YIL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C35 | sing | 1.51Å | 1.52Å | |
| O43 | C35 | doub | 1.21Å | 1.17Å | |
| C35 | N34 | sing | 1.35Å | 1.48Å | |
| N34 | C33 | sing | 1.46Å | 1.56Å | |
| C33 | C32 | sing | 1.51Å | 1.54Å | |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C44 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.51Å | 1.54Å | |
| C30 | C46 | doub | 1.38Å | 1.40Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.52Å | |
| N24 | C23 | doub | 1.30Å | 1.39Å | |
| C28 | O47 | doub | 1.21Å | 1.19Å | |
| C28 | N27 | sing | 1.35Å | 1.47Å | |
| C23 | N22 | sing | 1.37Å | 1.42Å | |
| C23 | N25 | sing | 1.37Å | 1.26Å | |
| N22 | C21 | sing | 1.47Å | 1.44Å | |
| N27 | C04 | sing | 1.47Å | 1.43Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.56Å | |
| O26 | C05 | doub | 1.21Å | 1.22Å | |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.52Å | |
| C05 | N06 | sing | 1.35Å | 1.44Å | |
| C02 | C48 | sing | 1.53Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.57Å | |
| C02 | C01 | sing | 1.53Å | 1.56Å | |
| N06 | C07 | sing | 1.47Å | 1.46Å | |
| C19 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.50Å | |
| C08 | C10 | sing | 1.51Å | 1.54Å | |
| C08 | O09 | sing | 1.43Å | 1.37Å | |
| N11 | C10 | doub | 1.28Å | 1.36Å | Aromatic |
| N11 | C12 | sing | 1.35Å | 1.42Å | Aromatic |
| C10 | S18 | sing | 1.71Å | 1.68Å | Aromatic |
| C12 | C17 | doub | 1.41Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.36Å | 1.42Å | Aromatic |
| S18 | C13 | sing | 1.76Å | 1.69Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | H1 | sing | 1.09Å | 1.10Å | |
| C33 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C29 | H9 | sing | 1.09Å | 1.10Å | |
| C29 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.08Å | 1.08Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C02 | 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 | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C15 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C44 | H28 | sing | 1.08Å | 1.08Å | |
| C45 | H29 | sing | 1.08Å | 1.08Å | |
| C46 | H30 | sing | 1.08Å | 1.08Å | |
| C48 | H31 | sing | 1.09Å | 1.10Å | |
| C48 | H32 | sing | 1.09Å | 1.10Å | |
| C48 | H33 | sing | 1.09Å | 1.10Å | |
| N06 | H34 | sing | 0.97Å | 1.00Å | |
| N22 | H35 | sing | 0.97Å | 1.00Å | |
| N24 | H36 | sing | 0.97Å | 1.00Å | |
| N25 | H37 | sing | 0.97Å | 1.00Å | |
| N25 | H38 | sing | 0.97Å | 1.00Å | |
| N27 | H39 | sing | 0.97Å | 1.00Å | |
| N34 | H40 | sing | 0.97Å | 1.00Å | |
| O09 | H41 | sing | 0.97Å | 0.95Å | |
