 117.3° | 115.1° |
| C24 | C25 | O26 | 123.8° | 122.4° |
| C27 | C25 | O26 | 118.8° | 122.5° |
| C25 | C27 | H16 | 108.4° | 109.7° |
| C25 | C27 | H17 | 108.4° | 109.7° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.4° | 109.5° |
| H5 | C12 | H6 | 109.4° | 109.5° |
| H5 | C12 | H7 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.4° |
| H13 | C23 | H15 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.5° | 109.6° |
| H18 | C29 | H19 | 109.5° | 109.5° |
| H18 | C29 | H20 | 109.4° | 109.4° |
| H19 | C29 | H20 | 109.5° | 109.5° |
| H21 | C30 | H22 | 109.5° | 109.5° |
| H21 | C30 | H23 | 109.5° | 109.5° |
| H22 | C30 | H23 | 109.5° | 109.5° |
| H24 | C01 | H25 | 109.5° | 109.5° |
| H27 | C09 | H28 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | H3 | 120.5° | 120.0° |
| C12 | C11 | C10 | H4 | 120.5° | 120.0° |
| C12 | C11 | C10 | C09 | 52.3° | 180.0° |
| C12 | C11 | C10 | H1 | 68.4° | 60.0° |
| C12 | C11 | C10 | H2 | 173.0° | 60.0° |
| C12 | C11 | H3 | H4 | 118.6° | 120.1° |
| C11 | C12 | H5 | H6 | 120.0° | 120.0° |
| C11 | C12 | H5 | H7 | 120.0° | 120.0° |
| C11 | C12 | H6 | H7 | 120.0° | 120.1° |
| C11 | C10 | C09 | H1 | 120.7° | 120.0° |
| C11 | C10 | C09 | H2 | 120.7° | 120.0° |
| C11 | C10 | C09 | C08 | 80.8° | 180.0° |
| C11 | C10 | H1 | H2 | 117.9° | 120.1° |
| C10 | C11 | H3 | H4 | 118.6° | 120.0° |
| C10 | C11 | C12 | H5 | 180.0° | 180.0° |
| C10 | C11 | C12 | H6 | 60.0° | 60.0° |
| C10 | C11 | C12 | H7 | 60.0° | 60.0° |
| C11 | C10 | C09 | H27 | 39.4° | 60.0° |
| C11 | C10 | C09 | H28 | 158.9° | 60.0° |
| C10 | C09 | C08 | H27 | 120.2° | 120.1° |
| C10 | C09 | C08 | H28 | 120.2° | 120.0° |
| C10 | C09 | C08 | N07 | 72.4° | 65.0° |
| C10 | C09 | C08 | C13 | 158.3° | 175.0° |
| C09 | C10 | H1 | H2 | 117.9° | 119.9° |
| C09 | C10 | C11 | H3 | 172.8° | 60.0° |
| C09 | C10 | C11 | H4 | 68.2° | 60.0° |
| C10 | C09 | C08 | H26 | 44.8° | 55.0° |
| C10 | C09 | H27 | H28 | 119.3° | 120.0° |
| O06 | C05 | N07 | C08 | 1.3° | 0.1° |
| O06 | C05 | N07 | C04 | 179.1° | 179.9° |
| O06 | C05 | C04 | N03 | 0.8° | 179.6° |
| O06 | C05 | C04 | C22 | 178.9° | 0.0° |
| O06 | C05 | N07 | H30 | 178.8° | 180.0° |
| C18 | C17 | C16 | H8 | 180.0° | 180.0° |
| C17 | C18 | C19 | H9 | 180.0° | 179.9° |
| C18 | C17 | C16 | N15 | 178.0° | 179.7° |
| C18 | C17 | C16 | C21 | 2.4° | 0.1° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C17 | C18 | C19 | H10 | 179.7° | 179.9° |
| C16 | C17 | C18 | C19 | 1.2° | 0.1° |
| C17 | C16 | N15 | C21 | 175.3° | 179.8° |
| C17 | C16 | N15 | C13 | 163.2° | 35.3° |
| C17 | C16 | C21 | C20 | 2.0° | 0.0° |
