LRX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.43Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.43Å | Aromatic |
| O33 | C32 | doub | 1.21Å | 1.25Å | |
| C7 | C8 | doub | 1.39Å | 1.43Å | Aromatic |
| F3 | C1 | sing | 1.40Å | 1.37Å | |
| C36 | C35 | sing | 1.53Å | 1.54Å | |
| C4 | C1 | sing | 1.51Å | 1.51Å | |
| C4 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C35 | O34 | sing | 1.45Å | 1.46Å | |
| C32 | O34 | sing | 1.35Å | 1.47Å | |
| C32 | N31 | sing | 1.35Å | 1.48Å | |
| C1 | F2 | sing | 1.40Å | 1.35Å | |
| C1 | F1 | sing | 1.40Å | 1.34Å | |
| C8 | C9 | sing | 1.39Å | 1.42Å | Aromatic |
| C8 | N10 | sing | 1.40Å | 1.44Å | |
| C30 | N31 | sing | 1.47Å | 1.54Å | |
| C30 | C29 | sing | 1.53Å | 1.58Å | |
| N31 | C28 | sing | 1.47Å | 1.41Å | |
| C29 | C26 | sing | 1.53Å | 1.53Å | |
| N10 | C11 | sing | 1.47Å | 1.47Å | |
| N10 | C13 | sing | 1.47Å | 1.50Å | |
| C11 | C12 | sing | 1.53Å | 1.59Å | |
| C28 | C27 | sing | 1.53Å | 1.47Å | |
| C26 | N25 | sing | 1.46Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.60Å | |
| N25 | C20 | sing | 1.37Å | 1.42Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| N18 | C17 | sing | 1.46Å | 1.54Å | |
| N18 | C19 | sing | 1.37Å | 1.40Å | |
| C17 | C16 | sing | 1.53Å | 1.60Å | |
| C12 | N15 | sing | 1.47Å | 1.56Å | |
| C14 | N15 | sing | 1.47Å | 1.45Å | |
| C20 | C19 | doub | 1.40Å | 1.50Å | |
| C20 | C21 | sing | 1.47Å | 1.43Å | |
| C19 | C22 | sing | 1.47Å | 1.57Å | |
| N15 | C16 | sing | 1.47Å | 1.52Å | |
| C21 | C22 | sing | 1.48Å | 1.47Å | |
| C21 | O24 | doub | 1.22Å | 1.34Å | |
| C22 | O23 | doub | 1.22Å | 1.23Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| N18 | H18 | sing | 0.97Å | 1.00Å | |
| N25 | H22 | sing | 0.97Å | 1.00Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C7 | 120.9° | 120.1° |
| C6 | C5 | C4 | 118.5° | 120.2° |
| C6 | C5 | H1 | 120.7° | 119.9° |
| C5 | C6 | H2 | 119.6° | 120.0° |
| C6 | C7 | C8 | 120.2° | 119.9° |
| C7 | C6 | H2 | 119.5° | 119.9° |
| C6 | C7 | H3 | 119.9° | 120.1° |
| C5 | C4 | C1 | 122.1° | 120.0° |
| C5 | C4 | C9 | 121.0° | 120.0° |
| C4 | C5 | H1 | 120.8° | 119.9° |
| O33 | C32 | O34 | 119.9° | 120.0° |
| O33 | C32 | N31 | 122.1° | 120.0° |
| C7 | C8 | C9 | 118.4° | 119.8° |
| C7 | C8 | N10 | 119.0° | 120.1° |
| C8 | C7 | H3 | 119.9° | 120.0° |
| F3 | C1 | C4 | 111.3° | 109.5° |
| F3 | C1 | F2 | 105.5° | 109.5° |
| F3 | C1 | F1 | 106.3° | 109.5° |
| C36 | C35 | O34 | 112.1° | 109.5° |
| C36 | C35 | H32 | 108.8° | 109.5° |
