YOD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C09 | sing | 1.51Å | 1.54Å | |
| O28 | C19 | doub | 1.21Å | 1.23Å | |
| C17 | C09 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| C10 | C06 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C24 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C19 | N20 | sing | 1.35Å | 1.35Å | |
| C27 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | N20 | sing | 1.47Å | 1.47Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C18 | C07 | sing | 1.53Å | 1.53Å | |
| C18 | C29 | sing | 1.53Å | 1.54Å | |
| C07 | C06 | sing | 1.53Å | 1.54Å | |
| N25 | C24 | sing | 1.47Å | 1.47Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C08 | C04 | sing | 1.53Å | 1.55Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C29 | C04 | sing | 1.53Å | 1.55Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C03 | S02 | sing | 1.81Å | 1.90Å | |
| S02 | C01 | sing | 1.81Å | 1.89Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C01 | H19 | sing | 1.09Å | 1.10Å | |
| C01 | H20 | sing | 1.09Å | 1.10Å | |
| C01 | H21 | sing | 1.09Å | 1.10Å | |
| C03 | H22 | sing | 1.09Å | 1.10Å | |
| C03 | H23 | sing | 1.09Å | 1.10Å | |
| C05 | H24 | sing | 1.09Å | 1.10Å | |
| C05 | H25 | sing | 1.09Å | 1.10Å | |
| C06 | H26 | sing | 1.09Å | 1.10Å | |
| C07 | H27 | sing | 1.09Å | 1.10Å | |
| C07 | H28 | sing | 1.09Å | 1.10Å | |
| C08 | H29 | sing | 1.09Å | 1.10Å | |
| C08 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.08Å | 1.08Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å | |
| N20 | H34 | sing | 0.97Å | 1.00Å | |
| N25 | H35 | sing | 1.01Å | 1.00Å | |
| N25 | H36 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 119.9° | 120.0° |
| C13 | C14 | C15 | 118.9° | 120.0° |
| C14 | C13 | H11 | 120.1° | 120.0° |
| C13 | C14 | H12 | 120.5° | 119.9° |
| C13 | C12 | C11 | 121.9° | 120.0° |
| C12 | C13 | H11 | 120.1° | 120.0° |
| C13 | C12 | H18 | 119.0° | 120.0° |
| C14 | C15 | C16 | 120.9° | 120.0° |
| C15 | C14 | H12 | 120.5° | 120.0° |
| C14 | C15 | H15 | 119.5° | 120.1° |
| C12 | C11 | C16 | 117.2° | 120.0° |
| C12 | C11 | C09 | 122.2° | 120.0° |
| C11 | C12 | H18 | 119.1° | 120.0° |
| C15 | C16 | C11 | 121.2° | 120.0° |
| C16 | C15 | H15 | 119.6° | 119.9° |
| C15 | C16 | H31 | 119.4° | 120.0° |
| C16 | C11 | C09 | 120.6° | 120.0° |
| C11 | C16 | H31 | 119.4° | 120.0° |
| C11 | C09 | C17 | 108.2° | 109.4° |
| C11 | C09 | C10 | 111.3° | 109.4° |
| C11 | C09 | C08 | 112.3° | 109.5° |
| O28 | C19 | C18 | 120.5° | 120.0° |
