KHG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C07 | sing | 1.51Å | 1.53Å | |
| C15 | C07 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | sing | 1.53Å | 1.55Å | |
| C07 | C06 | sing | 1.53Å | 1.54Å | |
| C08 | C04 | sing | 1.53Å | 1.54Å | |
| O26 | C17 | doub | 1.21Å | 1.23Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C22 | sing | 1.53Å | 1.54Å | |
| C25 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C17 | N18 | sing | 1.35Å | 1.35Å | |
| C06 | C02 | sing | 1.53Å | 1.54Å | |
| C16 | C05 | sing | 1.53Å | 1.55Å | |
| C16 | C27 | sing | 1.53Å | 1.54Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| N18 | C19 | sing | 1.46Å | 1.47Å | |
| C22 | N23 | sing | 1.47Å | 1.47Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C27 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C06 | H21 | sing | 1.09Å | 1.10Å | |
| C06 | H22 | sing | 1.09Å | 1.10Å | |
| C08 | H23 | sing | 1.09Å | 1.10Å | |
| C08 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.08Å | 1.08Å | |
| C11 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| N18 | H32 | sing | 0.97Å | 1.00Å | |
| N23 | H33 | sing | 1.01Å | 1.00Å | |
| N23 | H34 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 118.8° | 120.0° |
| C12 | C11 | C10 | 120.5° | 119.9° |
| C11 | C12 | H1 | 120.6° | 120.0° |
| C12 | C11 | H26 | 119.7° | 120.0° |
| C12 | C13 | C14 | 120.6° | 120.0° |
| C13 | C12 | H1 | 120.6° | 120.0° |
| C12 | C13 | H2 | 119.7° | 120.0° |
| C11 | C10 | C09 | 121.2° | 120.0° |
| C11 | C10 | H25 | 119.4° | 120.0° |
| C10 | C11 | H26 | 119.7° | 120.0° |
| C13 | C14 | C09 | 121.1° | 120.0° |
| C14 | C13 | H2 | 119.7° | 120.0° |
| C13 | C14 | H3 | 119.4° | 120.0° |
| C10 | C09 | C14 | 117.7° | 120.0° |
| C10 | C09 | C07 | 120.5° | 120.0° |
| C09 | C10 | H25 | 119.4° | 120.0° |
| C14 | C09 | C07 | 121.8° | 120.0° |
| C09 | C14 | H3 | 119.4° | 120.0° |
| C09 | C07 | C15 | 111.7° | 109.5° |
| C09 | C07 | C08 | 107.8° | 109.5° |
| C09 | C07 | C06 | 111.4° | 109.5° |
| C07 | C15 | C16 | 109.9° | 109.5° |
| C15 | C07 | C08 | 109.3° | 109.4° |
| C15 | C07 | C06 | 108.3° | 109.5° |
| C07 | C15 | H4 | 109.3° | 109.5° |
| C07 | C15 | H5 | 109.4° | 109.5° |
| C15 | C16 | C17 | 109.6° | 109.5° |
| C15 | C16 | C05 | 109.7° | 109.5° |
| C15 | C16 | C27 | 109.3° | 109.4° |
| C16 | C15 | H4 | 109.4° | 109.5° |
| C16 | C15 | H5 | 109.3° | 109.5° |
