A87
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.58Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C15 | N05 | sing | 1.47Å | 1.58Å | |
| C17 | C18 | doub | 1.34Å | 1.36Å | Aromatic |
| C17 | C21 | sing | 1.47Å | 1.48Å | Aromatic |
| C18 | N19 | sing | 1.37Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.41Å | 1.47Å | Aromatic |
| C22 | C23 | sing | 1.37Å | 1.35Å | Aromatic |
| N19 | C20 | sing | 1.38Å | 1.47Å | Aromatic |
| C03 | C04 | sing | 1.53Å | 1.56Å | |
| C03 | C02 | sing | 1.53Å | 1.56Å | |
| C20 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
| C04 | N05 | sing | 1.47Å | 1.58Å | |
| N05 | C06 | sing | 1.47Å | 1.56Å | |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C23 | C24 | doub | 1.39Å | 1.45Å | Aromatic |
| C09 | C10 | sing | 1.54Å | 1.56Å | |
| C09 | C08 | sing | 1.50Å | 1.57Å | |
| C26 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | sing | 1.53Å | 1.57Å | |
| C24 | O25 | sing | 1.36Å | 1.31Å | |
| C10 | C11 | sing | 1.54Å | 1.56Å | |
| C08 | C14 | sing | 1.54Å | 1.55Å | |
| C14 | C13 | sing | 1.45Å | 1.56Å | |
| C11 | C12 | sing | 1.50Å | 1.55Å | |
| C13 | C12 | sing | 1.54Å | 1.57Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.08Å | 1.08Å | |
| C22 | H32 | sing | 1.08Å | 1.08Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| C26 | H34 | sing | 1.08Å | 1.08Å | |
| N19 | H36 | sing | 0.97Å | 1.00Å | |
| O25 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 115.5° | 109.5° |
| C16 | C15 | N05 | 113.5° | 109.4° |
| C16 | C15 | H27 | 108.5° | 109.5° |
| C16 | C15 | H28 | 108.5° | 109.5° |
| C15 | C16 | H29 | 107.9° | 109.5° |
| C15 | C16 | H30 | 107.9° | 109.5° |
| C16 | C17 | C18 | 127.2° | 126.5° |
| C16 | C17 | C21 | 125.0° | 126.5° |
| C17 | C16 | H29 | 107.9° | 109.5° |
| C17 | C16 | H30 | 107.9° | 109.5° |
| C15 | N05 | C04 | 111.4° | 111.0° |
| C15 | N05 | C06 | 111.0° | 111.0° |
| N05 | C15 | H27 | 108.4° | 109.5° |
| N05 | C15 | H28 | 108.4° | 109.4° |
| C18 | C17 | C21 | 107.8° | 107.0° |
| C17 | C18 | N19 | 113.4° | 109.9° |
| C17 | C18 | H31 | 123.3° | 125.0° |
| C17 | C21 | C22 | 141.9° | 133.9° |
| C17 | C21 | C20 | 105.9° | 106.0° |
| C18 | N19 | C20 | 105.2° | 109.9° |
| N19 | C18 | H31 | 123.3° | 125.1° |
| C18 | N19 | H36 | 127.4° | 125.1° |
| C22 | C21 | C20 | 112.2° | 120.0° |
| C21 | C22 | C23 | 127.7° | 119.8° |