| O28 | C19 | N20 | 121.9° | 120.0° |
| C09 | C17 | C18 | 111.1° | 109.5° |
| C17 | C09 | C10 | 109.3° | 109.5° |
| C17 | C09 | C08 | 109.1° | 109.5° |
| C09 | C17 | H32 | 109.1° | 109.5° |
| C09 | C17 | H33 | 109.1° | 109.5° |
| C17 | C18 | C19 | 106.5° | 109.4° |
| C17 | C18 | C07 | 109.2° | 109.5° |
| C17 | C18 | C29 | 108.3° | 109.4° |
| C18 | C17 | H32 | 109.0° | 109.4° |
| C18 | C17 | H33 | 109.1° | 109.5° |
| C10 | C09 | C08 | 106.6° | 109.5° |
| C09 | C10 | C06 | 111.1° | 109.4° |
| C09 | C10 | H16 | 109.1° | 109.5° |
| C09 | C10 | H17 | 109.1° | 109.5° |
| C09 | C08 | C04 | 110.2° | 109.5° |
| C09 | C08 | H29 | 109.3° | 109.5° |
| C09 | C08 | H30 | 109.3° | 109.5° |
| C10 | C06 | C07 | 109.3° | 109.5° |
| C10 | C06 | C05 | 109.3° | 109.5° |
| C06 | C10 | H16 | 109.1° | 109.5° |
| C06 | C10 | H17 | 109.1° | 109.5° |
| C10 | C06 | H26 | 109.2° | 109.4° |
| C27 | C26 | C24 | 109.9° | 109.5° |
| C26 | C27 | C21 | 110.8° | 109.5° |
| C27 | C26 | H7 | 109.4° | 109.4° |
| C27 | C26 | H8 | 109.4° | 109.5° |
| C26 | C27 | H9 | 109.1° | 109.4° |
| C26 | C27 | H10 | 109.1° | 109.5° |
| C26 | C24 | N25 | 109.4° | 109.5° |
| C26 | C24 | C23 | 108.7° | 109.4° |
| C26 | C24 | H6 | 109.3° | 109.5° |
| C24 | C26 | H7 | 109.4° | 109.5° |
| C24 | C26 | H8 | 109.3° | 109.4° |
| C18 | C19 | N20 | 117.6° | 120.0° |
| C19 | C18 | C07 | 114.8° | 109.5° |
| C19 | C18 | C29 | 107.6° | 109.5° |
| C19 | N20 | C21 | 121.2° | 120.0° |
| C19 | N20 | H34 | 119.4° | 120.1° |
| C27 | C21 | N20 | 108.2° | 109.5° |
| C27 | C21 | C22 | 112.0° | 109.5° |
| C27 | C21 | H1 | 108.1° | 109.5° |
| C21 | C27 | H9 | 109.1° | 109.5° |
| C21 | C27 | H10 | 109.1° | 109.5° |
| N20 | C21 | C22 | 111.4° | 109.4° |
| N20 | C21 | H1 | 109.0° | 109.4° |
| C21 | N20 | H34 | 119.4° | 120.0° |
| C21 | C22 | C23 | 111.4° | 109.4° |
| C22 | C21 | H1 | 108.0° | 109.5° |
| C21 | C22 | H2 | 109.0° | 109.5° |
| C21 | C22 | H3 | 109.0° | 109.5° |
| C07 | C18 | C29 | 110.1° | 109.5° |
| C18 | C07 | C06 | 108.6° | 109.5° |
| C18 | C07 | H27 | 109.7° | 109.5° |
| C18 | C07 | H28 | 109.7° | 109.5° |
| C18 | C29 | C04 | 110.7° | 109.5° |
| C18 | C29 | H13 | 109.2° | 109.5° |
| C18 | C29 | H14 | 109.2° | 109.5° |
| C07 | C06 | C05 | 110.8° | 109.5° |
| C07 | C06 | H26 | 109.1° | 109.5° |
| C06 | C07 | H27 | 109.7° | 109.5° |
| C06 | C07 | H28 | 109.7° | 109.5° |
| N25 | C24 | C23 | 109.7° | 109.5° |
| N25 | C24 | H6 | 110.3° | 109.5° |
| C24 | N25 | H35 | 109.5° | 111.0° |
| C24 | N25 | H36 | 109.5° | 111.0° |
| C06 | C05 | C04 | 109.1° | 109.5° |