| C08 | C07 | C06 | 108.1° | 109.4° |
| C07 | C08 | C04 | 110.4° | 109.5° |
| C07 | C08 | H23 | 109.2° | 109.5° |
| C07 | C08 | H24 | 109.3° | 109.4° |
| C07 | C06 | C02 | 111.4° | 109.5° |
| C07 | C06 | H21 | 109.0° | 109.5° |
| C07 | C06 | H22 | 109.0° | 109.4° |
| C08 | C04 | C05 | 109.1° | 109.5° |
| C08 | C04 | C03 | 110.0° | 109.4° |
| C08 | C04 | H18 | 109.6° | 109.5° |
| C04 | C08 | H23 | 109.2° | 109.5° |
| C04 | C08 | H24 | 109.2° | 109.5° |
| O26 | C17 | C16 | 123.4° | 120.0° |
| O26 | C17 | N18 | 123.2° | 120.0° |
| C25 | C24 | C22 | 111.8° | 109.4° |
| C24 | C25 | C19 | 109.1° | 109.5° |
| C25 | C24 | H11 | 108.9° | 109.5° |
| C25 | C24 | H12 | 108.9° | 109.4° |
| C24 | C25 | H30 | 109.6° | 109.4° |
| C24 | C25 | H31 | 109.6° | 109.5° |
| C24 | C22 | N23 | 108.7° | 109.4° |
| C24 | C22 | C21 | 111.4° | 109.4° |
| C24 | C22 | H8 | 109.2° | 109.5° |
| C22 | C24 | H11 | 108.9° | 109.5° |
| C22 | C24 | H12 | 108.9° | 109.5° |
| C25 | C19 | N18 | 109.5° | 109.5° |
| C25 | C19 | C20 | 108.4° | 109.4° |
| C25 | C19 | H27 | 110.2° | 109.5° |
| C19 | C25 | H30 | 109.5° | 109.5° |
| C19 | C25 | H31 | 109.5° | 109.5° |
| C16 | C17 | N18 | 113.4° | 120.0° |
| C17 | C16 | C05 | 106.8° | 109.5° |
| C17 | C16 | C27 | 112.0° | 109.4° |
| C17 | N18 | C19 | 123.9° | 120.0° |
| C17 | N18 | H32 | 118.0° | 120.0° |
| C06 | C02 | C27 | 108.8° | 109.5° |
| C06 | C02 | C03 | 109.0° | 109.5° |
| C06 | C02 | C01 | 109.4° | 109.5° |
| C02 | C06 | H21 | 109.0° | 109.5° |
| C02 | C06 | H22 | 109.0° | 109.5° |
| C05 | C16 | C27 | 109.4° | 109.5° |
| C16 | C05 | C04 | 109.9° | 109.5° |
| C16 | C05 | H19 | 109.4° | 109.5° |
| C16 | C05 | H20 | 109.4° | 109.5° |
| C16 | C27 | C02 | 109.8° | 109.5° |
| C16 | C27 | H9 | 109.4° | 109.5° |
| C16 | C27 | H10 | 109.4° | 109.5° |
| C05 | C04 | C03 | 108.7° | 109.5° |
| C05 | C04 | H18 | 109.7° | 109.5° |
| C04 | C05 | H19 | 109.4° | 109.4° |
| C04 | C05 | H20 | 109.4° | 109.5° |
| C04 | C03 | C02 | 110.3° | 109.5° |
| C04 | C03 | H16 | 109.2° | 109.4° |
| C04 | C03 | H17 | 109.2° | 109.5° |
| C03 | C04 | H18 | 109.7° | 109.4° |
| N18 | C19 | C20 | 107.1° | 109.5° |
| N18 | C19 | H27 | 111.2° | 109.5° |
| C19 | N18 | H32 | 118.0° | 120.0° |
| N23 | C22 | C21 | 108.1° | 109.5° |
| N23 | C22 | H8 | 110.2° | 109.4° |
| C22 | N23 | H33 | 109.5° | 111.0° |
| C22 | N23 | H34 | 109.5° | 111.0° |
| C22 | C21 | C20 | 111.2° | 109.4° |