| C21 | C22 | H32 | 116.2° | 120.1° |
| C21 | C20 | N19 | 107.7° | 107.2° |
| C21 | C20 | C26 | 121.3° | 119.3° |
| C22 | C23 | C24 | 120.6° | 120.5° |
| C23 | C22 | H32 | 116.1° | 120.1° |
| C22 | C23 | H33 | 119.7° | 119.8° |
| N19 | C20 | C26 | 131.0° | 133.5° |
| C20 | N19 | H36 | 127.4° | 125.0° |
| C04 | C03 | C02 | 114.8° | 109.5° |
| C03 | C04 | N05 | 112.9° | 109.5° |
| C04 | C03 | H6 | 108.1° | 109.5° |
| C04 | C03 | H7 | 108.1° | 109.5° |
| C03 | C04 | H8 | 108.6° | 109.5° |
| C03 | C04 | H9 | 108.6° | 109.4° |
| C03 | C02 | C01 | 115.0° | 109.5° |
| C03 | C02 | H4 | 108.1° | 109.4° |
| C03 | C02 | H5 | 108.1° | 109.4° |
| C02 | C03 | H6 | 108.1° | 109.5° |
| C02 | C03 | H7 | 108.1° | 109.4° |
| C20 | C26 | C24 | 123.3° | 119.8° |
| C20 | C26 | H34 | 118.4° | 120.1° |
| C04 | N05 | C06 | 111.5° | 111.0° |
| N05 | C04 | H8 | 108.6° | 109.5° |
| N05 | C04 | H9 | 108.6° | 109.5° |
| N05 | C06 | C07 | 112.1° | 109.5° |
| N05 | C06 | H10 | 108.8° | 109.5° |
| N05 | C06 | H11 | 108.8° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C01 | C02 | H4 | 108.1° | 109.5° |
| C01 | C02 | H5 | 108.1° | 109.5° |
| C23 | C24 | C26 | 115.0° | 120.5° |
| C23 | C24 | O25 | 120.8° | 119.8° |
| C24 | C23 | H33 | 119.7° | 119.8° |
| C10 | C09 | C08 | 116.4° | 112.5° |
| C09 | C10 | C11 | 113.7° | 112.8° |
| C10 | C09 | H15 | 107.7° | 108.9° |
| C10 | C09 | H16 | 107.7° | 108.9° |
| C09 | C10 | H17 | 108.4° | 108.8° |
| C09 | C10 | H18 | 108.4° | 108.8° |
| C09 | C08 | C07 | 111.8° | 109.7° |
| C09 | C08 | C14 | 111.5° | 108.6° |
| C09 | C08 | H14 | 107.0° | 109.8° |
| C08 | C09 | H15 | 107.7° | 108.8° |
| C08 | C09 | H16 | 107.7° | 108.8° |
| C26 | C24 | O25 | 124.3° | 119.7° |
| C24 | C26 | H34 | 118.3° | 120.1° |
| C06 | C07 | C08 | 115.4° | 109.5° |
| C07 | C06 | H10 | 108.8° | 109.5° |
| C07 | C06 | H11 | 108.8° | 109.5° |
| C06 | C07 | H12 | 108.0° | 109.4° |
| C06 | C07 | H13 | 107.9° | 109.5° |
| C07 | C08 | C14 | 111.8° | 109.6° |
| C08 | C07 | H12 | 108.0° | 109.4° |
| C08 | C07 | H13 | 108.0° | 109.5° |
| C07 | C08 | H14 | 107.1° | 109.6° |
| C24 | O25 | H37 | 109.5° | 114.0° |
| C10 | C11 | C12 | 112.3° | 112.5° |
| C11 | C10 | H17 | 108.4° | 108.8° |
| C11 | C10 | H18 | 108.4° | 108.8° |
| C10 | C11 | H19 | 108.7° | 108.9° |
| C10 | C11 | H20 | 108.8° | 108.9° |
| C08 | C14 | C13 | 113.0° | 112.4° |
