A1ILU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | CL9 | sing | 1.74Å | 1.74Å | |
| C2 | N10 | sing | 1.47Å | 1.50Å | |
| N10 | C11 | sing | 1.40Å | 1.43Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | O17 | sing | 1.36Å | 1.38Å | |
| O17 | C18 | sing | 1.43Å | 1.45Å | |
| C18 | C19 | sing | 1.55Å | 1.53Å | |
| C19 | C20 | sing | 1.55Å | 1.54Å | |
| C20 | C21 | sing | 1.54Å | 1.53Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C21 | N23 | sing | 1.47Å | 1.46Å | |
| N23 | C24 | sing | 1.35Å | 1.34Å | |
| C24 | O25 | doub | 1.22Å | 1.23Å | |
| C24 | N26 | sing | 1.35Å | 1.35Å | |
| N26 | C27 | sing | 1.47Å | 1.46Å | |
| C27 | C28 | sing | 1.54Å | 1.54Å | |
| C28 | C29 | sing | 1.54Å | 1.51Å | |
| C29 | N30 | sing | 1.49Å | 1.49Å | |
| N30 | C31 | sing | 1.49Å | 1.50Å | |
| N10 | C32 | sing | 1.35Å | 1.36Å | |
| C32 | O33 | doub | 1.21Å | 1.22Å | |
| C32 | C34 | sing | 1.51Å | 1.51Å | |
| C34 | C35 | sing | 1.53Å | 1.46Å | |
| C8 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C18 | sing | 1.54Å | 1.53Å | |
| C31 | C27 | sing | 1.54Å | 1.53Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| N23 | H23 | sing | 0.97Å | 1.00Å | |
| N26 | H26 | sing | 0.97Å | 1.00Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35C | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| N30 | H30B | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 114.1° | 109.5° |
| C1 | C2 | N10 | 109.9° | 109.5° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C1 | C2 | H2 | 107.3° | 109.5° |
| C2 | C3 | C4 | 121.1° | 120.0° |
| C3 | C2 | N10 | 110.1° | 109.5° |
| C2 | C3 | C8 | 120.7° | 120.0° |
| C3 | C2 | H2 | 107.5° | 109.4° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C4 | C3 | C8 | 118.2° | 120.0° |
| C3 | C4 | H4 | 119.4° | 120.0° |
| C4 | C5 | C6 | 119.1° | 120.0° |
| C5 | C4 | H4 | 119.4° | 120.0° |
| C4 | C5 | H5 | 120.5° | 120.0° |
| C5 | C6 | C7 | 121.2° | 120.0° |
| C5 | C6 | CL9 | 119.3° | 120.0° |
| C6 | C5 | H5 | 120.4° | 120.0° |
| C6 | C7 | C8 | 119.1° | 120.0° |
| C7 | C6 | CL9 | 119.5° | 120.0° |
| C6 | C7 | H7 | 120.4° | 120.0° |
| C7 | C8 | C3 | 121.1° | 120.0° |
| C8 | C7 | H7 | 120.4° | 120.1° |
| C7 | C8 | H8 | 119.5° | 120.0° |
| C2 | N10 | C11 | 118.7° | 120.0° |
| C2 | N10 | C32 | 118.3° | 120.0° |
| N10 | C2 | H2 | 107.7° | 109.4° |
| N10 | C11 | C12 | 120.4° | 120.0° |
| C11 | N10 | C32 | 122.8° | 120.0° |
| N10 | C11 | C16 | 120.3° | 120.0° |
| C11 | C12 | C13 | 120.5° | 120.0° |
| C12 | C11 | C16 | 119.3° | 120.0° |
| C11 | C12 | H12 | 119.7° | 120.0° |