| C06 | C05 | H24 | 109.6° | 109.5° |
| C06 | C05 | H25 | 109.6° | 109.5° |
| C05 | C06 | H26 | 109.2° | 109.5° |
| C08 | C04 | C29 | 110.0° | 109.5° |
| C08 | C04 | C05 | 110.0° | 109.4° |
| C08 | C04 | C03 | 111.9° | 109.5° |
| C04 | C08 | H29 | 109.3° | 109.5° |
| C04 | C08 | H30 | 109.3° | 109.4° |
| C24 | C23 | C22 | 110.8° | 109.5° |
| C24 | C23 | H4 | 109.2° | 109.5° |
| C24 | C23 | H5 | 109.1° | 109.4° |
| C23 | C24 | H6 | 109.4° | 109.5° |
| C23 | C22 | H2 | 109.0° | 109.4° |
| C23 | C22 | H3 | 109.0° | 109.5° |
| C22 | C23 | H4 | 109.1° | 109.5° |
| C22 | C23 | H5 | 109.2° | 109.5° |
| C29 | C04 | C05 | 107.4° | 109.5° |
| C29 | C04 | C03 | 106.0° | 109.5° |
| C04 | C29 | H13 | 109.2° | 109.5° |
| C04 | C29 | H14 | 109.1° | 109.4° |
| C05 | C04 | C03 | 111.4° | 109.5° |
| C04 | C05 | H24 | 109.6° | 109.4° |
| C04 | C05 | H25 | 109.6° | 109.4° |
| C04 | C03 | S02 | 114.4° | 109.4° |
| C04 | C03 | H22 | 108.2° | 109.4° |
| C04 | C03 | H23 | 108.2° | 109.5° |
| C03 | S02 | C01 | 96.7° | 103.0° |
| S02 | C03 | H22 | 108.2° | 109.4° |
| S02 | C03 | H23 | 108.2° | 109.5° |
| S02 | C01 | H19 | 109.5° | 109.4° |
| S02 | C01 | H20 | 109.5° | 109.5° |
| S02 | C01 | H21 | 109.5° | 109.5° |
| H2 | C22 | H3 | 109.5° | 109.5° |
| H4 | C23 | H5 | 109.5° | 109.5° |
| H7 | C26 | H8 | 109.5° | 109.5° |
| H9 | C27 | H10 | 109.5° | 109.4° |
| H13 | C29 | H14 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H19 | C01 | H20 | 109.5° | 109.5° |
| H19 | C01 | H21 | 109.5° | 109.5° |
| H20 | C01 | H21 | 109.5° | 109.5° |
| H22 | C03 | H23 | 109.5° | 109.5° |
| H24 | C05 | H25 | 109.5° | 109.4° |
| H27 | C07 | H28 | 109.5° | 109.4° |
| H29 | C08 | H30 | 109.5° | 109.4° |
| H32 | C17 | H33 | 109.4° | 109.5° |
| H35 | N25 | H36 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H11 | 180.0° | 179.8° |
| C13 | C14 | C15 | H12 | 180.0° | 179.8° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C13 | C14 | C15 | C16 | 0.7° | 0.5° |
| C13 | C14 | C15 | H15 | 179.3° | 180.0° |
| C14 | C13 | C12 | H18 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.2° |
| C13 | C12 | C11 | H18 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.1° | 0.0° |
| C13 | C12 | C11 | C09 | 179.7° | 179.7° |
| C12 | C13 | C14 | H12 | 179.8° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.5° |
| C14 | C15 | C16 | C11 | 0.9° | 0.5° |
| C15 | C14 | C13 | H11 | 179.8° | 180.0° |
| C14 | C15 | C16 | H31 | 179.1° | 179.5° |
| C12 | C11 | C16 | C15 | 0.6° | 0.3° |