| C14 | C08 | H14 | 107.3° | 109.6° |
| C08 | C14 | H25 | 108.6° | 108.9° |
| C08 | C14 | H26 | 108.6° | 108.9° |
| C14 | C13 | C12 | 112.0° | 112.4° |
| C14 | C13 | H23 | 108.8° | 108.9° |
| C14 | C13 | H24 | 108.9° | 108.8° |
| C13 | C14 | H25 | 108.6° | 108.9° |
| C13 | C14 | H26 | 108.6° | 109.0° |
| C11 | C12 | C13 | 114.6° | 108.5° |
| C12 | C11 | H19 | 108.8° | 108.9° |
| C12 | C11 | H20 | 108.8° | 108.9° |
| C11 | C12 | H21 | 108.2° | 109.6° |
| C11 | C12 | H22 | 108.2° | 109.6° |
| C13 | C12 | H21 | 108.2° | 109.6° |
| C13 | C12 | H22 | 108.2° | 109.8° |
| C12 | C13 | H23 | 108.8° | 108.9° |
| C12 | C13 | H24 | 108.8° | 108.9° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.4° | 109.5° |
| H8 | C04 | H9 | 109.4° | 109.5° |
| H10 | C06 | H11 | 109.5° | 109.4° |
| H12 | C07 | H13 | 109.4° | 109.5° |
| H15 | C09 | H16 | 109.5° | 108.8° |
| H17 | C10 | H18 | 109.5° | 108.7° |
| H19 | C11 | H20 | 109.5° | 108.8° |
| H21 | C12 | H22 | 109.5° | 109.7° |
| H23 | C13 | H24 | 109.5° | 108.8° |
| H25 | C14 | H26 | 109.5° | 108.8° |
| H27 | C15 | H28 | 109.5° | 109.5° |
| H29 | C16 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H29 | 120.9° | 120.0° |
| C15 | C16 | C17 | H30 | 120.9° | 120.0° |
| C16 | C15 | N05 | H27 | 120.6° | 120.1° |
| C16 | C15 | N05 | H28 | 120.6° | 119.9° |
| C15 | C16 | C17 | C18 | 108.5° | 95.0° |
| C15 | C16 | C17 | C21 | 71.7° | 84.7° |
| C16 | C15 | N05 | C04 | 105.4° | 66.0° |
| C16 | C15 | N05 | C06 | 129.7° | 170.0° |
| C16 | C15 | H27 | H28 | 118.2° | 120.0° |
| C15 | C16 | H29 | H30 | 117.2° | 120.0° |
| C17 | C16 | C15 | N05 | 37.5° | 180.0° |
| C16 | C17 | C18 | C21 | 179.8° | 179.7° |
| C16 | C17 | C18 | N19 | 179.6° | 180.0° |
| C16 | C17 | C21 | C22 | 0.2° | 0.1° |
| C16 | C17 | C21 | C20 | 179.7° | 180.0° |
| C17 | C16 | C15 | H27 | 83.1° | 60.0° |
| C17 | C16 | C15 | H28 | 158.1° | 60.0° |
| C17 | C16 | H29 | H30 | 117.2° | 120.0° |
| C16 | C17 | C18 | H31 | 0.3° | 0.0° |
| C15 | N05 | C04 | C03 | 103.4° | 164.0° |
| C15 | N05 | C04 | C06 | 124.6° | 124.0° |
| C15 | N05 | C06 | C07 | 41.9° | 71.9° |
| C15 | N05 | C04 | H8 | 17.1° | 44.0° |
| C15 | N05 | C04 | H9 | 136.1° | 76.0° |
| C15 | N05 | C06 | H10 | 162.3° | 168.1° |
| C15 | N05 | C06 | H11 | 78.5° | 48.2° |
| N05 | C15 | H27 | H28 | 118.2° | 120.0° |
| N05 | C15 | C16 | H29 | 83.4° | 60.1° |