| C12 | C13 | C14 | 119.8° | 120.0° |
| C13 | C12 | H12 | 119.8° | 120.0° |
| C12 | C13 | H13 | 120.1° | 120.0° |
| C13 | C14 | C15 | 120.2° | 120.0° |
| C13 | C14 | O17 | 125.7° | 120.0° |
| C14 | C13 | H13 | 120.1° | 120.0° |
| C14 | C15 | C16 | 119.7° | 120.0° |
| C15 | C14 | O17 | 114.1° | 120.0° |
| C14 | C15 | H15 | 120.1° | 120.0° |
| C15 | C16 | C11 | 120.4° | 120.0° |
| C16 | C15 | H15 | 120.1° | 120.0° |
| C15 | C16 | H16 | 119.8° | 120.0° |
| C14 | O17 | C18 | 119.1° | 117.0° |
| O17 | C18 | C19 | 106.4° | 110.5° |
| O17 | C18 | C22 | 104.9° | 110.5° |
| O17 | C18 | H18 | 113.9° | 110.4° |
| C18 | C19 | C20 | 101.7° | 102.7° |
| C19 | C18 | C22 | 105.7° | 104.2° |
| C18 | C19 | H19A | 111.4° | 110.8° |
| C18 | C19 | H19B | 111.4° | 110.9° |
| C19 | C18 | H18 | 112.6° | 110.6° |
| C19 | C20 | C21 | 101.9° | 104.2° |
| C20 | C19 | H19A | 111.4° | 110.8° |
| C20 | C19 | H19B | 111.4° | 110.7° |
| C19 | C20 | H20B | 111.3° | 110.5° |
| C19 | C20 | H20A | 111.3° | 110.4° |
| C20 | C21 | C22 | 103.5° | 106.6° |
| C20 | C21 | N23 | 111.1° | 110.0° |
| C21 | C20 | H20B | 111.3° | 110.5° |
| C21 | C20 | H20A | 111.3° | 110.5° |
| C20 | C21 | H21 | 110.3° | 110.1° |
| C22 | C21 | N23 | 110.0° | 110.0° |
| C21 | C22 | C18 | 106.3° | 106.6° |
| C22 | C21 | H21 | 110.3° | 110.0° |
| C21 | C22 | H22A | 110.2° | 110.0° |
| C21 | C22 | H22B | 110.3° | 110.0° |
| C21 | N23 | C24 | 122.6° | 120.0° |
| N23 | C21 | H21 | 111.3° | 110.1° |
| C21 | N23 | H23 | 118.7° | 120.0° |
| N23 | C24 | O25 | 122.5° | 120.0° |
| N23 | C24 | N26 | 114.4° | 120.0° |
| C24 | N23 | H23 | 118.7° | 120.0° |
| O25 | C24 | N26 | 123.1° | 120.0° |
| C24 | N26 | C27 | 122.8° | 120.0° |
| C24 | N26 | H26 | 118.6° | 120.0° |
| N26 | C27 | C28 | 111.5° | 110.4° |
| N26 | C27 | C31 | 111.0° | 110.3° |
| C27 | N26 | H26 | 118.6° | 120.0° |
| N26 | C27 | H27 | 109.5° | 110.3° |
| C27 | C28 | C29 | 104.6° | 105.1° |
| C28 | C27 | C31 | 107.7° | 105.0° |
| C28 | C27 | H27 | 108.5° | 110.3° |
| C27 | C28 | H28A | 110.7° | 110.3° |
| C27 | C28 | H28B | 110.7° | 110.3° |
| C28 | C29 | N30 | 103.8° | 104.6° |
| C29 | C28 | H28A | 110.7° | 110.3° |
| C29 | C28 | H28B | 110.6° | 110.3° |
| C28 | C29 | H29B | 110.9° | 110.4° |
| C28 | C29 | H29A | 110.8° | 110.4° |
| C29 | N30 | C31 | 108.2° | 104.2° |
| N30 | C29 | H29B | 110.9° | 110.5° |
| N30 | C29 | H29A | 110.9° | 110.4° |
| C29 | N30 | H30B | 109.8° | 111.0° |
| N30 | C31 | C27 | 104.0° | 104.6° |
| N30 | C31 | H31A | 110.8° | 110.4° |
| N30 | C31 | H31B | 110.8° | 110.5° |