| C12 | C11 | C16 | C09 | 179.8° | 179.7° |
| C12 | C11 | C09 | C17 | 53.1° | 120.3° |
| C12 | C11 | C09 | C10 | 66.9° | 119.7° |
| C12 | C11 | C09 | C08 | 173.6° | 0.3° |
| C11 | C12 | C13 | H11 | 179.9° | 179.8° |
| C12 | C11 | C16 | H31 | 179.4° | 179.7° |
| C15 | C16 | C11 | H31 | 180.0° | 179.9° |
| C15 | C16 | C11 | C09 | 179.2° | 180.0° |
| C16 | C15 | C14 | H12 | 179.3° | 179.7° |
| C16 | C11 | C09 | C17 | 127.1° | 60.0° |
| C16 | C11 | C09 | C10 | 112.9° | 60.0° |
| C16 | C11 | C09 | C08 | 6.6° | 180.0° |
| C11 | C16 | C15 | H15 | 179.1° | 180.0° |
| C16 | C11 | C12 | H18 | 179.9° | 180.0° |
| C11 | C09 | C17 | C10 | 121.3° | 120.0° |
| C11 | C09 | C17 | C08 | 122.5° | 120.0° |
| C11 | C09 | C17 | C18 | 177.8° | 180.0° |
| C11 | C09 | C10 | C08 | 122.8° | 120.0° |
| C11 | C09 | C10 | C06 | 175.9° | 180.0° |
| C11 | C09 | C08 | C04 | 177.7° | 180.0° |
| C11 | C09 | C10 | H16 | 63.8° | 60.0° |
| C11 | C09 | C10 | H17 | 55.7° | 60.0° |
| C09 | C11 | C12 | H18 | 0.3° | 0.3° |
| C11 | C09 | C08 | H29 | 57.6° | 60.0° |
| C11 | C09 | C08 | H30 | 62.2° | 60.0° |
| C09 | C11 | C16 | H31 | 0.8° | 0.0° |
| C11 | C09 | C17 | H32 | 57.5° | 60.0° |
| C11 | C09 | C17 | H33 | 62.0° | 60.0° |
| O28 | C19 | C18 | C17 | 13.3° | 120.0° |
| O28 | C19 | C18 | N20 | 179.1° | 179.9° |
| O28 | C19 | N20 | C21 | 0.0° | 0.1° |
| O28 | C19 | C18 | C07 | 134.3° | 120.0° |
| O28 | C19 | C18 | C29 | 102.7° | 0.1° |
| O28 | C19 | N20 | H34 | 180.0° | 180.0° |
| C09 | C17 | C18 | H32 | 120.3° | 120.0° |
| C09 | C17 | C18 | H33 | 120.3° | 120.0° |
| C17 | C09 | C10 | C08 | 117.8° | 120.0° |
| C17 | C09 | C10 | C06 | 56.5° | 60.0° |
| C09 | C17 | C18 | C19 | 175.8° | 180.0° |
| C09 | C17 | C18 | C07 | 59.7° | 60.0° |
| C09 | C17 | C18 | C29 | 60.2° | 60.0° |
| C17 | C09 | C08 | C04 | 57.8° | 60.0° |
| C17 | C09 | C10 | H16 | 176.8° | 60.0° |
| C17 | C09 | C10 | H17 | 63.7° | 180.0° |
| C17 | C09 | C08 | H29 | 62.4° | 180.0° |
| C17 | C09 | C08 | H30 | 177.9° | 60.0° |
| C09 | C17 | H32 | H33 | 119.3° | 120.1° |
| C18 | C17 | C09 | C10 | 56.4° | 60.0° |
| C18 | C17 | C09 | C08 | 59.8° | 60.0° |
| C17 | C18 | C19 | C07 | 121.1° | 120.0° |
| C17 | C18 | C19 | C29 | 116.0° | 119.9° |
| C17 | C18 | C19 | N20 | 165.9° | 60.0° |
| C17 | C18 | C07 | C29 | 118.8° | 120.0° |
| C17 | C18 | C07 | C06 | 61.3° | 60.0° |
| C17 | C18 | C29 | C04 | 59.3° | 60.0° |
| C17 | C18 | C29 | H13 | 179.4° | 60.0° |
| C17 | C18 | C29 | H14 | 60.9° | 180.0° |
| C17 | C18 | C07 | H27 | 58.5° | 180.0° |
| C17 | C18 | C07 | H28 | 178.8° | 60.0° |