| C08 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | O43 | 120.7° | 120.0° |
| C36 | C35 | N34 | 120.4° | 120.0° |
| C35 | C36 | H25 | 109.5° | 109.5° |
| C35 | C36 | H26 | 109.4° | 109.5° |
| C35 | C36 | H27 | 109.5° | 109.5° |
| O43 | C35 | N34 | 118.9° | 120.0° |
| C35 | N34 | C33 | 118.4° | 120.0° |
| C35 | N34 | H40 | 120.8° | 120.0° |
| N34 | C33 | C32 | 112.7° | 109.5° |
| N34 | C33 | H1 | 108.6° | 109.5° |
| N34 | C33 | H2 | 108.7° | 109.5° |
| C33 | N34 | H40 | 120.8° | 120.0° |
| C33 | C32 | C31 | 119.2° | 120.0° |
| C33 | C32 | C44 | 120.9° | 120.0° |
| C32 | C33 | H1 | 108.7° | 109.5° |
| C32 | C33 | H2 | 108.6° | 109.4° |
| C31 | C32 | C44 | 119.8° | 120.0° |
| C32 | C31 | C30 | 120.5° | 120.0° |
| C32 | C31 | H11 | 119.7° | 119.9° |
| C32 | C44 | C45 | 119.9° | 120.0° |
| C32 | C44 | H28 | 120.1° | 120.0° |
| C31 | C30 | C29 | 119.2° | 120.0° |
| C31 | C30 | C46 | 119.7° | 120.1° |
| C30 | C31 | H11 | 119.7° | 120.1° |
| C44 | C45 | C46 | 120.3° | 120.0° |
| C45 | C44 | H28 | 120.0° | 120.0° |
| C44 | C45 | H29 | 119.8° | 120.0° |
| C29 | C30 | C46 | 121.1° | 120.0° |
| C30 | C29 | C28 | 111.2° | 109.4° |
| C30 | C29 | H9 | 109.0° | 109.5° |
| C30 | C29 | H10 | 109.0° | 109.5° |
| C30 | C46 | C45 | 119.7° | 120.0° |
| C30 | C46 | H30 | 120.1° | 120.0° |
| C46 | C45 | H29 | 119.8° | 120.0° |
| C45 | C46 | H30 | 120.2° | 120.0° |
| C29 | C28 | O47 | 125.4° | 120.0° |
| C29 | C28 | N27 | 115.2° | 120.0° |
| C28 | C29 | H9 | 109.0° | 109.5° |
| C28 | C29 | H10 | 109.0° | 109.4° |
| N24 | C23 | N22 | 116.4° | 120.0° |
| N24 | C23 | N25 | 123.9° | 120.0° |
| C23 | N24 | H36 | 112.0° | 120.0° |
| O47 | C28 | N27 | 119.4° | 120.0° |
| C28 | N27 | C04 | 119.0° | 120.0° |
| C28 | N27 | H39 | 120.5° | 120.0° |
| N22 | C23 | N25 | 119.6° | 120.0° |
| C23 | N22 | C21 | 121.3° | 120.0° |
| C23 | N22 | H35 | 119.3° | 120.1° |
| C23 | N25 | H37 | 120.0° | 120.0° |
| C23 | N25 | H38 | 120.0° | 120.0° |
| N22 | C21 | C20 | 105.8° | 109.5° |
| N22 | C21 | H5 | 110.4° | 109.4° |
| N22 | C21 | H6 | 110.4° | 109.4° |
| C21 | N22 | H35 | 119.4° | 119.9° |
| N27 | C04 | C05 | 110.1° | 109.5° |
| N27 | C04 | C03 | 109.5° | 109.5° |
| N27 | C04 | H18 | 110.6° | 109.5° |
| C04 | N27 | H39 | 120.5° | 120.0° |
| C21 | C20 | C19 | 109.8° | 109.5° |
| C20 | C21 | H5 | 110.4° | 109.4° |
| C20 | C21 | H6 | 110.4° | 109.5° |
| C21 | C20 | H7 | 109.4° | 109.5° |
| C21 | C20 | H8 | 109.4° | 109.4° |
| C20 | C19 | C07 | 109.4° | 109.4° |
| C19 | C20 | H7 | 109.4° | 109.5° |
| C19 | C20 | H8 | 109.4° | 109.5° |
| C20 | C19 | H23 | 109.5° | 109.5° |
| C20 | C19 | H24 | 109.5° | 109.4° |