| C31 | N30 | H30B | 109.8° | 111.0° |
| N10 | C32 | O33 | 121.5° | 120.0° |
| N10 | C32 | C34 | 118.2° | 120.0° |
| O33 | C32 | C34 | 120.2° | 120.0° |
| C32 | C34 | C35 | 111.8° | 109.5° |
| C32 | C34 | H34A | 108.9° | 109.5° |
| C32 | C34 | H34B | 108.9° | 109.5° |
| C35 | C34 | H34A | 108.9° | 109.5° |
| C35 | C34 | H34B | 108.9° | 109.5° |
| C34 | C35 | H35B | 109.5° | 109.5° |
| C34 | C35 | H35A | 109.4° | 109.5° |
| C34 | C35 | H35C | 109.4° | 109.5° |
| C3 | C8 | H8 | 119.4° | 120.0° |
| C11 | C16 | H16 | 119.8° | 120.0° |
| C18 | C22 | H22A | 110.3° | 110.0° |
| C18 | C22 | H22B | 110.3° | 110.0° |
| C22 | C18 | H18 | 112.6° | 110.5° |
| C31 | C27 | H27 | 108.5° | 110.4° |
| C27 | C31 | H31A | 110.8° | 110.4° |
| C27 | C31 | H31B | 110.8° | 110.4° |
| H1C | C1 | H1B | 109.5° | 109.4° |
| H1C | C1 | H1A | 109.4° | 109.5° |
| H1B | C1 | H1A | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 110.7° |
| H20B | C20 | H20A | 109.4° | 110.5° |
| H22A | C22 | H22B | 109.5° | 110.0° |
| H31A | C31 | H31B | 109.5° | 110.3° |
| H34A | C34 | H34B | 109.5° | 109.4° |
| H35B | C35 | H35A | 109.5° | 109.5° |
| H35B | C35 | H35C | 109.5° | 109.4° |
| H35A | C35 | H35C | 109.5° | 109.5° |
| H28A | C28 | H28B | 109.5° | 110.3° |
| H29B | C29 | H29A | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | N10 | 124.1° | 120.0° |
| C1 | C2 | C3 | H2 | 118.9° | 120.0° |
| C1 | C2 | C3 | C4 | 20.3° | 97.4° |
| C1 | C2 | N10 | H2 | 116.6° | 120.0° |
| C1 | C2 | N10 | C11 | 71.1° | 176.6° |
| C1 | C2 | N10 | C32 | 113.0° | 3.4° |
| C1 | C2 | C3 | C8 | 160.3° | 83.0° |
| C2 | C1 | H1C | H1B | 120.0° | 120.0° |
| C2 | C1 | H1C | H1A | 120.0° | 120.0° |
| C2 | C1 | H1B | H1A | 120.0° | 120.0° |
| C2 | C3 | C4 | C8 | 179.3° | 179.7° |
| C2 | C3 | C4 | C5 | 179.3° | 180.0° |
| C2 | C3 | C8 | C7 | 179.4° | 180.0° |
| C3 | C2 | N10 | H2 | 116.9° | 119.9° |
| C3 | C2 | N10 | C11 | 55.4° | 63.4° |
| C3 | C2 | N10 | C32 | 120.5° | 116.7° |
| C3 | C2 | C1 | H1C | 180.0° | 60.2° |
| C3 | C2 | C1 | H1B | 60.0° | 59.7° |
| C3 | C2 | C1 | H1A | 60.0° | 179.8° |
| C2 | C3 | C8 | H8 | 0.6° | 0.1° |
| C2 | C3 | C4 | H4 | 0.7° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C4 | C3 | C8 | C7 | 0.1° | 0.4° |
| C4 | C3 | C2 | N10 | 103.8° | 142.6° |
| C4 | C3 | C2 | H2 | 139.2° | 22.7° |
| C4 | C3 | C8 | H8 | 179.9° | 179.8° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.2° | 0.3° |
| C4 | C5 | C6 | CL9 | 179.9° | 180.0° |
| C5 | C4 | C3 | C8 | 0.0° | 0.3° |
| C5 | C6 | C7 | CL9 | 179.7° | 179.8° |
| C5 | C6 | C7 | C8 | 0.1° | 0.2° |