| N05 | C15 | C16 | H30 | 158.4° | 60.0° |
| C17 | C18 | N19 | H31 | 180.0° | 180.0° |
| C18 | C17 | C21 | C22 | 180.0° | 179.8° |
| C18 | C17 | C21 | C20 | 0.1° | 0.3° |
| C17 | C18 | N19 | C20 | 0.2° | 0.2° |
| C18 | C17 | C16 | H29 | 12.4° | 145.0° |
| C18 | C17 | C16 | H30 | 130.6° | 25.1° |
| C17 | C18 | N19 | H36 | 179.8° | 180.0° |
| C21 | C17 | C18 | N19 | 0.2° | 0.3° |
| C17 | C21 | C22 | C20 | 179.9° | 180.0° |
| C17 | C21 | C22 | C23 | 179.8° | 179.9° |
| C17 | C21 | C20 | N19 | 0.1° | 0.2° |
| C17 | C21 | C20 | C26 | 179.9° | 180.0° |
| C21 | C17 | C16 | H29 | 167.4° | 35.3° |
| C21 | C17 | C16 | H30 | 49.1° | 155.3° |
| C21 | C17 | C18 | H31 | 179.8° | 179.7° |
| C17 | C21 | C22 | H32 | 0.2° | 0.0° |
| C18 | N19 | C20 | C21 | 0.2° | 0.0° |
| C18 | N19 | C20 | H36 | 180.0° | 179.8° |
| C18 | N19 | C20 | C26 | 179.8° | 179.8° |
| C21 | C22 | C23 | H32 | 180.0° | 180.0° |
| C22 | C21 | C20 | N19 | 179.9° | 179.9° |
| C22 | C21 | C20 | C26 | 0.2° | 0.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.1° |
| C21 | C22 | C23 | H33 | 179.7° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C20 | N19 | C26 | 179.9° | 179.8° |
| C21 | C20 | C26 | C24 | 0.3° | 0.1° |
| C20 | C21 | C22 | H32 | 179.9° | 180.0° |
| C21 | C20 | C26 | H34 | 179.7° | 180.0° |
| C21 | C20 | N19 | H36 | 179.8° | 179.8° |
| C22 | C23 | C24 | H33 | 180.0° | 180.0° |
| C22 | C23 | C24 | C26 | 0.2° | 0.0° |
| C22 | C23 | C24 | O25 | 179.9° | 180.0° |
| N19 | C20 | C26 | C24 | 179.8° | 179.8° |
| C20 | N19 | C18 | H31 | 179.8° | 179.8° |
| N19 | C20 | C26 | H34 | 0.2° | 0.2° |
| C04 | C03 | C02 | H6 | 120.8° | 120.0° |
| C04 | C03 | C02 | H7 | 120.8° | 120.0° |
| C03 | C04 | N05 | H8 | 120.5° | 120.0° |
| C03 | C04 | N05 | H9 | 120.5° | 120.0° |
| C03 | C04 | N05 | C06 | 132.0° | 72.0° |
| C04 | C03 | C02 | C01 | 176.3° | 180.0° |
| C04 | C03 | C02 | H4 | 62.8° | 60.0° |
| C04 | C03 | C02 | H5 | 55.5° | 60.0° |
| C04 | C03 | H6 | H7 | 117.6° | 120.0° |
| C03 | C04 | H8 | H9 | 118.4° | 120.0° |
| C02 | C03 | C04 | N05 | 157.3° | 179.6° |
| C03 | C02 | C01 | H4 | 120.8° | 120.0° |
| C03 | C02 | C01 | H5 | 120.8° | 120.0° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C03 | C02 | H4 | H5 | 117.5° | 120.0° |
| C02 | C03 | H6 | H7 | 117.6° | 120.0° |
| C02 | C03 | C04 | H8 | 82.1° | 60.4° |
| C02 | C03 | C04 | H9 | 36.8° | 59.6° |