| O26 | C05 | C04 | 125.2° | 120.0° |
| O26 | C05 | N06 | 122.4° | 120.0° |
| C05 | C04 | C03 | 107.9° | 109.5° |
| C04 | C05 | N06 | 112.4° | 120.0° |
| C05 | C04 | H18 | 109.3° | 109.5° |
| C04 | C03 | C02 | 113.2° | 109.5° |
| C04 | C03 | H16 | 108.5° | 109.4° |
| C04 | C03 | H17 | 108.5° | 109.4° |
| C03 | C04 | H18 | 109.4° | 109.5° |
| C05 | N06 | C07 | 120.0° | 120.0° |
| C05 | N06 | H34 | 120.0° | 120.0° |
| C48 | C02 | C03 | 111.0° | 109.4° |
| C48 | C02 | C01 | 110.5° | 109.5° |
| C48 | C02 | H15 | 109.4° | 109.5° |
| C02 | C48 | H31 | 109.5° | 109.5° |
| C02 | C48 | H32 | 109.5° | 109.4° |
| C02 | C48 | H33 | 109.5° | 109.5° |
| C03 | C02 | C01 | 107.3° | 109.5° |
| C03 | C02 | H15 | 109.2° | 109.4° |
| C02 | C03 | H16 | 108.5° | 109.5° |
| C02 | C03 | H17 | 108.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.4° |
| C02 | C01 | H14 | 109.4° | 109.5° |
| C01 | C02 | H15 | 109.3° | 109.5° |
| N06 | C07 | C19 | 107.5° | 109.5° |
| N06 | C07 | C08 | 110.0° | 109.5° |
| N06 | C07 | H19 | 110.5° | 109.5° |
| C07 | N06 | H34 | 120.0° | 119.9° |
| C19 | C07 | C08 | 109.7° | 109.4° |
| C19 | C07 | H19 | 109.4° | 109.5° |
| C07 | C19 | H23 | 109.5° | 109.5° |
| C07 | C19 | H24 | 109.5° | 109.5° |
| C07 | C08 | C10 | 115.0° | 109.5° |
| C07 | C08 | O09 | 109.7° | 109.5° |
| C08 | C07 | H19 | 109.8° | 109.5° |
| C07 | C08 | O1 | 108.6° | 109.5° |
| C10 | C08 | O09 | 103.7° | 109.5° |
| C08 | C10 | N11 | 122.6° | 124.3° |
| C08 | C10 | S18 | 124.1° | 124.2° |
| C10 | C08 | O1 | 107.6° | 109.4° |
| C08 | O09 | H41 | 109.5° | 114.0° |
| O09 | C08 | O1 | 112.2° | 109.5° |
| C10 | N11 | C12 | 109.4° | 117.9° |
| N11 | C10 | S18 | 113.2° | 111.5° |
| N11 | C12 | C17 | 123.3° | 129.7° |
| N11 | C12 | C13 | 115.1° | 111.8° |
| C10 | S18 | C13 | 93.9° | 90.8° |
| C17 | C12 | C13 | 121.7° | 118.5° |
| C12 | C17 | C16 | 118.8° | 120.4° |
| C12 | C17 | H4 | 120.6° | 119.8° |
| C12 | C13 | S18 | 108.5° | 108.0° |
| C12 | C13 | C14 | 118.9° | 120.3° |
| C17 | C16 | C15 | 119.9° | 120.7° |
| C17 | C16 | H3 | 120.0° | 119.6° |
| C16 | C17 | H4 | 120.6° | 119.7° |
| S18 | C13 | C14 | 132.6° | 131.7° |
| C13 | C14 | C15 | 119.7° | 120.0° |
| C13 | C14 | H21 | 120.2° | 120.0° |
| C16 | C15 | C14 | 121.1° | 120.1° |
| C15 | C16 | H3 | 120.0° | 119.6° |
| C16 | C15 | H22 | 119.4° | 119.9° |
| C15 | C14 | H21 | 120.2° | 120.0° |
| C14 | C15 | H22 | 119.5° | 120.0° |
| H1 | C33 | H2 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.5° | 109.5° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H9 | C29 | H10 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H14 | 109.4° | 109.5° |