| C5 | C6 | C7 | H7 | 179.9° | 179.7° |
| C6 | C5 | C4 | H4 | 179.8° | 179.9° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C3 | 0.1° | 0.1° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 179.8° | 179.8° |
| C8 | C7 | C6 | CL9 | 179.8° | 179.9° |
| C7 | C8 | C3 | H8 | 180.0° | 179.9° |
| CL9 | C6 | C7 | H7 | 0.2° | 0.0° |
| CL9 | C6 | C5 | H5 | 0.1° | 0.0° |
| C2 | N10 | C11 | C32 | 175.7° | 180.0° |
| C2 | N10 | C11 | C12 | 103.3° | 139.3° |
| C2 | N10 | C32 | O33 | 7.4° | 4.8° |
| C2 | N10 | C32 | C34 | 176.1° | 175.2° |
| N10 | C2 | C3 | C8 | 75.6° | 37.1° |
| C2 | N10 | C11 | C16 | 75.0° | 41.0° |
| N10 | C2 | C1 | H1C | 55.8° | 59.8° |
| N10 | C2 | C1 | H1B | 64.2° | 179.8° |
| N10 | C2 | C1 | H1A | 175.8° | 60.2° |
| N10 | C11 | C12 | C16 | 178.4° | 179.7° |
| N10 | C11 | C12 | C13 | 179.1° | 179.8° |
| N10 | C11 | C16 | C15 | 178.9° | 179.8° |
| C11 | N10 | C32 | O33 | 168.4° | 175.2° |
| C11 | N10 | C32 | C34 | 8.2° | 4.8° |
| C11 | N10 | C2 | H2 | 172.3° | 56.6° |
| N10 | C11 | C12 | H12 | 0.9° | 0.3° |
| N10 | C11 | C16 | H16 | 1.1° | 0.3° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.4° | 0.0° |
| C12 | C11 | C16 | C15 | 0.5° | 0.1° |
| C12 | C11 | N10 | C32 | 81.0° | 40.7° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| C12 | C11 | C16 | H16 | 179.5° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | O17 | 179.6° | 180.0° |
| C13 | C12 | C11 | C16 | 0.7° | 0.1° |
| C13 | C14 | C15 | O17 | 179.4° | 180.0° |
| C13 | C14 | C15 | C16 | 0.5° | 0.0° |
| C13 | C14 | O17 | C18 | 8.2° | 5.4° |
| C14 | C13 | C12 | H12 | 179.7° | 180.0° |
| C13 | C14 | C15 | H15 | 179.5° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C15 | C14 | O17 | C18 | 171.1° | 174.6° |
| C14 | C15 | C16 | C11 | 0.1° | 0.1° |
| C15 | C14 | C13 | H13 | 179.7° | 180.0° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C16 | C15 | C14 | O17 | 179.9° | 180.0° |
| C15 | C16 | C11 | H16 | 180.0° | 179.9° |
| C14 | O17 | C18 | C19 | 161.6° | 89.1° |
| C14 | O17 | C18 | C22 | 86.6° | 156.1° |
| O17 | C14 | C13 | H13 | 0.4° | 0.0° |
| O17 | C14 | C15 | H15 | 0.2° | 0.0° |
| C14 | O17 | C18 | H18 | 36.9° | 33.5° |
| O17 | C18 | C19 | C22 | 111.2° | 118.7° |
| O17 | C18 | C19 | H18 | 125.5° | 122.6° |
| O17 | C18 | C19 | C20 | 79.6° | 156.6° |
| O17 | C18 | C22 | C21 | 105.8° | 142.3° |
| O17 | C18 | C22 | H18 | 124.4° | 122.5° |
| O17 | C18 | C19 | H19A | 39.2° | 85.1° |
| O17 | C18 | C19 | H19B | 161.7° | 38.3° |
| O17 | C18 | C22 | H22A | 13.6° | 23.0° |
| O17 | C18 | C22 | H22B | 134.7° | 98.4° |