| C20 | C26 | C24 | C23 | 0.1° | 0.1° |
| C20 | C26 | C24 | H34 | 180.0° | 179.9° |
| C20 | C26 | C24 | O25 | 179.6° | 180.0° |
| C26 | C20 | N19 | H36 | 0.2° | 0.0° |
| C04 | N05 | C06 | C07 | 83.0° | 164.1° |
| N05 | C04 | C03 | H6 | 81.9° | 59.6° |
| N05 | C04 | C03 | H7 | 36.5° | 60.5° |
| N05 | C04 | H8 | H9 | 118.4° | 120.0° |
| C04 | N05 | C06 | H10 | 37.4° | 44.1° |
| C04 | N05 | C06 | H11 | 156.7° | 75.8° |
| C04 | N05 | C15 | H27 | 134.0° | 173.9° |
| C04 | N05 | C15 | H28 | 15.2° | 53.9° |
| N05 | C06 | C07 | H10 | 120.4° | 120.0° |
| N05 | C06 | C07 | H11 | 120.4° | 120.0° |
| N05 | C06 | C07 | C08 | 147.7° | 175.4° |
| C06 | N05 | C04 | H8 | 107.5° | 168.0° |
| C06 | N05 | C04 | H9 | 11.5° | 48.0° |
| N05 | C06 | H10 | H11 | 118.8° | 120.0° |
| N05 | C06 | C07 | H12 | 26.8° | 55.4° |
| N05 | C06 | C07 | H13 | 91.4° | 64.6° |
| C06 | N05 | C15 | H27 | 9.1° | 49.9° |
| C06 | N05 | C15 | H28 | 109.7° | 70.1° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 117.5° | 120.0° |
| C01 | C02 | C03 | H6 | 55.5° | 60.0° |
| C01 | C02 | C03 | H7 | 62.9° | 60.0° |
| C23 | C24 | C26 | O25 | 179.6° | 180.0° |
| C24 | C23 | C22 | H32 | 179.7° | 180.0° |
| C23 | C24 | C26 | H34 | 179.9° | 180.0° |
| C23 | C24 | O25 | H37 | 180.0° | 90.0° |
| C10 | C09 | C08 | H15 | 121.0° | 120.8° |
| C10 | C09 | C08 | H16 | 121.0° | 120.8° |
| C10 | C09 | C08 | C07 | 139.1° | 146.1° |
| C09 | C10 | C11 | H17 | 120.6° | 120.9° |
| C09 | C10 | C11 | H18 | 120.6° | 120.9° |
| C10 | C09 | C08 | C14 | 94.9° | 94.1° |
| C09 | C10 | C11 | C12 | 46.2° | 41.7° |
| C10 | C09 | C08 | H14 | 22.2° | 25.7° |
| C10 | C09 | H15 | H16 | 116.8° | 118.6° |
| C09 | C10 | H17 | H18 | 118.0° | 118.4° |
| C09 | C10 | C11 | H19 | 166.6° | 79.1° |
| C09 | C10 | C11 | H20 | 74.2° | 162.5° |
| C09 | C08 | C07 | C06 | 97.5° | 65.9° |
| C09 | C08 | C07 | C14 | 125.9° | 119.1° |
| C09 | C08 | C07 | H14 | 116.9° | 120.6° |
| C08 | C09 | C10 | C11 | 63.0° | 41.7° |
| C09 | C08 | C14 | H14 | 116.9° | 119.9° |
| C09 | C08 | C14 | C13 | 54.7° | 79.9° |
| C09 | C08 | C07 | H12 | 23.4° | 54.0° |
| C09 | C08 | C07 | H13 | 141.6° | 174.0° |
| C08 | C09 | H15 | H16 | 116.9° | 118.4° |
| C08 | C09 | C10 | H17 | 57.7° | 79.1° |
| C08 | C09 | C10 | H18 | 176.4° | 162.5° |
| C09 | C08 | C14 | H25 | 65.8° | 40.8° |
| C09 | C08 | C14 | H26 | 175.2° | 159.2° |