| C18 | C17 | H32 | H33 | 119.2° | 120.0° |
| C09 | C10 | C06 | H16 | 120.3° | 120.0° |
| C09 | C10 | C06 | H17 | 120.2° | 120.0° |
| C09 | C10 | C06 | C07 | 59.6° | 60.0° |
| C09 | C10 | C06 | C05 | 61.8° | 60.0° |
| C10 | C09 | C08 | C04 | 60.1° | 60.0° |
| C09 | C10 | H16 | H17 | 119.3° | 120.0° |
| C09 | C10 | C06 | H26 | 178.9° | 180.0° |
| C10 | C09 | C08 | H29 | 179.7° | 60.0° |
| C10 | C09 | C08 | H30 | 60.0° | 180.0° |
| C10 | C09 | C17 | H32 | 63.8° | 59.9° |
| C10 | C09 | C17 | H33 | 176.7° | 180.0° |
| C08 | C09 | C10 | C06 | 61.3° | 60.0° |
| C09 | C08 | C04 | H29 | 120.1° | 120.0° |
| C09 | C08 | C04 | H30 | 120.1° | 120.0° |
| C09 | C08 | C04 | C29 | 57.6° | 60.0° |
| C09 | C08 | C04 | C05 | 60.5° | 60.0° |
| C09 | C08 | C04 | C03 | 175.1° | 180.0° |
| C08 | C09 | C10 | H16 | 59.0° | 180.0° |
| C08 | C09 | C10 | H17 | 178.4° | 60.0° |
| C09 | C08 | H29 | H30 | 119.7° | 120.0° |
| C08 | C09 | C17 | H32 | 179.9° | 180.0° |
| C08 | C09 | C17 | H33 | 60.5° | 60.0° |
| C10 | C06 | C07 | C18 | 61.5° | 60.0° |
| C10 | C06 | C07 | C05 | 120.5° | 120.0° |
| C10 | C06 | C07 | H26 | 119.3° | 120.0° |
| C10 | C06 | C05 | H26 | 119.3° | 119.9° |
| C10 | C06 | C05 | C04 | 58.8° | 60.0° |
| C06 | C10 | H16 | H17 | 119.3° | 120.0° |
| C10 | C06 | C05 | H24 | 61.1° | 180.0° |
| C10 | C06 | C05 | H25 | 178.8° | 60.0° |
| C10 | C06 | C07 | H27 | 58.4° | 179.9° |
| C10 | C06 | C07 | H28 | 178.6° | 60.0° |
| C27 | C26 | C24 | H7 | 120.1° | 120.0° |
| C27 | C26 | C24 | H8 | 120.1° | 120.0° |
| C26 | C27 | C21 | H9 | 120.2° | 120.0° |
| C26 | C27 | C21 | H10 | 120.2° | 120.0° |
| C26 | C27 | C21 | N20 | 176.7° | 180.0° |
| C26 | C27 | C21 | C22 | 53.5° | 60.0° |
| C27 | C26 | C24 | N25 | 178.6° | 180.0° |
| C27 | C26 | C24 | C23 | 61.6° | 60.0° |
| C26 | C27 | C21 | H1 | 65.4° | 60.0° |
| C27 | C26 | C24 | H6 | 57.8° | 60.0° |
| C27 | C26 | H7 | H8 | 119.8° | 120.0° |
| C26 | C27 | H9 | H10 | 119.4° | 120.0° |
| C24 | C26 | C27 | C21 | 58.5° | 60.0° |
| C26 | C24 | N25 | C23 | 119.2° | 120.0° |
| C26 | C24 | N25 | H6 | 120.3° | 120.0° |
| C26 | C24 | C23 | H6 | 119.3° | 120.0° |
| C26 | C24 | C23 | C22 | 60.2° | 60.0° |
| C26 | C24 | C23 | H4 | 179.6° | 60.0° |
| C26 | C24 | C23 | H5 | 60.0° | 180.0° |
| C24 | C26 | H7 | H8 | 119.8° | 120.0° |
| C24 | C26 | C27 | H9 | 178.7° | 60.0° |
| C24 | C26 | C27 | H10 | 61.7° | 180.0° |
| C26 | C24 | N25 | H35 | 180.0° | 60.0° |
| C26 | C24 | N25 | H36 | 60.0° | 63.9° |
| C18 | C19 | N20 | C21 | 179.1° | 180.0° |