| C18 | C19 | C20 | H19A | 118.8° | 118.3° |
| C18 | C19 | C20 | H19B | 118.7° | 118.5° |
| C18 | C19 | C20 | C21 | 45.1° | 37.9° |
| C19 | C18 | C22 | C21 | 6.4° | 23.6° |
| C19 | C18 | C22 | H18 | 123.4° | 118.8° |
| C18 | C19 | H19A | H19B | 123.6° | 123.5° |
| C18 | C19 | C20 | H20B | 73.7° | 156.6° |
| C18 | C19 | C20 | H20A | 163.8° | 80.8° |
| C19 | C18 | C22 | H22A | 125.9° | 95.7° |
| C19 | C18 | C22 | H22B | 113.1° | 142.9° |
| C19 | C20 | C21 | H20B | 118.8° | 118.7° |
| C19 | C20 | C21 | H20A | 118.8° | 118.7° |
| C19 | C20 | C21 | C22 | 41.4° | 23.6° |
| C19 | C20 | C21 | N23 | 76.7° | 142.9° |
| C20 | C19 | C18 | C22 | 31.6° | 37.9° |
| C20 | C19 | H19A | H19B | 123.6° | 123.2° |
| C19 | C20 | H20B | H20A | 123.5° | 122.5° |
| C19 | C20 | C21 | H21 | 159.4° | 95.7° |
| C20 | C19 | C18 | H18 | 154.9° | 80.8° |
| C20 | C21 | C22 | N23 | 118.7° | 119.3° |
| C20 | C21 | C22 | H21 | 118.0° | 119.3° |
| C20 | C21 | N23 | H21 | 123.4° | 121.4° |
| C20 | C21 | N23 | C24 | 89.6° | 86.5° |
| C20 | C21 | C22 | C18 | 21.7° | 0.0° |
| C21 | C20 | C19 | H19A | 163.8° | 156.3° |
| C21 | C20 | C19 | H19B | 73.7° | 80.6° |
| C21 | C20 | H20B | H20A | 123.5° | 122.7° |
| C20 | C21 | C22 | H22A | 97.8° | 119.3° |
| C20 | C21 | C22 | H22B | 141.2° | 119.3° |
| C20 | C21 | N23 | H23 | 90.4° | 93.5° |
| C22 | C21 | N23 | H21 | 122.6° | 121.4° |
| C22 | C21 | N23 | C24 | 156.4° | 156.4° |
| C21 | C22 | C18 | H22A | 119.5° | 119.3° |
| C21 | C22 | C18 | H22B | 119.5° | 119.3° |
| C22 | C21 | C20 | H20B | 77.4° | 142.3° |
| C22 | C21 | C20 | H20A | 160.1° | 95.0° |
| C21 | C22 | H22A | H22B | 121.5° | 121.4° |
| C22 | C21 | N23 | H23 | 23.6° | 23.6° |
| C21 | C22 | C18 | H18 | 129.7° | 95.2° |
| C21 | N23 | C24 | H23 | 180.0° | 180.0° |
| C21 | N23 | C24 | O25 | 2.0° | 0.0° |
| C21 | N23 | C24 | N26 | 179.2° | 180.0° |
| N23 | C21 | C22 | C18 | 97.0° | 119.3° |
| N23 | C21 | C20 | H20B | 164.6° | 98.4° |
| N23 | C21 | C20 | H20A | 42.1° | 24.2° |
| N23 | C21 | C22 | H22A | 143.5° | 121.4° |
| N23 | C21 | C22 | H22B | 22.5° | 0.0° |
| N23 | C24 | O25 | N26 | 178.7° | 180.0° |
| N23 | C24 | N26 | C27 | 175.3° | 180.0° |
| C24 | N23 | C21 | H21 | 33.8° | 35.0° |
| N23 | C24 | N26 | H26 | 4.7° | 0.0° |
| O25 | C24 | N26 | C27 | 5.9° | 0.0° |
| O25 | C24 | N23 | H23 | 178.0° | 180.0° |
| O25 | C24 | N26 | H26 | 174.1° | 180.0° |
| C24 | N26 | C27 | H26 | 180.0° | 180.0° |
| C24 | N26 | C27 | C28 | 117.0° | 155.0° |
| C24 | N26 | C27 | C31 | 122.9° | 89.4° |
| N26 | C24 | N23 | H23 | 0.8° | 0.1° |