| H13 | C01 | H14 | 109.5° | 109.4° |
| H16 | C03 | H17 | 109.5° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H25 | C36 | H26 | 109.4° | 109.5° |
| H25 | C36 | H27 | 109.4° | 109.5° |
| H26 | C36 | H27 | 109.5° | 109.5° |
| H31 | C48 | H32 | 109.5° | 109.5° |
| H31 | C48 | H33 | 109.5° | 109.5° |
| H32 | C48 | H33 | 109.5° | 109.5° |
| H37 | N25 | H38 | 120.0° | 120.0° |
| C08 | O1 | H20 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | O43 | N34 | 179.4° | 180.0° |
| C36 | C35 | N34 | C33 | 179.9° | 180.0° |
| C35 | C36 | H25 | H26 | 120.0° | 120.0° |
| C35 | C36 | H25 | H27 | 120.0° | 120.0° |
| C35 | C36 | H26 | H27 | 120.0° | 120.0° |
| C36 | C35 | N34 | H40 | 0.1° | 0.1° |
| O43 | C35 | N34 | C33 | 0.5° | 0.1° |
| O43 | C35 | C36 | H25 | 0.0° | 120.0° |
| O43 | C35 | C36 | H26 | 120.0° | 0.0° |
| O43 | C35 | C36 | H27 | 120.0° | 120.0° |
| O43 | C35 | N34 | H40 | 179.5° | 180.0° |
| C35 | N34 | C33 | H40 | 180.0° | 179.9° |
| C35 | N34 | C33 | C32 | 141.5° | 180.0° |
| C35 | N34 | C33 | H1 | 98.0° | 60.0° |
| C35 | N34 | C33 | H2 | 21.0° | 60.1° |
| N34 | C35 | C36 | H25 | 179.3° | 60.0° |
| N34 | C35 | C36 | H26 | 59.4° | 180.0° |
| N34 | C35 | C36 | H27 | 60.7° | 60.0° |
| N34 | C33 | C32 | H1 | 120.5° | 120.0° |
| N34 | C33 | C32 | H2 | 120.5° | 120.0° |
| N34 | C33 | C32 | C31 | 67.9° | 89.9° |
| N34 | C33 | C32 | C44 | 113.9° | 90.0° |
| N34 | C33 | H1 | H2 | 118.5° | 120.0° |
| C33 | C32 | C31 | C44 | 178.2° | 180.0° |
| C33 | C32 | C31 | C30 | 179.6° | 180.0° |
| C33 | C32 | C44 | C45 | 179.8° | 180.0° |
| C32 | C33 | H1 | H2 | 118.5° | 120.0° |
| C33 | C32 | C31 | H11 | 0.4° | 0.1° |
| C33 | C32 | C44 | H28 | 0.2° | 0.1° |
| C32 | C33 | N34 | H40 | 38.6° | 0.1° |
| C32 | C31 | C30 | H11 | 180.0° | 180.0° |
| C31 | C32 | C44 | C45 | 1.7° | 0.0° |
| C32 | C31 | C30 | C29 | 178.6° | 179.9° |
| C32 | C31 | C30 | C46 | 0.7° | 0.3° |
| C31 | C32 | C33 | H1 | 52.6° | 150.0° |
| C31 | C32 | C33 | H2 | 171.6° | 30.0° |
| C31 | C32 | C44 | H28 | 178.4° | 180.0° |
| C44 | C32 | C31 | C30 | 1.4° | 0.0° |
| C32 | C44 | C45 | H28 | 180.0° | 180.0° |
| C32 | C44 | C45 | C46 | 1.2° | 0.3° |
| C44 | C32 | C33 | H1 | 125.6° | 30.0° |
| C44 | C32 | C33 | H2 | 6.5° | 150.0° |
| C44 | C32 | C31 | H11 | 178.6° | 180.0° |
| C32 | C44 | C45 | H29 | 178.8° | 179.9° |
| C31 | C30 | C29 | C46 | 179.3° | 179.8° |
| C31 | C30 | C46 | C45 | 0.2° | 0.5° |
| C31 | C30 | C29 | C28 | 140.2° | 89.8° |
| C31 | C30 | C29 | H9 | 99.5° | 30.2° |
| C31 | C30 | C29 | H10 | 19.9° | 150.3° |