| C16 | C17 | C18 | H9 | 178.8° | 180.0° |
| C17 | C16 | C21 | H12 | 178.0° | 180.0° |
| C17 | C16 | N15 | H31 | 16.8° | 144.7° |
| C18 | C19 | C20 | H10 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.7° | 0.0° |
| C19 | C18 | C17 | H8 | 178.8° | 180.0° |
| C18 | C19 | C20 | H11 | 179.4° | 179.9° |
| C30 | C28 | C01 | C02 | 68.7° | 173.1° |
| C30 | C28 | C01 | C29 | 117.7° | 119.4° |
| C30 | C28 | C01 | C27 | 118.4° | 120.4° |
| C30 | C28 | C29 | C27 | 117.1° | 119.5° |
| C30 | C28 | C27 | C25 | 66.6° | 174.7° |
| C30 | C28 | C27 | H16 | 54.1° | 55.0° |
| C30 | C28 | C27 | H17 | 172.9° | 65.4° |
| C30 | C28 | C29 | H18 | 180.0° | 59.4° |
| C30 | C28 | C29 | H19 | 60.0° | 60.6° |
| C30 | C28 | C29 | H20 | 60.0° | 179.4° |
| C28 | C30 | H21 | H22 | 120.0° | 120.0° |
| C28 | C30 | H21 | H23 | 120.0° | 119.9° |
| C28 | C30 | H22 | H23 | 120.0° | 120.0° |
| C30 | C28 | C01 | H24 | 51.6° | 66.9° |
| C30 | C28 | C01 | H25 | 170.9° | 53.1° |
| C16 | N15 | C13 | H31 | 180.0° | 180.0° |
| C16 | N15 | C13 | C08 | 175.1° | 175.4° |
| C16 | N15 | C13 | O14 | 3.9° | 4.6° |
| N15 | C16 | C21 | C20 | 177.4° | 179.8° |
| N15 | C16 | C17 | H8 | 2.0° | 0.2° |
| N15 | C16 | C21 | H12 | 2.6° | 0.2° |
| N15 | C13 | C08 | C09 | 75.2° | 60.0° |
| N15 | C13 | C08 | N07 | 156.6° | 180.0° |
| N15 | C13 | C08 | O14 | 179.1° | 180.0° |
| C13 | N15 | C16 | C21 | 12.1° | 144.9° |
| N15 | C13 | C08 | H26 | 38.0° | 59.9° |
| C09 | C08 | N07 | C13 | 125.9° | 120.0° |
| C09 | C08 | N07 | H26 | 116.2° | 119.9° |
| C09 | C08 | C13 | H26 | 113.3° | 120.0° |
| C09 | C08 | N07 | C05 | 159.0° | 85.0° |
| C09 | C08 | C13 | O14 | 103.8° | 120.0° |
| C08 | C09 | C10 | H1 | 158.5° | 60.0° |
| C08 | C09 | C10 | H2 | 39.9° | 60.0° |
| C08 | C09 | H27 | H28 | 119.3° | 119.9° |
| C09 | C08 | N07 | H30 | 21.0° | 95.0° |
| N07 | C08 | C13 | H26 | 118.6° | 120.1° |
| C08 | N07 | C05 | H30 | 180.0° | 179.9° |
| C08 | N07 | C05 | C04 | 177.8° | 180.0° |
| N07 | C08 | C13 | O14 | 24.3° | 0.1° |
| N07 | C08 | C09 | H27 | 167.4° | 174.9° |
| N07 | C08 | C09 | H28 | 47.9° | 55.0° |
| C13 | C08 | N07 | C05 | 75.1° | 155.0° |
| C13 | C08 | C09 | H27 | 38.1° | 55.0° |
| C13 | C08 | C09 | H28 | 81.4° | 64.9° |
| C13 | C08 | N07 | H30 | 104.9° | 24.9° |
| C08 | C13 | N15 | H31 | 4.9° | 4.6° |
| N07 | C05 | C04 | N03 | 178.2° | 0.4° |
| N07 | C05 | C04 | C22 | 0.2° | 179.9° |
| C05 | N07 | C08 | H26 | 42.8° | 34.9° |
| C05 | C04 | N03 | C22 | 178.5° | 179.6° |
| C05 | C04 | N03 | C02 | 179.0° | 179.9° |
| C05 | C04 | C22 | C24 | 178.8° | 180.0° |
| C05 | C04 | C22 | C23 | 1.6° | 0.3° |
| C05 | C04 | N03 | H29 | 1.0° | 0.4° |