| C24 | N26 | C27 | H27 | 3.0° | 32.8° |
| N26 | C27 | C28 | C31 | 122.1° | 118.9° |
| N26 | C27 | C28 | H27 | 120.6° | 122.1° |
| N26 | C27 | C28 | C29 | 138.2° | 118.9° |
| N26 | C27 | C31 | N30 | 117.7° | 142.8° |
| N26 | C27 | C31 | H27 | 120.4° | 122.2° |
| N26 | C27 | C31 | H31A | 123.2° | 23.9° |
| N26 | C27 | C31 | H31B | 1.4° | 98.3° |
| N26 | C27 | C28 | H28A | 102.6° | 122.2° |
| N26 | C27 | C28 | H28B | 19.0° | 0.0° |
| C27 | C28 | C29 | H28A | 119.2° | 118.9° |
| C27 | C28 | C29 | H28B | 119.3° | 118.9° |
| C27 | C28 | C29 | N30 | 30.5° | 23.9° |
| C28 | C27 | C31 | N30 | 4.6° | 23.8° |
| C28 | C27 | C31 | H27 | 117.3° | 118.9° |
| C28 | C27 | N26 | H26 | 63.0° | 25.0° |
| C28 | C27 | C31 | H31A | 114.5° | 95.0° |
| C28 | C27 | C31 | H31B | 123.7° | 142.8° |
| C27 | C28 | H28A | H28B | 122.3° | 122.1° |
| C27 | C28 | C29 | H29B | 88.6° | 142.7° |
| C27 | C28 | C29 | H29A | 149.6° | 95.0° |
| C28 | C29 | N30 | H29B | 119.1° | 118.8° |
| C28 | C29 | N30 | H29A | 119.1° | 118.8° |
| C28 | C29 | N30 | C31 | 35.0° | 39.5° |
| C29 | C28 | C27 | C31 | 16.1° | 0.0° |
| C29 | C28 | C27 | H27 | 101.2° | 119.0° |
| C29 | C28 | H28A | H28B | 122.2° | 122.2° |
| C28 | C29 | H29B | H29A | 122.6° | 122.3° |
| C28 | C29 | N30 | H30B | 154.8° | 80.1° |
| C29 | N30 | C31 | H30B | 119.8° | 119.5° |
| C29 | N30 | C31 | C27 | 24.5° | 39.5° |
| C29 | N30 | C31 | H31A | 94.7° | 79.4° |
| C29 | N30 | C31 | H31B | 143.6° | 158.3° |
| N30 | C29 | C28 | H28A | 149.7° | 95.1° |
| N30 | C29 | C28 | H28B | 88.7° | 142.7° |
| N30 | C29 | H29B | H29A | 122.6° | 122.5° |
| N30 | C31 | C27 | H31A | 119.1° | 118.8° |
| N30 | C31 | C27 | H31B | 119.1° | 118.9° |
| N30 | C31 | C27 | H27 | 121.9° | 95.1° |
| N30 | C31 | H31A | H31B | 122.6° | 122.5° |
| C31 | N30 | C29 | H29B | 84.1° | 158.3° |
| C31 | N30 | C29 | H29A | 154.1° | 79.3° |
| N10 | C32 | O33 | C34 | 176.5° | 180.0° |
| N10 | C32 | C34 | C35 | 131.5° | 137.4° |
| C32 | N10 | C11 | C16 | 100.7° | 139.0° |
| C32 | N10 | C2 | H2 | 3.6° | 123.4° |
| N10 | C32 | C34 | H34A | 11.2° | 17.4° |
| N10 | C32 | C34 | H34B | 108.2° | 102.6° |
| O33 | C32 | C34 | C35 | 45.1° | 42.6° |
| O33 | C32 | C34 | H34A | 165.4° | 162.6° |
| O33 | C32 | C34 | H34B | 75.2° | 77.4° |
| C32 | C34 | C35 | H34A | 120.4° | 120.0° |
| C32 | C34 | C35 | H34B | 120.3° | 120.0° |
| C32 | C34 | H34A | H34B | 119.0° | 120.0° |
| C32 | C34 | C35 | H35B | 180.0° | 180.0° |
| C32 | C34 | C35 | H35A | 60.0° | 60.0° |
| C32 | C34 | C35 | H35C | 60.0° | 60.0° |
| C35 | C34 | H34A | H34B | 118.9° | 120.0° |