| C31 | C30 | C46 | H30 | 179.7° | 179.7° |
| C44 | C45 | C46 | C30 | 0.5° | 0.5° |
| C44 | C45 | C46 | H29 | 180.0° | 179.8° |
| C44 | C45 | C46 | H30 | 179.5° | 179.7° |
| C29 | C30 | C46 | C45 | 179.1° | 179.7° |
| C30 | C29 | C28 | H9 | 120.2° | 120.0° |
| C30 | C29 | C28 | H10 | 120.3° | 120.0° |
| C30 | C29 | C28 | O47 | 85.2° | 0.0° |
| C30 | C29 | C28 | N27 | 94.0° | 180.0° |
| C30 | C29 | H9 | H10 | 119.2° | 120.1° |
| C29 | C30 | C31 | H11 | 1.4° | 0.0° |
| C29 | C30 | C46 | H30 | 0.9° | 0.1° |
| C30 | C46 | C45 | H30 | 180.0° | 179.8° |
| C46 | C30 | C29 | C28 | 40.5° | 90.1° |
| C46 | C30 | C29 | H9 | 79.8° | 150.0° |
| C46 | C30 | C29 | H10 | 160.7° | 29.9° |
| C46 | C30 | C31 | H11 | 179.3° | 179.8° |
| C30 | C46 | C45 | H29 | 179.5° | 179.7° |
| C46 | C45 | C44 | H28 | 178.8° | 179.8° |
| C29 | C28 | O47 | N27 | 179.1° | 180.0° |
| C29 | C28 | N27 | C04 | 177.8° | 180.0° |
| C28 | C29 | H9 | H10 | 119.2° | 120.0° |
| C29 | C28 | N27 | H39 | 2.2° | 0.0° |
| N24 | C23 | N22 | N25 | 177.3° | 179.9° |
| N24 | C23 | N22 | C21 | 179.6° | 0.0° |
| N24 | C23 | N22 | H35 | 0.4° | 180.0° |
| N24 | C23 | N25 | H37 | 177.1° | 180.0° |
| N24 | C23 | N25 | H38 | 2.9° | 0.1° |
| O47 | C28 | N27 | C04 | 1.5° | 0.0° |
| O47 | C28 | C29 | H9 | 154.6° | 120.0° |
| O47 | C28 | C29 | H10 | 35.1° | 120.0° |
| O47 | C28 | N27 | H39 | 178.6° | 180.0° |
| C28 | N27 | C04 | H39 | 180.0° | 180.0° |
| C28 | N27 | C04 | C05 | 65.0° | 155.0° |
| C28 | N27 | C04 | C03 | 176.5° | 85.0° |
| N27 | C28 | C29 | H9 | 26.3° | 60.0° |
| N27 | C28 | C29 | H10 | 145.8° | 60.0° |
| C28 | N27 | C04 | H18 | 55.9° | 35.0° |
| C23 | N22 | C21 | H35 | 180.0° | 180.0° |
| C23 | N22 | C21 | C20 | 175.5° | 180.0° |
| C23 | N22 | C21 | H5 | 56.1° | 60.0° |
| C23 | N22 | C21 | H6 | 65.1° | 60.0° |
| N22 | C23 | N24 | H36 | 177.2° | 180.0° |
| N22 | C23 | N25 | H37 | 0.0° | 0.1° |
| N22 | C23 | N25 | H38 | 180.0° | 180.0° |
| N25 | C23 | N22 | C21 | 2.3° | 180.0° |
| N25 | C23 | N22 | H35 | 177.7° | 0.0° |
| N25 | C23 | N24 | H36 | 0.0° | 0.1° |
| C23 | N25 | H37 | H38 | 180.0° | 179.9° |
| N22 | C21 | C20 | H5 | 119.4° | 120.0° |
| N22 | C21 | C20 | H6 | 119.4° | 120.0° |
| N22 | C21 | C20 | C19 | 174.6° | 180.0° |
| N22 | C21 | H5 | H6 | 121.7° | 120.0° |
| N22 | C21 | C20 | H7 | 65.4° | 59.9° |
| N22 | C21 | C20 | H8 | 54.5° | 60.0° |
| N27 | C04 | C05 | O26 | 35.8° | 0.1° |
| N27 | C04 | C05 | C03 | 119.4° | 120.0° |
| N27 | C04 | C05 | H18 | 121.7° | 120.0° |
| N27 | C04 | C03 | H18 | 121.4° | 120.0° |
| N27 | C04 | C05 | N06 | 145.6° | 180.0° |