| C22 | C21 | H6 | 109.0° | 109.4° |
| C22 | C21 | H7 | 109.0° | 109.5° |
| C21 | C22 | H8 | 109.2° | 109.5° |
| C19 | C20 | C21 | 109.8° | 109.5° |
| C20 | C19 | H27 | 110.3° | 109.5° |
| C19 | C20 | H28 | 109.4° | 109.5° |
| C19 | C20 | H29 | 109.4° | 109.4° |
| C27 | C02 | C03 | 108.9° | 109.5° |
| C27 | C02 | C01 | 110.9° | 109.4° |
| C02 | C27 | H9 | 109.4° | 109.5° |
| C02 | C27 | H10 | 109.4° | 109.4° |
| C03 | C02 | C01 | 109.8° | 109.5° |
| C02 | C03 | H16 | 109.2° | 109.5° |
| C02 | C03 | H17 | 109.3° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C01 | H14 | 109.5° | 109.5° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| C20 | C21 | H6 | 109.1° | 109.5° |
| C20 | C21 | H7 | 109.0° | 109.5° |
| C21 | C20 | H28 | 109.4° | 109.5° |
| C21 | C20 | H29 | 109.4° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.4° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H9 | C27 | H10 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H13 | C01 | H14 | 109.5° | 109.4° |
| H13 | C01 | H15 | 109.4° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.5° |
| H16 | C03 | H17 | 109.5° | 109.5° |
| H19 | C05 | H20 | 109.4° | 109.4° |
| H21 | C06 | H22 | 109.5° | 109.5° |
| H23 | C08 | H24 | 109.5° | 109.4° |
| H28 | C20 | H29 | 109.5° | 109.4° |
| H30 | C25 | H31 | 109.5° | 109.5° |
| H33 | N23 | H34 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H1 | 180.0° | 179.8° |
| C12 | C11 | C10 | H26 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.9° | 0.1° |
| C12 | C11 | C10 | C09 | 0.5° | 0.2° |
| C11 | C12 | C13 | H2 | 179.1° | 180.0° |
| C12 | C11 | C10 | H25 | 179.6° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.2° |
| C12 | C13 | C14 | H2 | 180.0° | 180.0° |
| C12 | C13 | C14 | C09 | 1.1° | 0.0° |
| C12 | C13 | C14 | H3 | 178.9° | 180.0° |
| C13 | C12 | C11 | H26 | 179.9° | 180.0° |
| C11 | C10 | C09 | H25 | 180.0° | 179.8° |
| C11 | C10 | C09 | C14 | 0.3° | 0.2° |
| C11 | C10 | C09 | C07 | 179.8° | 179.8° |
| C10 | C11 | C12 | H1 | 179.9° | 179.6° |
| C13 | C14 | C09 | C10 | 0.5° | 0.1° |
| C13 | C14 | C09 | H3 | 180.0° | 180.0° |
| C13 | C14 | C09 | C07 | 179.0° | 179.9° |
| C14 | C13 | C12 | H1 | 179.1° | 179.7° |
| C10 | C09 | C14 | C07 | 179.5° | 180.0° |
| C10 | C09 | C07 | C15 | 37.6° | 120.0° |
| C10 | C09 | C07 | C08 | 82.6° | 120.0° |
| C10 | C09 | C07 | C06 | 158.9° | 0.0° |