| C26 | C24 | C23 | H33 | 179.8° | 180.0° |
| C26 | C24 | O25 | H37 | 0.4° | 90.1° |
| C06 | C07 | C08 | H12 | 120.9° | 120.0° |
| C06 | C07 | C08 | H13 | 120.9° | 120.1° |
| C06 | C07 | C08 | C14 | 136.7° | 175.0° |
| C07 | C06 | H10 | H11 | 118.8° | 120.0° |
| C06 | C07 | H12 | H13 | 117.3° | 120.0° |
| C06 | C07 | C08 | H14 | 19.4° | 54.7° |
| C07 | C08 | C14 | H14 | 117.1° | 120.3° |
| C07 | C08 | C14 | C13 | 179.3° | 160.3° |
| C08 | C07 | C06 | H10 | 92.0° | 55.4° |
| C08 | C07 | C06 | H11 | 27.3° | 64.6° |
| C08 | C07 | H12 | H13 | 117.3° | 120.0° |
| C07 | C08 | C09 | H15 | 99.9° | 25.3° |
| C07 | C08 | C09 | H16 | 18.1° | 93.1° |
| C07 | C08 | C14 | H25 | 60.2° | 79.0° |
| C07 | C08 | C14 | H26 | 58.8° | 39.5° |
| O25 | C24 | C23 | H33 | 0.2° | 0.0° |
| O25 | C24 | C26 | H34 | 0.4° | 0.0° |
| C10 | C11 | C12 | H19 | 120.4° | 120.8° |
| C10 | C11 | C12 | H20 | 120.4° | 120.7° |
| C10 | C11 | C12 | C13 | 80.2° | 94.1° |
| C11 | C10 | C09 | H15 | 58.0° | 162.5° |
| C11 | C10 | C09 | H16 | 176.0° | 79.0° |
| C11 | C10 | H17 | H18 | 118.1° | 118.3° |
| C10 | C11 | H19 | H20 | 118.7° | 118.5° |
| C10 | C11 | C12 | H21 | 40.5° | 146.2° |
| C10 | C11 | C12 | H22 | 159.0° | 25.7° |
| C08 | C14 | C13 | H25 | 120.5° | 120.7° |
| C08 | C14 | C13 | H26 | 120.5° | 120.8° |
| C08 | C14 | C13 | C12 | 24.2° | 61.9° |
| C14 | C08 | C07 | H12 | 102.5° | 65.1° |
| C14 | C08 | C07 | H13 | 15.8° | 54.9° |
| C14 | C08 | C09 | H15 | 26.1° | 145.1° |
| C14 | C08 | C09 | H16 | 144.1° | 26.6° |
| C08 | C14 | C13 | H23 | 96.2° | 58.9° |
| C08 | C14 | C13 | H24 | 144.5° | 177.4° |
| C08 | C14 | H25 | H26 | 118.4° | 118.5° |
| C14 | C13 | C12 | C11 | 92.8° | 80.0° |
| C14 | C13 | C12 | H23 | 120.4° | 120.8° |
| C14 | C13 | C12 | H24 | 120.4° | 120.7° |
| C13 | C14 | C08 | H14 | 62.2° | 40.0° |
| C14 | C13 | C12 | H21 | 28.0° | 160.3° |
| C14 | C13 | C12 | H22 | 146.4° | 39.8° |
| C14 | C13 | H23 | H24 | 118.8° | 118.4° |
| C13 | C14 | H25 | H26 | 118.4° | 118.6° |
| C11 | C12 | C13 | H21 | 120.8° | 119.7° |
| C11 | C12 | C13 | H22 | 120.8° | 119.8° |
| C12 | C11 | C10 | H17 | 74.4° | 162.6° |
| C12 | C11 | C10 | H18 | 166.8° | 79.2° |
| C12 | C11 | H19 | H20 | 118.7° | 118.5° |
| C11 | C12 | H21 | H22 | 117.7° | 120.4° |
| C11 | C12 | C13 | H23 | 27.6° | 40.8° |
| C11 | C12 | C13 | H24 | 146.8° | 159.3° |
| C13 | C12 | C11 | H19 | 159.4° | 26.6° |