| N27 | C04 | C03 | C02 | 63.7° | 65.0° |
| N27 | C04 | C03 | H16 | 56.9° | 175.0° |
| N27 | C04 | C03 | H17 | 175.8° | 55.0° |
| C21 | C20 | C19 | H7 | 120.0° | 120.1° |
| C21 | C20 | C19 | H8 | 120.0° | 119.9° |
| C21 | C20 | C19 | C07 | 172.6° | 180.0° |
| C20 | C21 | H5 | H6 | 121.7° | 120.1° |
| C21 | C20 | H7 | H8 | 119.9° | 120.0° |
| C21 | C20 | C19 | H23 | 67.4° | 60.0° |
| C21 | C20 | C19 | H24 | 52.6° | 60.1° |
| C20 | C21 | N22 | H35 | 4.5° | 0.0° |
| C20 | C19 | C07 | N06 | 70.8° | 65.0° |
| C20 | C19 | C07 | H23 | 120.0° | 120.0° |
| C20 | C19 | C07 | H24 | 120.0° | 120.0° |
| C20 | C19 | C07 | C08 | 169.7° | 175.0° |
| C19 | C20 | C21 | H5 | 55.1° | 60.1° |
| C19 | C20 | C21 | H6 | 66.0° | 60.0° |
| C19 | C20 | H7 | H8 | 119.9° | 120.0° |
| C20 | C19 | C07 | H19 | 49.2° | 55.0° |
| C20 | C19 | H23 | H24 | 120.0° | 120.0° |
| O26 | C05 | C04 | N06 | 178.6° | 180.0° |
| O26 | C05 | C04 | C03 | 83.6° | 120.0° |
| O26 | C05 | N06 | C07 | 2.2° | 0.0° |
| O26 | C05 | C04 | H18 | 157.4° | 119.9° |
| O26 | C05 | N06 | H34 | 177.9° | 180.0° |
| C05 | C04 | C03 | H18 | 118.8° | 120.0° |
| C05 | C04 | C03 | C02 | 176.5° | 175.0° |
| C04 | C05 | N06 | C07 | 179.1° | 180.0° |
| C05 | C04 | C03 | H16 | 62.9° | 55.0° |
| C05 | C04 | C03 | H17 | 56.0° | 65.0° |
| C04 | C05 | N06 | H34 | 0.8° | 0.0° |
| C05 | C04 | N27 | H39 | 115.0° | 25.0° |
| C03 | C04 | C05 | N06 | 95.0° | 60.0° |
| C04 | C03 | C02 | C48 | 58.2° | 175.0° |
| C04 | C03 | C02 | H16 | 120.5° | 120.0° |
| C04 | C03 | C02 | H17 | 120.5° | 120.0° |
| C04 | C03 | C02 | C01 | 179.1° | 65.0° |
| C04 | C03 | C02 | H15 | 62.5° | 55.0° |
| C04 | C03 | H16 | H17 | 118.3° | 119.9° |
| C03 | C04 | N27 | H39 | 3.5° | 95.0° |
| C05 | N06 | C07 | H34 | 180.0° | 180.0° |
| C05 | N06 | C07 | C19 | 126.7° | 155.0° |
| C05 | N06 | C07 | C08 | 114.0° | 85.0° |
| N06 | C05 | C04 | H18 | 23.9° | 60.0° |
| C05 | N06 | C07 | H19 | 7.4° | 35.0° |
| C48 | C02 | C03 | C01 | 120.9° | 120.0° |
| C48 | C02 | C03 | H15 | 120.7° | 120.0° |
| C48 | C02 | C01 | H15 | 120.5° | 120.1° |
| C48 | C02 | C01 | H12 | 180.0° | 60.0° |
| C48 | C02 | C01 | H13 | 60.0° | 180.0° |
| C48 | C02 | C01 | H14 | 60.0° | 60.1° |
| C48 | C02 | C03 | H16 | 178.8° | 65.0° |
| C48 | C02 | C03 | H17 | 62.3° | 55.1° |
| C02 | C48 | H31 | H32 | 120.0° | 120.0° |
| C02 | C48 | H31 | H33 | 120.0° | 120.0° |
| C02 | C48 | H32 | H33 | 120.0° | 120.0° |
| C03 | C02 | C01 | H15 | 118.3° | 120.0° |
| C03 | C02 | C01 | H12 | 58.8° | 60.0° |
| C03 | C02 | C01 | H13 | 61.2° | 60.1° |
| C03 | C02 | C01 | H14 | 178.8° | 180.0° |