| C34 | C35 | H35B | H35A | 120.0° | 120.0° |
| C34 | C35 | H35B | H35C | 120.0° | 120.0° |
| C34 | C35 | H35A | H35C | 120.0° | 120.0° |
| C8 | C3 | C2 | H2 | 41.5° | 157.0° |
| C3 | C8 | C7 | H7 | 179.9° | 180.0° |
| C8 | C3 | C4 | H4 | 180.0° | 179.7° |
| C16 | C11 | C12 | H12 | 179.3° | 180.0° |
| C11 | C16 | C15 | H15 | 179.9° | 180.0° |
| C22 | C18 | C19 | H19A | 150.4° | 156.2° |
| C22 | C18 | C19 | H19B | 87.1° | 80.4° |
| C18 | C22 | C21 | H21 | 139.7° | 119.3° |
| C18 | C22 | H22A | H22B | 121.5° | 121.4° |
| C31 | C27 | N26 | H26 | 57.1° | 90.6° |
| C27 | C31 | H31A | H31B | 122.5° | 122.3° |
| C31 | C27 | C28 | H28A | 135.3° | 118.9° |
| C31 | C27 | C28 | H28B | 103.1° | 118.9° |
| C27 | C31 | N30 | H30B | 144.3° | 80.0° |
| H1C | C1 | H1B | H1A | 119.9° | 120.0° |
| H1C | C1 | C2 | H2 | 61.0° | 179.8° |
| H1B | C1 | C2 | H2 | 178.9° | 60.3° |
| H1A | C1 | C2 | H2 | 58.9° | 59.8° |
| H7 | C7 | C8 | H8 | 0.1° | 0.1° |
| H12 | C12 | C13 | H13 | 0.3° | 0.1° |
| H15 | C15 | C16 | H16 | 0.1° | 0.0° |
| H19A | C19 | C20 | H20B | 45.0° | 85.1° |
| H19A | C19 | C20 | H20A | 77.4° | 37.5° |
| H19A | C19 | C18 | H18 | 86.3° | 37.5° |
| H19B | C19 | C20 | H20B | 167.5° | 38.1° |
| H19B | C19 | C20 | H20A | 45.1° | 160.7° |
| H19B | C19 | C18 | H18 | 36.2° | 160.8° |
| H20B | C20 | C21 | H21 | 40.6° | 23.0° |
| H20A | C20 | C21 | H21 | 81.9° | 145.7° |
| H21 | C21 | C22 | H22A | 20.2° | 0.0° |
| H21 | C21 | C22 | H22B | 100.8° | 121.4° |
| H21 | C21 | N23 | H23 | 146.2° | 145.0° |
| H22A | C22 | C18 | H18 | 110.8° | 145.5° |
| H22B | C22 | C18 | H18 | 10.2° | 24.1° |
| H26 | N26 | C27 | H27 | 177.0° | 147.2° |
| H27 | C27 | C31 | H31A | 2.8° | 146.1° |
| H27 | C27 | C31 | H31B | 119.0° | 23.8° |
| H27 | C27 | C28 | H28A | 18.0° | 0.0° |
| H27 | C27 | C28 | H28B | 139.6° | 122.1° |
| H31A | C31 | N30 | H30B | 25.1° | 161.1° |
| H31B | C31 | N30 | H30B | 96.6° | 38.8° |
| H34A | C34 | C35 | H35B | 59.6° | 60.0° |
| H34A | C34 | C35 | H35A | 179.7° | 180.0° |
| H34A | C34 | C35 | H35C | 60.3° | 60.0° |
| H34B | C34 | C35 | H35B | 59.7° | 60.0° |
| H34B | C34 | C35 | H35A | 60.4° | 60.0° |
| H34B | C34 | C35 | H35C | 179.6° | 179.9° |
| H35B | C35 | H35A | H35C | 120.0° | 120.0° |
| H4 | C4 | C5 | H5 | 0.2° | 0.0° |
| H28A | C28 | C29 | H29B | 30.6° | 23.8° |
| H28A | C28 | C29 | H29A | 91.2° | 146.1° |
| H28B | C28 | C29 | H29B | 152.2° | 98.4° |
| H28B | C28 | C29 | H29A | 30.4° | 23.9° |
| H29B | C29 | N30 | H30B | 35.7° | 38.7° |
| H29A | C29 | N30 | H30B | 86.1° | 161.1° |