| C04 | C05 | N07 | H30 | 2.1° | 0.0° |
| C16 | C21 | C20 | C19 | 0.6° | 0.0° |
| C16 | C21 | C20 | H12 | 180.0° | 180.0° |
| C21 | C16 | C17 | H8 | 177.6° | 180.0° |
| C16 | C21 | C20 | H11 | 179.4° | 179.9° |
| C21 | C16 | N15 | H31 | 167.9° | 35.1° |
| C04 | N03 | C02 | H29 | 180.0° | 179.7° |
| C04 | N03 | C02 | C01 | 179.8° | 179.9° |
| C04 | N03 | C02 | C24 | 0.3° | 0.1° |
| N03 | C04 | C22 | C24 | 0.4° | 0.4° |
| N03 | C04 | C22 | C23 | 180.0° | 180.0° |
| N03 | C02 | C01 | C24 | 179.9° | 180.0° |
| N03 | C02 | C01 | C28 | 155.6° | 159.6° |
| C02 | N03 | C04 | C22 | 0.5° | 0.3° |
| N03 | C02 | C24 | C22 | 0.0° | 0.2° |
| N03 | C02 | C24 | C25 | 179.2° | 179.7° |
| N03 | C02 | C01 | H24 | 35.3° | 39.6° |
| N03 | C02 | C01 | H25 | 84.0° | 80.5° |
| C02 | C01 | C28 | H24 | 120.4° | 120.0° |
| C02 | C01 | C28 | H25 | 120.4° | 119.9° |
| C02 | C01 | C28 | C29 | 173.5° | 67.6° |
| C02 | C01 | C28 | C27 | 49.7° | 52.7° |
| C01 | C02 | C24 | C22 | 179.9° | 179.8° |
| C01 | C02 | C24 | C25 | 0.9° | 0.3° |
| C02 | C01 | H24 | H25 | 118.9° | 120.1° |
| C01 | C02 | N03 | H29 | 0.2° | 0.3° |
| C28 | C01 | C02 | C24 | 24.2° | 20.4° |
| C01 | C28 | C29 | C27 | 124.1° | 121.1° |
| C01 | C28 | C27 | C25 | 52.6° | 64.9° |
| C01 | C28 | C27 | H16 | 173.3° | 175.3° |
| C01 | C28 | C27 | H17 | 68.0° | 54.9° |
| C01 | C28 | C29 | H18 | 61.2° | 178.8° |
| C01 | C28 | C29 | H19 | 178.8° | 58.8° |
| C01 | C28 | C29 | H20 | 58.8° | 61.2° |
| C01 | C28 | C30 | H21 | 180.0° | 61.2° |
| C01 | C28 | C30 | H22 | 60.0° | 58.8° |
| C01 | C28 | C30 | H23 | 60.0° | 178.8° |
| C28 | C01 | H24 | H25 | 118.9° | 120.1° |
| O14 | C13 | C08 | H26 | 142.9° | 120.0° |
| O14 | C13 | N15 | H31 | 176.1° | 175.3° |
| C04 | C22 | C24 | C02 | 0.3° | 0.4° |
| C04 | C22 | C24 | C23 | 179.6° | 179.6° |
| C04 | C22 | C24 | C25 | 178.8° | 179.5° |
| C04 | C22 | C23 | H13 | 90.2° | 90.4° |
| C04 | C22 | C23 | H14 | 149.7° | 29.6° |
| C04 | C22 | C23 | H15 | 29.8° | 149.7° |
| C22 | C04 | N03 | H29 | 179.5° | 180.0° |
| C02 | C24 | C22 | C25 | 179.1° | 179.9° |
| C02 | C24 | C22 | C23 | 179.9° | 180.0° |
| C02 | C24 | C25 | C27 | 1.1° | 11.4° |
| C02 | C24 | C25 | O26 | 179.7° | 168.6° |
| C24 | C02 | C01 | H24 | 144.6° | 140.4° |
| C24 | C02 | C01 | H25 | 96.2° | 99.5° |
| C24 | C02 | N03 | H29 | 179.7° | 179.7° |
| C19 | C20 | C21 | H11 | 180.0° | 179.9° |
| C20 | C19 | C18 | H9 | 179.7° | 180.0° |
| C19 | C20 | C21 | H12 | 179.4° | 180.0° |
| C29 | C28 | C27 | C25 | 176.6° | 55.3° |
| C29 | C28 | C27 | H16 | 62.7° | 64.4° |
| C29 | C28 | C27 | H17 | 56.0° | 175.1° |
| C28 | C29 | H18 | H19 | 120.0° | 120.0° |