| C19 | C18 | C07 | C29 | 121.6° | 120.0° |
| C19 | C18 | C07 | C06 | 179.1° | 180.0° |
| C19 | C18 | C29 | C04 | 174.1° | 180.0° |
| C19 | C18 | C29 | H13 | 65.8° | 60.0° |
| C19 | C18 | C29 | H14 | 53.9° | 60.1° |
| C19 | C18 | C07 | H27 | 61.0° | 60.0° |
| C19 | C18 | C07 | H28 | 59.2° | 60.0° |
| C19 | C18 | C17 | H32 | 64.0° | 60.1° |
| C19 | C18 | C17 | H33 | 55.5° | 60.0° |
| C18 | C19 | N20 | H34 | 0.9° | 0.0° |
| C19 | N20 | C21 | C27 | 132.2° | 85.0° |
| C19 | N20 | C21 | H34 | 180.0° | 180.0° |
| C19 | N20 | C21 | C22 | 104.3° | 155.0° |
| N20 | C19 | C18 | C07 | 44.8° | 60.0° |
| N20 | C19 | C18 | C29 | 78.2° | 180.0° |
| C19 | N20 | C21 | H1 | 14.9° | 35.1° |
| C27 | C21 | N20 | C22 | 123.5° | 120.0° |
| C27 | C21 | N20 | H1 | 117.3° | 120.1° |
| C27 | C21 | C22 | H1 | 118.9° | 120.0° |
| C27 | C21 | C22 | C23 | 52.1° | 60.0° |
| C27 | C21 | C22 | H2 | 172.3° | 180.0° |
| C27 | C21 | C22 | H3 | 68.3° | 60.0° |
| C21 | C27 | C26 | H7 | 178.6° | 60.0° |
| C21 | C27 | C26 | H8 | 61.6° | 180.0° |
| C21 | C27 | H9 | H10 | 119.4° | 120.0° |
| C27 | C21 | N20 | H34 | 47.8° | 95.0° |
| N20 | C21 | C22 | H1 | 119.7° | 119.9° |
| N20 | C21 | C22 | C23 | 173.4° | 180.0° |
| N20 | C21 | C22 | H2 | 66.4° | 60.0° |
| N20 | C21 | C22 | H3 | 53.1° | 60.1° |
| N20 | C21 | C27 | H9 | 63.1° | 60.0° |
| N20 | C21 | C27 | H10 | 56.5° | 60.0° |
| C21 | C22 | C23 | C24 | 55.6° | 60.0° |
| C21 | C22 | C23 | H2 | 120.3° | 120.0° |
| C21 | C22 | C23 | H3 | 120.3° | 120.0° |
| C21 | C22 | H2 | H3 | 119.1° | 120.0° |
| C21 | C22 | C23 | H4 | 175.9° | 60.0° |
| C21 | C22 | C23 | H5 | 64.5° | 180.0° |
| C22 | C21 | C27 | H9 | 173.7° | 60.0° |
| C22 | C21 | C27 | H10 | 66.7° | 180.0° |
| C22 | C21 | N20 | H34 | 75.7° | 25.0° |
| C18 | C07 | C06 | H27 | 119.9° | 120.0° |
| C18 | C07 | C06 | H28 | 119.9° | 120.1° |
| C18 | C07 | C06 | C05 | 59.0° | 60.0° |
| C07 | C18 | C29 | C04 | 60.1° | 60.0° |
| C07 | C18 | C29 | H13 | 60.1° | 180.0° |
| C07 | C18 | C29 | H14 | 179.7° | 60.0° |
| C18 | C07 | C06 | H26 | 179.2° | 180.0° |
| C18 | C07 | H27 | H28 | 120.4° | 120.0° |
| C07 | C18 | C17 | H32 | 60.6° | 60.0° |
| C07 | C18 | C17 | H33 | 179.9° | 180.0° |
| C29 | C18 | C07 | C06 | 57.5° | 60.0° |
| C18 | C29 | C04 | C08 | 58.8° | 60.0° |
| C18 | C29 | C04 | H13 | 120.2° | 120.1° |
| C18 | C29 | C04 | H14 | 120.2° | 119.9° |
| C18 | C29 | C04 | C05 | 60.9° | 59.9° |
| C18 | C29 | C04 | C03 | 180.0° | 180.0° |
| C18 | C29 | H13 | H14 | 119.5° | 120.0° |
| C29 | C18 | C07 | H27 | 177.3° | 60.0° |