| C10 | C09 | C14 | H3 | 179.5° | 179.9° |
| C09 | C10 | C11 | H26 | 179.5° | 179.9° |
| C14 | C09 | C07 | C15 | 142.9° | 60.0° |
| C14 | C09 | C07 | C08 | 96.9° | 60.0° |
| C14 | C09 | C07 | C06 | 21.5° | 180.0° |
| C09 | C14 | C13 | H2 | 178.9° | 180.0° |
| C14 | C09 | C10 | H25 | 179.7° | 180.0° |
| C09 | C07 | C15 | C08 | 119.3° | 120.0° |
| C09 | C07 | C15 | C06 | 123.1° | 120.0° |
| C09 | C07 | C15 | C16 | 177.6° | 180.0° |
| C09 | C07 | C08 | C06 | 120.6° | 120.0° |
| C09 | C07 | C08 | C04 | 179.4° | 180.0° |
| C09 | C07 | C06 | C02 | 177.7° | 180.0° |
| C07 | C09 | C14 | H3 | 0.9° | 0.0° |
| C09 | C07 | C15 | H4 | 57.6° | 60.0° |
| C09 | C07 | C15 | H5 | 62.3° | 60.0° |
| C09 | C07 | C06 | H21 | 62.0° | 60.0° |
| C09 | C07 | C06 | H22 | 57.5° | 60.0° |
| C09 | C07 | C08 | H23 | 59.3° | 59.9° |
| C09 | C07 | C08 | H24 | 60.5° | 60.0° |
| C07 | C09 | C10 | H25 | 0.2° | 0.0° |
| C07 | C15 | C16 | H4 | 120.0° | 120.1° |
| C07 | C15 | C16 | H5 | 120.1° | 120.0° |
| C15 | C07 | C08 | C06 | 117.8° | 120.0° |
| C15 | C07 | C08 | C04 | 59.0° | 59.9° |
| C07 | C15 | C16 | C17 | 176.0° | 180.0° |
| C15 | C07 | C06 | C02 | 59.0° | 60.0° |
| C07 | C15 | C16 | C05 | 59.1° | 60.0° |
| C07 | C15 | C16 | C27 | 60.9° | 60.0° |
| C07 | C15 | H4 | H5 | 119.8° | 120.0° |
| C15 | C07 | C06 | H21 | 61.3° | 180.0° |
| C15 | C07 | C06 | H22 | 179.3° | 60.0° |
| C15 | C07 | C08 | H23 | 179.1° | 60.1° |
| C15 | C07 | C08 | H24 | 61.2° | 180.0° |
| C16 | C15 | C07 | C08 | 58.3° | 60.0° |
| C16 | C15 | C07 | C06 | 59.3° | 60.0° |
| C15 | C16 | C17 | O26 | 24.1° | 0.0° |
| C15 | C16 | C17 | C05 | 118.8° | 120.1° |
| C15 | C16 | C17 | C27 | 121.5° | 120.0° |
| C15 | C16 | C17 | N18 | 155.0° | 180.0° |
| C15 | C16 | C05 | C27 | 119.9° | 120.0° |
| C15 | C16 | C05 | C04 | 60.0° | 59.9° |
| C15 | C16 | C27 | C02 | 60.8° | 60.0° |
| C16 | C15 | H4 | H5 | 119.8° | 119.9° |
| C15 | C16 | C27 | H9 | 179.2° | 60.0° |
| C15 | C16 | C27 | H10 | 59.3° | 180.0° |
| C15 | C16 | C05 | H19 | 60.1° | 180.0° |
| C15 | C16 | C05 | H20 | 179.9° | 60.1° |
| C07 | C08 | C04 | H23 | 120.1° | 120.0° |
| C07 | C08 | C04 | H24 | 120.2° | 120.0° |
| C08 | C07 | C06 | C02 | 59.4° | 60.0° |
| C07 | C08 | C04 | C05 | 59.8° | 60.0° |
| C07 | C08 | C04 | C03 | 59.4° | 60.0° |
| C08 | C07 | C15 | H4 | 61.7° | 60.1° |
| C08 | C07 | C15 | H5 | 178.4° | 180.0° |