| C02 | C03 | H16 | H17 | 118.3° | 120.1° |
| C02 | C03 | C04 | H18 | 57.7° | 55.0° |
| C03 | C02 | C48 | H31 | 180.0° | 60.0° |
| C03 | C02 | C48 | H32 | 60.0° | 180.0° |
| C03 | C02 | C48 | H33 | 60.0° | 60.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H14 | 120.0° | 120.0° |
| C02 | C01 | H13 | H14 | 120.0° | 119.9° |
| C01 | C02 | C03 | H16 | 60.3° | 55.0° |
| C01 | C02 | C03 | H17 | 58.6° | 175.0° |
| C01 | C02 | C48 | H31 | 61.0° | 60.0° |
| C01 | C02 | C48 | H32 | 59.0° | 60.0° |
| C01 | C02 | C48 | H33 | 179.0° | 180.0° |
| N06 | C07 | C19 | C08 | 119.5° | 120.0° |
| N06 | C07 | C19 | H19 | 120.0° | 120.0° |
| N06 | C07 | C08 | H19 | 121.8° | 120.0° |
| N06 | C07 | C08 | C10 | 65.6° | 55.0° |
| N06 | C07 | C08 | O09 | 178.0° | 175.0° |
| N06 | C07 | C19 | H23 | 169.3° | 175.0° |
| N06 | C07 | C19 | H24 | 49.2° | 55.0° |
| N06 | C07 | C08 | O1 | 55.0° | 65.0° |
| C19 | C07 | C08 | H19 | 120.2° | 120.0° |
| C19 | C07 | C08 | C10 | 176.5° | 65.0° |
| C19 | C07 | C08 | O09 | 60.1° | 55.0° |
| C07 | C19 | C20 | H7 | 52.6° | 60.0° |
| C07 | C19 | C20 | H8 | 67.4° | 60.0° |
| C07 | C19 | H23 | H24 | 120.0° | 120.0° |
| C19 | C07 | N06 | H34 | 53.3° | 24.9° |
| C19 | C07 | C08 | O1 | 63.0° | 175.0° |
| C07 | C08 | C10 | O09 | 119.8° | 120.0° |
| C07 | C08 | C10 | O1 | 121.1° | 120.0° |
| C07 | C08 | O09 | O1 | 120.8° | 120.0° |
| C07 | C08 | C10 | N11 | 71.6° | 59.7° |
| C07 | C08 | C10 | S18 | 111.1° | 120.0° |
| C08 | C07 | C19 | H23 | 49.7° | 55.0° |
| C08 | C07 | C19 | H24 | 70.3° | 65.0° |
| C08 | C07 | N06 | H34 | 66.0° | 95.0° |
| C07 | C08 | O09 | H41 | 180.0° | 60.0° |
| C07 | C08 | O1 | H20 | 180.0° | 60.0° |
| C10 | C08 | O09 | O1 | 115.8° | 120.0° |
| C08 | C10 | N11 | S18 | 177.6° | 179.7° |
| C08 | C10 | N11 | C12 | 178.0° | 179.7° |
| C08 | C10 | S18 | C13 | 177.7° | 180.0° |
| C10 | C08 | C07 | H19 | 56.2° | 175.0° |
| C10 | C08 | O09 | H41 | 56.7° | 60.0° |
| C10 | C08 | O1 | H20 | 54.9° | 60.0° |
| O09 | C08 | C10 | N11 | 168.6° | 60.3° |
| O09 | C08 | C10 | S18 | 8.8° | 120.0° |
| O09 | C08 | C07 | H19 | 60.2° | 65.0° |
| O09 | C08 | O1 | H20 | 58.5° | 180.0° |
| C10 | N11 | C12 | C17 | 179.6° | 179.7° |
| C10 | N11 | C12 | C13 | 0.4° | 0.4° |
| N11 | C10 | S18 | C13 | 0.2° | 0.3° |
| N11 | C10 | C08 | O1 | 49.5° | 179.7° |
| C12 | N11 | C10 | S18 | 0.4° | 0.0° |
| N11 | C12 | C17 | C13 | 180.0° | 179.3° |
| N11 | C12 | C17 | C16 | 179.6° | 179.3° |
| N11 | C12 | C13 | S18 | 0.3° | 0.6° |
| N11 | C12 | C13 | C14 | 180.0° | 179.5° |
| N11 | C12 | C17 | H4 | 0.4° | 0.7° |
| C10 | S18 | C13 | C12 | 0.1° | 0.5° |