| C28 | C29 | H18 | H20 | 120.0° | 120.0° |
| C28 | C29 | H19 | H20 | 120.0° | 120.0° |
| C29 | C28 | C30 | H21 | 59.8° | 179.4° |
| C29 | C28 | C30 | H22 | 179.8° | 60.6° |
| C29 | C28 | C30 | H23 | 60.2° | 59.5° |
| C29 | C28 | C01 | H24 | 66.1° | 52.4° |
| C29 | C28 | C01 | H25 | 53.1° | 172.5° |
| C28 | C27 | C25 | C24 | 28.0° | 42.7° |
| C28 | C27 | C25 | H16 | 120.6° | 119.7° |
| C28 | C27 | C25 | H17 | 120.6° | 119.8° |
| C28 | C27 | C25 | O26 | 153.2° | 137.2° |
| C28 | C27 | H16 | H17 | 118.1° | 120.5° |
| C27 | C28 | C29 | H18 | 62.9° | 60.0° |
| C27 | C28 | C29 | H19 | 57.1° | 180.0° |
| C27 | C28 | C29 | H20 | 177.1° | 59.9° |
| C27 | C28 | C30 | H21 | 59.3° | 60.0° |
| C27 | C28 | C30 | H22 | 60.7° | 180.0° |
| C27 | C28 | C30 | H23 | 179.3° | 60.0° |
| C27 | C28 | C01 | H24 | 170.0° | 172.7° |
| C27 | C28 | C01 | H25 | 70.7° | 67.2° |
| C21 | C20 | C19 | H10 | 179.3° | 180.0° |
| C22 | C24 | C25 | C27 | 177.9° | 168.4° |
| C22 | C24 | C25 | O26 | 0.7° | 11.6° |
| C24 | C22 | C23 | H13 | 90.2° | 90.1° |
| C24 | C22 | C23 | H14 | 29.8° | 150.0° |
| C24 | C22 | C23 | H15 | 149.8° | 29.9° |
| C23 | C22 | C24 | C25 | 0.8° | 0.2° |
| C22 | C23 | H13 | H14 | 120.0° | 120.0° |
| C22 | C23 | H13 | H15 | 120.0° | 120.0° |
| C22 | C23 | H14 | H15 | 120.0° | 120.1° |
| C24 | C25 | C27 | O26 | 178.7° | 180.0° |
| C24 | C25 | C27 | H16 | 148.6° | 162.4° |
| C24 | C25 | C27 | H17 | 92.6° | 77.1° |
| C25 | C27 | H16 | H17 | 118.1° | 120.5° |
| O26 | C25 | C27 | H16 | 32.6° | 17.5° |
| O26 | C25 | C27 | H17 | 86.2° | 102.9° |
| H1 | C10 | C11 | H3 | 52.1° | 60.0° |
| H1 | C10 | C11 | H4 | 171.1° | 180.0° |
| H1 | C10 | C09 | H27 | 81.3° | 180.0° |
| H1 | C10 | C09 | H28 | 38.3° | 60.1° |
| H2 | C10 | C11 | H3 | 66.5° | 180.0° |
| H2 | C10 | C11 | H4 | 52.5° | 60.0° |
| H2 | C10 | C09 | H27 | 160.1° | 60.0° |
| H2 | C10 | C09 | H28 | 80.3° | 180.0° |
| H3 | C11 | C12 | H5 | 59.5° | 60.0° |
| H3 | C11 | C12 | H6 | 60.5° | 180.0° |
| H3 | C11 | C12 | H7 | 179.5° | 60.0° |
| H4 | C11 | C12 | H5 | 59.6° | 60.0° |
| H4 | C11 | C12 | H6 | 179.5° | 60.0° |
| H4 | C11 | C12 | H7 | 60.4° | 180.0° |
| H5 | C12 | H6 | H7 | 120.0° | 120.0° |
| H8 | C17 | C18 | H9 | 1.2° | 0.0° |
| H9 | C18 | C19 | H10 | 0.3° | 0.0° |
| H10 | C19 | C20 | H11 | 0.6° | 0.0° |
| H11 | C20 | C21 | H12 | 0.6° | 0.1° |
| H13 | C23 | H14 | H15 | 120.0° | 120.0° |
| H18 | C29 | H19 | H20 | 120.0° | 119.9° |
| H21 | C30 | H22 | H23 | 120.0° | 120.1° |
| H26 | C08 | C09 | H27 | 75.4° | 65.0° |
| H26 | C08 | C09 | H28 | 165.0° | 175.0° |
| H26 | C08 | N07 | H30 | 137.2° | 145.0° |