| C07 | C08 | C04 | H18 | 180.0° | 179.9° |
| C08 | C07 | C06 | H21 | 179.7° | 60.0° |
| C08 | C07 | C06 | H22 | 60.9° | 179.9° |
| C07 | C08 | H23 | H24 | 119.6° | 119.9° |
| C06 | C07 | C08 | C04 | 58.8° | 60.0° |
| C07 | C06 | C02 | H21 | 120.3° | 120.0° |
| C07 | C06 | C02 | H22 | 120.3° | 120.0° |
| C07 | C06 | C02 | C27 | 59.2° | 60.0° |
| C07 | C06 | C02 | C03 | 59.4° | 60.0° |
| C07 | C06 | C02 | C01 | 179.5° | 180.0° |
| C06 | C07 | C15 | H4 | 179.3° | 180.0° |
| C06 | C07 | C15 | H5 | 60.8° | 60.0° |
| C07 | C06 | H21 | H22 | 119.1° | 120.0° |
| C06 | C07 | C08 | H23 | 61.3° | 180.0° |
| C06 | C07 | C08 | H24 | 178.9° | 60.0° |
| C08 | C04 | C05 | C16 | 60.0° | 60.0° |
| C08 | C04 | C05 | C03 | 119.9° | 119.9° |
| C08 | C04 | C05 | H18 | 120.1° | 120.1° |
| C08 | C04 | C03 | H18 | 120.7° | 120.0° |
| C08 | C04 | C03 | C02 | 58.8° | 60.0° |
| C08 | C04 | C03 | H16 | 61.3° | 180.0° |
| C08 | C04 | C03 | H17 | 178.9° | 60.0° |
| C08 | C04 | C05 | H19 | 60.1° | 180.0° |
| C08 | C04 | C05 | H20 | 180.0° | 60.1° |
| C04 | C08 | H23 | H24 | 119.5° | 120.0° |
| O26 | C17 | C16 | N18 | 179.2° | 179.9° |
| O26 | C17 | C16 | C05 | 142.9° | 120.0° |
| O26 | C17 | C16 | C27 | 97.3° | 120.0° |
| O26 | C17 | N18 | C19 | 0.1° | 0.0° |
| O26 | C17 | N18 | H32 | 179.8° | 180.0° |
| C25 | C24 | C22 | H11 | 120.3° | 120.0° |
| C25 | C24 | C22 | H12 | 120.3° | 119.9° |
| C24 | C25 | C19 | H30 | 120.0° | 119.9° |
| C24 | C25 | C19 | H31 | 119.9° | 120.0° |
| C24 | C25 | C19 | N18 | 53.5° | 180.0° |
| C25 | C24 | C22 | N23 | 66.8° | 180.0° |
| C25 | C24 | C22 | C21 | 52.2° | 60.1° |
| C24 | C25 | C19 | C20 | 63.0° | 60.0° |
| C25 | C24 | C22 | H8 | 172.9° | 60.0° |
| C25 | C24 | H11 | H12 | 118.9° | 120.0° |
| C24 | C25 | C19 | H27 | 176.1° | 60.0° |
| C24 | C25 | H30 | H31 | 120.2° | 120.0° |
| C22 | C24 | C25 | C19 | 58.0° | 60.1° |
| C24 | C22 | N23 | C21 | 121.1° | 120.0° |
| C24 | C22 | N23 | H8 | 119.6° | 120.1° |
| C24 | C22 | C21 | H8 | 120.7° | 120.1° |
| C24 | C22 | C21 | C20 | 51.6° | 60.1° |
| C24 | C22 | C21 | H6 | 68.7° | 180.0° |
| C24 | C22 | C21 | H7 | 171.9° | 60.0° |
| C22 | C24 | H11 | H12 | 119.0° | 120.0° |
| C22 | C24 | C25 | H30 | 62.0° | 180.0° |
| C22 | C24 | C25 | H31 | 177.9° | 59.9° |
| C24 | C22 | N23 | H33 | 180.0° | 60.0° |
| C24 | C22 | N23 | H34 | 60.0° | 63.9° |
| C25 | C19 | N18 | C17 | 75.1° | 85.0° |