| C13 | C12 | C11 | H20 | 40.2° | 145.1° |
| C13 | C12 | H21 | H22 | 117.7° | 120.6° |
| C12 | C13 | H23 | H24 | 118.8° | 118.6° |
| C12 | C13 | C14 | H25 | 144.7° | 58.8° |
| C12 | C13 | C14 | H26 | 96.4° | 177.3° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 59.2° | 60.0° |
| H1 | C01 | C02 | H5 | 59.2° | 180.0° |
| H2 | C01 | C02 | H4 | 179.2° | 180.0° |
| H2 | C01 | C02 | H5 | 60.8° | 60.0° |
| H3 | C01 | C02 | H4 | 60.8° | 60.0° |
| H3 | C01 | C02 | H5 | 179.2° | 60.1° |
| H4 | C02 | C03 | H6 | 176.4° | 180.0° |
| H4 | C02 | C03 | H7 | 58.0° | 60.0° |
| H5 | C02 | C03 | H6 | 65.3° | 60.0° |
| H5 | C02 | C03 | H7 | 176.3° | 180.0° |
| H6 | C03 | C04 | H8 | 38.7° | 179.6° |
| H6 | C03 | C04 | H9 | 157.6° | 60.4° |
| H7 | C03 | C04 | H8 | 157.0° | 59.5° |
| H7 | C03 | C04 | H9 | 84.0° | 179.6° |
| H10 | C06 | C07 | H12 | 147.1° | 64.6° |
| H10 | C06 | C07 | H13 | 28.9° | 175.4° |
| H11 | C06 | C07 | H12 | 93.6° | 175.5° |
| H11 | C06 | C07 | H13 | 148.2° | 55.5° |
| H12 | C07 | C08 | H14 | 140.3° | 174.6° |
| H13 | C07 | C08 | H14 | 101.5° | 65.4° |
| H14 | C08 | C09 | H15 | 143.2° | 95.1° |
| H14 | C08 | C09 | H16 | 98.8° | 146.4° |
| H14 | C08 | C14 | H25 | 177.3° | 160.7° |
| H14 | C08 | C14 | H26 | 58.3° | 80.9° |
| H15 | C09 | C10 | H17 | 178.6° | 41.6° |
| H15 | C09 | C10 | H18 | 62.6° | 76.7° |
| H16 | C09 | C10 | H17 | 63.3° | 160.1° |
| H16 | C09 | C10 | H18 | 55.4° | 41.8° |
| H17 | C10 | C11 | H19 | 46.0° | 41.8° |
| H17 | C10 | C11 | H20 | 165.1° | 76.7° |
| H18 | C10 | C11 | H19 | 72.8° | 160.1° |
| H18 | C10 | C11 | H20 | 46.4° | 41.6° |
| H19 | C11 | C12 | H21 | 79.9° | 93.1° |
| H19 | C11 | C12 | H22 | 38.6° | 146.5° |
| H20 | C11 | C12 | H21 | 160.9° | 25.4° |
| H20 | C11 | C12 | H22 | 80.6° | 95.0° |
| H21 | C12 | C13 | H23 | 148.3° | 78.9° |
| H21 | C12 | C13 | H24 | 92.5° | 39.7° |
| H22 | C12 | C13 | H23 | 93.2° | 160.5° |
| H22 | C12 | C13 | H24 | 26.0° | 80.9° |
| H23 | C13 | C14 | H25 | 24.3° | 179.6° |
| H23 | C13 | C14 | H26 | 143.2° | 61.9° |
| H24 | C13 | C14 | H25 | 95.0° | 61.9° |
| H24 | C13 | C14 | H26 | 24.0° | 56.5° |
| H27 | C15 | C16 | H29 | 156.0° | 60.0° |
| H27 | C15 | C16 | H30 | 37.8° | 180.0° |
| H28 | C15 | C16 | H29 | 37.2° | NaN° |
| H28 | C15 | C16 | H30 | 81.0° | 60.0° |
| H31 | C18 | N19 | H36 | 0.2° | 0.0° |
| H32 | C22 | C23 | H33 | 0.3° | 0.0° |