| C10 | S18 | C13 | C14 | 179.7° | 179.5° |
| S18 | C10 | C08 | O1 | 127.8° | 0.0° |
| C12 | C17 | C16 | H4 | 180.0° | 180.0° |
| C17 | C12 | C13 | S18 | 179.7° | 180.0° |
| C17 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C17 | C16 | C15 | 0.1° | 0.1° |
| C12 | C17 | C16 | H3 | 179.9° | 180.0° |
| C13 | C12 | C17 | C16 | 0.3° | 0.0° |
| C12 | C13 | S18 | C14 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 0.6° | 0.0° |
| C13 | C12 | C17 | H4 | 179.7° | 180.0° |
| C12 | C13 | C14 | H21 | 179.4° | 179.9° |
| C17 | C16 | C15 | H3 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.6° | 0.1° |
| C17 | C16 | C15 | H22 | 179.4° | 180.0° |
| S18 | C13 | C14 | C15 | 179.8° | 179.9° |
| S18 | C13 | C14 | H21 | 0.3° | 0.1° |
| C13 | C14 | C15 | C16 | 0.9° | 0.1° |
| C13 | C14 | C15 | H21 | 180.0° | 179.9° |
| C13 | C14 | C15 | H22 | 179.1° | 180.0° |
| C16 | C15 | C14 | H22 | 180.0° | 179.9° |
| C15 | C16 | C17 | H4 | 179.9° | 179.9° |
| C16 | C15 | C14 | H21 | 179.1° | 180.0° |
| C14 | C15 | C16 | H3 | 179.5° | 179.9° |
| H1 | C33 | N34 | H40 | 81.9° | 119.9° |
| H2 | C33 | N34 | H40 | 159.0° | 120.0° |
| H3 | C16 | C17 | H4 | 0.1° | 0.0° |
| H3 | C16 | C15 | H22 | 0.5° | 0.0° |
| H5 | C21 | C20 | H7 | 175.1° | 60.0° |
| H5 | C21 | C20 | H8 | 64.9° | 180.0° |
| H5 | C21 | N22 | H35 | 123.9° | 120.0° |
| H6 | C21 | C20 | H7 | 54.0° | 179.9° |
| H6 | C21 | C20 | H8 | 173.9° | 60.0° |
| H6 | C21 | N22 | H35 | 115.0° | 120.0° |
| H7 | C20 | C19 | H23 | 172.6° | 180.0° |
| H7 | C20 | C19 | H24 | 67.4° | 60.0° |
| H8 | C20 | C19 | H23 | 52.6° | 60.0° |
| H8 | C20 | C19 | H24 | 172.6° | 180.0° |
| H12 | C01 | H13 | H14 | 120.0° | 120.0° |
| H12 | C01 | C02 | H15 | 59.5° | 180.0° |
| H13 | C01 | C02 | H15 | 179.5° | 59.9° |
| H14 | C01 | C02 | H15 | 60.5° | 60.0° |
| H15 | C02 | C03 | H16 | 58.0° | 175.0° |
| H15 | C02 | C03 | H17 | 176.9° | 64.9° |
| H15 | C02 | C48 | H31 | 59.4° | 180.0° |
| H15 | C02 | C48 | H32 | 179.4° | 60.1° |
| H15 | C02 | C48 | H33 | 60.6° | 60.0° |
| H16 | C03 | C04 | H18 | 178.2° | 65.0° |
| H17 | C03 | C04 | H18 | 62.9° | 175.0° |
| H18 | C04 | N27 | H39 | 124.1° | 145.0° |
| H19 | C07 | C19 | H23 | 70.7° | 65.0° |
| H19 | C07 | C19 | H24 | 169.2° | 175.0° |
| H19 | C07 | N06 | H34 | 172.6° | 145.0° |
| H19 | C07 | C08 | O1 | 176.8° | 55.1° |
| H21 | C14 | C15 | H22 | 0.9° | 0.1° |
| H25 | C36 | H26 | H27 | 119.9° | 120.0° |
| H28 | C44 | C45 | H29 | 1.2° | 0.0° |
| H29 | C45 | C46 | H30 | 0.5° | 0.1° |
| H31 | C48 | H32 | H33 | 120.0° | 120.0° |
| H41 | O09 | C08 | O1 | 59.1° | 180.0° |