| C25 | C19 | N18 | C20 | 117.4° | 119.9° |
| C25 | C19 | N18 | H27 | 122.0° | 120.0° |
| C25 | C19 | C20 | H27 | 120.8° | 120.0° |
| C25 | C19 | C20 | C21 | 63.2° | 60.1° |
| C19 | C25 | C24 | H11 | 62.4° | 60.0° |
| C19 | C25 | C24 | H12 | 178.3° | 180.0° |
| C25 | C19 | C20 | H28 | 56.9° | 60.1° |
| C25 | C19 | C20 | H29 | 176.8° | 180.0° |
| C19 | C25 | H30 | H31 | 120.1° | 120.0° |
| C25 | C19 | N18 | H32 | 104.9° | 95.0° |
| C17 | C16 | C05 | C27 | 121.4° | 120.0° |
| C17 | C16 | C05 | C04 | 178.8° | 180.0° |
| C16 | C17 | N18 | C19 | 179.0° | 180.0° |
| C17 | C16 | C27 | C02 | 177.6° | 180.0° |
| C17 | C16 | C15 | H4 | 56.0° | 60.0° |
| C17 | C16 | C15 | H5 | 63.9° | 59.9° |
| C17 | C16 | C27 | H9 | 57.5° | 60.0° |
| C17 | C16 | C27 | H10 | 62.4° | 60.0° |
| C17 | C16 | C05 | H19 | 58.7° | 60.0° |
| C17 | C16 | C05 | H20 | 61.2° | 60.0° |
| C16 | C17 | N18 | H32 | 1.0° | 0.0° |
| N18 | C17 | C16 | C05 | 36.2° | 59.9° |
| N18 | C17 | C16 | C27 | 83.5° | 60.0° |
| C17 | N18 | C19 | H32 | 180.0° | 180.0° |
| C17 | N18 | C19 | C20 | 167.6° | 155.0° |
| C17 | N18 | C19 | H27 | 47.0° | 35.0° |
| C06 | C02 | C27 | C16 | 59.3° | 60.0° |
| C06 | C02 | C03 | C04 | 58.3° | 60.0° |
| C06 | C02 | C27 | C03 | 118.7° | 120.0° |
| C06 | C02 | C27 | C01 | 120.4° | 120.0° |
| C06 | C02 | C03 | C01 | 119.9° | 120.0° |
| C06 | C02 | C27 | H9 | 179.4° | 60.0° |
| C06 | C02 | C27 | H10 | 60.8° | 180.0° |
| C06 | C02 | C01 | H13 | 180.0° | 60.0° |
| C06 | C02 | C01 | H14 | 60.0° | 60.0° |
| C06 | C02 | C01 | H15 | 60.0° | 180.0° |
| C06 | C02 | C03 | H16 | 61.8° | 180.0° |
| C06 | C02 | C03 | H17 | 178.4° | 60.0° |
| C02 | C06 | H21 | H22 | 119.1° | 120.0° |
| C16 | C05 | C04 | H19 | 120.1° | 120.0° |
| C16 | C05 | C04 | H20 | 120.1° | 120.0° |
| C16 | C05 | C04 | C03 | 60.0° | 60.0° |
| C05 | C16 | C27 | C02 | 59.4° | 60.0° |
| C05 | C16 | C15 | H4 | 61.0° | 60.1° |
| C05 | C16 | C15 | H5 | 179.1° | 180.0° |
| C05 | C16 | C27 | H9 | 60.6° | 180.0° |
| C05 | C16 | C27 | H10 | 179.5° | 60.0° |
| C16 | C05 | C04 | H18 | 179.9° | 180.0° |
| C16 | C05 | H19 | H20 | 119.8° | 120.0° |
| C27 | C16 | C05 | C04 | 59.8° | 60.0° |
| C16 | C27 | C02 | H9 | 120.0° | 120.0° |
| C16 | C27 | C02 | H10 | 120.1° | 120.0° |
| C16 | C27 | C02 | C03 | 59.4° | 60.0° |
| C16 | C27 | C02 | C01 | 179.7° | 180.0° |
| C27 | C16 | C15 | H4 | 179.1° | 179.9° |
| C27 | C16 | C15 | H5 | 59.2° | 60.0° |