| C29 | C18 | C07 | H28 | 62.4° | 180.0° |
| C29 | C18 | C17 | H32 | 179.5° | 180.0° |
| C29 | C18 | C17 | H33 | 60.0° | 60.0° |
| C07 | C06 | C05 | H26 | 120.2° | 120.0° |
| C07 | C06 | C05 | C04 | 61.7° | 60.0° |
| C07 | C06 | C10 | H16 | 179.9° | 60.0° |
| C07 | C06 | C10 | H17 | 60.6° | 180.0° |
| C07 | C06 | C05 | H24 | 178.4° | 60.0° |
| C07 | C06 | C05 | H25 | 58.3° | 180.0° |
| C06 | C07 | H27 | H28 | 120.4° | 119.9° |
| N25 | C24 | C23 | H6 | 121.0° | 120.0° |
| N25 | C24 | C23 | C22 | 179.9° | 180.0° |
| N25 | C24 | C23 | H4 | 59.9° | 60.0° |
| N25 | C24 | C23 | H5 | 59.7° | 60.0° |
| N25 | C24 | C26 | H7 | 58.6° | 60.0° |
| N25 | C24 | C26 | H8 | 61.3° | 60.0° |
| C24 | N25 | H35 | H36 | 120.0° | 123.9° |
| C06 | C05 | C04 | C08 | 58.7° | 60.0° |
| C06 | C05 | C04 | C29 | 61.0° | 60.0° |
| C06 | C05 | C04 | H24 | 119.9° | 120.0° |
| C06 | C05 | C04 | H25 | 119.9° | 120.0° |
| C06 | C05 | C04 | C03 | 176.6° | 180.0° |
| C05 | C06 | C10 | H16 | 58.4° | 180.0° |
| C05 | C06 | C10 | H17 | 177.9° | 60.0° |
| C06 | C05 | H24 | H25 | 120.2° | 120.1° |
| C05 | C06 | C07 | H27 | 178.9° | 60.0° |
| C05 | C06 | C07 | H28 | 60.9° | 180.0° |
| C08 | C04 | C29 | C05 | 119.7° | 120.0° |
| C08 | C04 | C29 | C03 | 121.1° | 120.0° |
| C08 | C04 | C05 | C03 | 124.7° | 120.0° |
| C08 | C04 | C03 | S02 | 51.3° | 180.0° |
| C08 | C04 | C29 | H13 | 179.0° | 60.0° |
| C08 | C04 | C29 | H14 | 61.3° | 180.0° |
| C08 | C04 | C03 | H22 | 172.0° | 60.1° |
| C08 | C04 | C03 | H23 | 69.4° | 60.0° |
| C08 | C04 | C05 | H24 | 61.2° | 180.0° |
| C08 | C04 | C05 | H25 | 178.7° | 60.0° |
| C04 | C08 | H29 | H30 | 119.7° | 119.9° |
| C24 | C23 | C22 | H4 | 120.2° | 120.0° |
| C24 | C23 | C22 | H5 | 120.2° | 120.0° |
| C24 | C23 | C22 | H2 | 175.9° | 180.0° |
| C24 | C23 | C22 | H3 | 64.6° | 59.9° |
| C24 | C23 | H4 | H5 | 119.4° | 119.9° |
| C23 | C24 | C26 | H7 | 178.4° | 60.0° |
| C23 | C24 | C26 | H8 | 58.5° | 180.0° |
| C23 | C24 | N25 | H35 | 60.8° | 179.9° |
| C23 | C24 | N25 | H36 | 179.2° | 56.1° |
| C23 | C22 | C21 | H1 | 66.9° | 60.0° |
| C23 | C22 | H2 | H3 | 119.1° | 120.0° |
| C22 | C23 | H4 | H5 | 119.4° | 120.0° |
| C22 | C23 | C24 | H6 | 59.1° | 60.0° |
| C29 | C04 | C05 | C03 | 115.6° | 120.1° |
| C29 | C04 | C03 | S02 | 171.2° | 60.0° |
| C04 | C29 | H13 | H14 | 119.4° | 119.9° |
| C29 | C04 | C03 | H22 | 68.1° | 59.9° |
| C29 | C04 | C03 | H23 | 50.5° | 180.0° |
| C29 | C04 | C05 | H24 | 179.1° | 60.1° |
| C29 | C04 | C05 | H25 | 59.0° | 180.0° |