| C16 | C27 | H9 | H10 | 119.9° | 120.0° |
| C27 | C16 | C05 | H19 | 179.9° | 60.0° |
| C27 | C16 | C05 | H20 | 60.2° | 180.0° |
| C05 | C04 | C03 | H18 | 120.0° | 120.1° |
| C05 | C04 | C03 | C02 | 60.6° | 59.9° |
| C05 | C04 | C03 | H16 | 179.3° | 60.0° |
| C05 | C04 | C03 | H17 | 59.6° | 180.0° |
| C04 | C05 | H19 | H20 | 119.8° | 120.0° |
| C05 | C04 | C08 | H23 | 179.9° | 60.0° |
| C05 | C04 | C08 | H24 | 60.4° | 180.0° |
| C04 | C03 | C02 | C27 | 60.3° | 60.0° |
| C04 | C03 | C02 | H16 | 120.1° | 119.9° |
| C04 | C03 | C02 | H17 | 120.1° | 120.1° |
| C04 | C03 | C02 | C01 | 178.1° | 180.0° |
| C04 | C03 | H16 | H17 | 119.6° | 120.0° |
| C03 | C04 | C05 | H19 | 179.9° | 60.1° |
| C03 | C04 | C05 | H20 | 60.1° | 180.0° |
| C03 | C04 | C08 | H23 | 60.8° | 180.0° |
| C03 | C04 | C08 | H24 | 179.5° | 60.0° |
| N18 | C19 | C20 | H27 | 121.2° | 120.1° |
| N18 | C19 | C20 | C21 | 54.9° | 180.0° |
| N18 | C19 | C20 | H28 | 174.9° | 59.9° |
| N18 | C19 | C20 | H29 | 65.2° | 60.0° |
| N18 | C19 | C25 | H30 | 173.5° | 60.1° |
| N18 | C19 | C25 | H31 | 66.4° | 60.0° |
| N23 | C22 | C21 | H8 | 119.8° | 120.0° |
| N23 | C22 | C21 | C20 | 67.8° | 180.0° |
| N23 | C22 | C21 | H6 | 171.9° | 60.0° |
| N23 | C22 | C21 | H7 | 52.5° | 60.0° |
| N23 | C22 | C24 | H11 | 172.8° | 60.0° |
| N23 | C22 | C24 | H12 | 53.5° | 60.0° |
| C22 | N23 | H33 | H34 | 120.0° | 123.9° |
| C22 | C21 | C20 | C19 | 57.6° | 60.1° |
| C22 | C21 | C20 | H6 | 120.2° | 120.0° |
| C22 | C21 | C20 | H7 | 120.3° | 120.0° |
| C22 | C21 | H6 | H7 | 119.2° | 120.0° |
| C21 | C22 | C24 | H11 | 68.2° | 60.0° |
| C21 | C22 | C24 | H12 | 172.5° | 180.0° |
| C22 | C21 | C20 | H28 | 62.5° | 60.0° |
| C22 | C21 | C20 | H29 | 177.6° | 180.0° |
| C21 | C22 | N23 | H33 | 58.9° | 180.0° |
| C21 | C22 | N23 | H34 | 178.9° | 56.0° |
| C19 | C20 | C21 | H28 | 120.1° | 120.1° |
| C19 | C20 | C21 | H29 | 120.0° | 119.9° |
| C19 | C20 | C21 | H6 | 62.6° | 180.0° |
| C19 | C20 | C21 | H7 | 177.9° | 60.0° |
| C19 | C20 | H28 | H29 | 119.9° | 119.9° |
| C20 | C19 | C25 | H30 | 56.9° | 179.9° |
| C20 | C19 | C25 | H31 | 177.0° | 60.0° |
| C20 | C19 | N18 | H32 | 12.4° | 25.0° |
| C27 | C02 | C03 | C01 | 121.6° | 120.0° |
| C02 | C27 | H9 | H10 | 119.8° | 120.0° |
| C27 | C02 | C01 | H13 | 60.0° | 60.0° |
| C27 | C02 | C01 | H14 | 60.0° | 180.0° |
| C27 | C02 | C01 | H15 | 180.0° | 60.1° |
| C27 | C02 | C03 | H16 | 179.6° | 60.0° |
| C27 | C02 | C03 | H17 | 59.8° | 180.0° |
| C27 | C02 | C06 | H21 | 61.1° | 180.0° |
| C27 | C02 | C06 | H22 | 179.5° | 60.0° |
| C03 | C02 | C27 | H9 | 60.6° | 180.0° |
| C03 | C02 | C27 | H10 | 179.5° | 60.0° |
| C03 | C02 | C01 | H13 | 60.4° | 180.0° |
| C03 | C02 | C01 | H14 | 179.6° | 60.0° |
| C03 | C02 | C01 | H15 | 59.6° | 60.0° |
| C02 | C03 | H16 | H17 | 119.6° | 120.0° |
| C02 | C03 | C04 | H18 | 179.5° | 180.0° |
| C03 | C02 | C06 | H21 | 179.7° | 60.0° |
| C03 | C02 | C06 | H22 | 60.8° | 180.0° |
| C01 | C02 | C27 | H9 | 60.3° | 60.0° |
| C01 | C02 | C27 | H10 | 59.6° | 60.1° |
| C02 | C01 | H13 | H14 | 120.0° | 120.0° |
| C02 | C01 | H13 | H15 | 120.0° | 120.0° |
| C02 | C01 | H14 | H15 | 120.0° | 120.0° |
| C01 | C02 | C03 | H16 | 58.0° | 60.0° |
| C01 | C02 | C03 | H17 | 61.8° | 60.0° |
| C01 | C02 | C06 | H21 | 60.2° | 60.0° |
| C01 | C02 | C06 | H22 | 59.3° | 60.0° |
| C20 | C21 | H6 | H7 | 119.2° | 120.1° |
| C20 | C21 | C22 | H8 | 172.4° | 60.0° |
| C21 | C20 | C19 | H27 | 176.0° | 59.9° |
| C21 | C20 | H28 | H29 | 119.8° | 120.0° |
| H1 | C12 | C13 | H2 | 0.9° | 0.2° |
| H1 | C12 | C11 | H26 | 0.1° | 0.2° |
| H2 | C13 | C14 | H3 | 1.1° | 0.0° |
| H6 | C21 | C22 | H8 | 52.1° | 60.0° |
| H6 | C21 | C20 | H28 | 177.3° | 59.9° |
| H6 | C21 | C20 | H29 | 57.4° | 60.1° |
| H7 | C21 | C22 | H8 | 67.4° | 179.9° |
| H7 | C21 | C20 | H28 | 57.8° | 179.9° |
| H7 | C21 | C20 | H29 | 62.1° | 60.0° |
| H8 | C22 | C24 | H11 | 52.6° | 180.0° |
| H8 | C22 | C24 | H12 | 66.7° | 60.0° |
| H8 | C22 | N23 | H33 | 60.3° | 60.1° |
| H8 | C22 | N23 | H34 | 59.7° | 176.0° |
| H11 | C24 | C25 | H30 | 177.7° | 60.0° |
| H11 | C24 | C25 | H31 | 57.6° | 180.0° |
| H12 | C24 | C25 | H30 | 58.4° | 60.0° |
| H12 | C24 | C25 | H31 | 61.7° | 60.0° |
| H13 | C01 | H14 | H15 | 120.0° | 120.0° |
| H16 | C03 | C04 | H18 | 59.4° | 60.0° |
| H17 | C03 | C04 | H18 | 60.4° | 60.0° |
| H18 | C04 | C05 | H19 | 60.0° | 60.0° |
| H18 | C04 | C05 | H20 | 59.8° | 60.0° |
| H18 | C04 | C08 | H23 | 59.9° | 60.0° |
| H18 | C04 | C08 | H24 | 59.8° | 60.0° |
| H25 | C10 | C11 | H26 | 0.5° | 0.1° |
| H27 | C19 | C20 | H28 | 63.9° | 180.0° |
| H27 | C19 | C20 | H29 | 56.0° | 60.1° |
| H27 | C19 | C25 | H30 | 63.9° | 60.0° |
| H27 | C19 | C25 | H31 | 56.2° | 180.0° |
| H27 | C19 | N18 | H32 | 133.0° | 145.0° |