| C29 | C04 | C08 | H29 | 62.5° | 180.0° |
| C29 | C04 | C08 | H30 | 177.7° | 60.0° |
| C05 | C04 | C03 | S02 | 72.3° | 60.1° |
| C05 | C04 | C29 | H13 | 59.3° | 180.0° |
| C05 | C04 | C29 | H14 | 178.9° | 60.0° |
| C05 | C04 | C03 | H22 | 48.4° | 180.0° |
| C05 | C04 | C03 | H23 | 167.0° | 60.0° |
| C04 | C05 | H24 | H25 | 120.2° | 119.9° |
| C04 | C05 | C06 | H26 | 178.1° | 180.0° |
| C05 | C04 | C08 | H29 | 179.4° | 60.0° |
| C05 | C04 | C08 | H30 | 59.6° | 180.0° |
| C04 | C03 | S02 | H22 | 120.7° | 119.9° |
| C04 | C03 | S02 | H23 | 120.7° | 120.1° |
| C04 | C03 | S02 | C01 | 106.3° | 180.0° |
| C03 | C04 | C29 | H13 | 59.9° | 60.0° |
| C03 | C04 | C29 | H14 | 59.8° | 60.0° |
| C04 | C03 | H22 | H23 | 117.7° | 120.1° |
| C03 | C04 | C05 | H24 | 63.5° | 60.0° |
| C03 | C04 | C05 | H25 | 56.7° | 59.9° |
| C03 | C04 | C08 | H29 | 55.0° | 59.9° |
| C03 | C04 | C08 | H30 | 64.8° | 60.0° |
| C03 | S02 | C01 | H19 | 180.0° | 60.0° |
| C03 | S02 | C01 | H20 | 60.0° | 60.0° |
| C03 | S02 | C01 | H21 | 60.0° | 180.0° |
| S02 | C03 | H22 | H23 | 117.7° | 120.0° |
| S02 | C01 | H19 | H20 | 120.0° | 120.0° |
| S02 | C01 | H19 | H21 | 120.0° | 120.0° |
| S02 | C01 | H20 | H21 | 120.0° | 120.0° |
| C01 | S02 | C03 | H22 | 14.5° | 60.0° |
| C01 | S02 | C03 | H23 | 133.0° | 60.0° |
| H1 | C21 | C22 | H2 | 53.4° | 59.9° |
| H1 | C21 | C22 | H3 | 172.8° | 180.0° |
| H1 | C21 | C27 | H9 | 54.8° | 180.0° |
| H1 | C21 | C27 | H10 | 174.4° | 60.0° |
| H1 | C21 | N20 | H34 | 165.1° | 145.0° |
| H2 | C22 | C23 | H4 | 63.9° | 60.0° |
| H2 | C22 | C23 | H5 | 55.7° | 60.1° |
| H3 | C22 | C23 | H4 | 55.6° | 180.0° |
| H3 | C22 | C23 | H5 | 175.2° | 60.0° |
| H4 | C23 | C24 | H6 | 61.1° | 179.9° |
| H5 | C23 | C24 | H6 | 179.3° | 60.0° |
| H6 | C24 | C26 | H7 | 62.3° | 180.0° |
| H6 | C24 | C26 | H8 | 177.8° | 60.0° |
| H6 | C24 | N25 | H35 | 59.7° | 60.1° |
| H6 | C24 | N25 | H36 | 60.3° | 176.0° |
| H7 | C26 | C27 | H9 | 61.2° | 180.0° |
| H7 | C26 | C27 | H10 | 58.3° | 60.0° |
| H8 | C26 | C27 | H9 | 58.7° | 60.0° |
| H8 | C26 | C27 | H10 | 178.2° | 60.0° |
| H11 | C13 | C14 | H12 | 0.2° | 0.2° |
| H11 | C13 | C12 | H18 | 0.1° | 0.2° |
| H12 | C14 | C15 | H15 | 0.7° | 0.2° |
| H15 | C15 | C16 | H31 | 0.9° | 0.0° |
| H16 | C10 | C06 | H26 | 60.9° | 60.0° |
| H17 | C10 | C06 | H26 | 58.6° | 60.0° |
| H19 | C01 | H20 | H21 | 120.0° | 120.0° |
| H24 | C05 | C06 | H26 | 58.2° | 60.0° |
| H25 | C05 | C06 | H26 | 61.9° | 60.0° |
| H26 | C06 | C07 | H27 | 60.9° | 60.0° |
| H26 | C06 | C07 | H28 | 59.4° | 59.9° |