| C36 | C35 | H33 | 108.8° | 109.5° |
| C35 | C36 | H34 | 109.5° | 109.4° |
| C35 | C36 | H35 | 109.5° | 109.5° |
| C35 | C36 | H36 | 109.5° | 109.5° |
| C1 | C4 | C9 | 116.9° | 120.0° |
| C4 | C1 | F2 | 117.7° | 109.5° |
| C4 | C1 | F1 | 115.3° | 109.4° |
| C4 | C9 | C8 | 121.0° | 120.0° |
| C4 | C9 | H4 | 119.5° | 120.0° |
| C35 | O34 | C32 | 123.7° | 117.0° |
| O34 | C35 | H32 | 108.8° | 109.5° |
| O34 | C35 | H33 | 108.8° | 109.5° |
| O34 | C32 | N31 | 117.9° | 120.0° |
| C32 | N31 | C30 | 126.1° | 120.6° |
| C32 | N31 | C28 | 120.8° | 120.6° |
| F2 | C1 | F1 | 99.4° | 109.5° |
| C9 | C8 | N10 | 122.6° | 120.1° |
| C8 | C9 | H4 | 119.5° | 120.1° |
| C8 | N10 | C11 | 128.1° | 111.0° |
| C8 | N10 | C13 | 119.4° | 111.0° |
| N31 | C30 | C29 | 111.8° | 108.7° |
| C30 | N31 | C28 | 113.1° | 118.8° |
| N31 | C30 | H30 | 108.9° | 109.7° |
| N31 | C30 | H31 | 108.9° | 109.6° |
| C30 | C29 | C26 | 115.3° | 109.3° |
| C30 | C29 | H28 | 108.0° | 109.5° |
| C30 | C29 | H29 | 108.0° | 109.5° |
| C29 | C30 | H30 | 108.9° | 109.6° |
| C29 | C30 | H31 | 108.9° | 109.6° |
| N31 | C28 | C27 | 119.2° | 108.7° |
| N31 | C28 | H26 | 107.0° | 109.6° |
| N31 | C28 | H27 | 107.0° | 109.7° |
| C29 | C26 | N25 | 118.3° | 109.5° |
| C29 | C26 | C27 | 108.1° | 109.5° |
| C29 | C26 | H23 | 106.2° | 109.4° |
| C26 | C29 | H28 | 108.0° | 109.5° |
| C26 | C29 | H29 | 108.0° | 109.5° |
| C11 | N10 | C13 | 112.4° | 110.9° |
| N10 | C11 | C12 | 108.7° | 109.4° |
| N10 | C11 | H5 | 109.6° | 109.5° |
| N10 | C11 | H6 | 109.7° | 109.5° |
| N10 | C13 | C14 | 114.5° | 109.3° |
| N10 | C13 | H9 | 108.2° | 109.5° |
| N10 | C13 | H10 | 108.2° | 109.4° |
| C11 | C12 | N15 | 115.1° | 109.4° |
| C12 | C11 | H5 | 109.6° | 109.5° |
| C12 | C11 | H6 | 109.7° | 109.5° |
| C11 | C12 | H7 | 108.1° | 109.5° |
| C11 | C12 | H8 | 108.1° | 109.5° |
| C28 | C27 | C26 | 117.4° | 109.4° |
| C28 | C27 | H24 | 107.5° | 109.5° |
| C28 | C27 | H25 | 107.5° | 109.6° |
| C27 | C28 | H26 | 107.0° | 109.6° |
| C27 | C28 | H27 | 107.0° | 109.6° |
| N25 | C26 | C27 | 111.7° | 109.5° |
| C26 | N25 | C20 | 124.5° | 120.0° |
| C26 | N25 | H22 | 105.6° | 120.0° |
| N25 | C26 | H23 | 106.1° | 109.5° |
| C27 | C26 | H23 | 105.5° | 109.4° |
| C26 | C27 | H24 | 107.4° | 109.5° |
| C26 | C27 | H25 | 107.4° | 109.5° |
| N25 | C20 | C19 | 133.5° | 133.4° |
| N25 | C20 | C21 | 133.9° | 133.4° |
| C20 | N25 | H22 | 105.6° | 120.0° |
| C13 | C14 | N15 | 110.7° | 109.4° |
| C14 | C13 | H9 | 108.2° | 109.5° |
| C14 | C13 | H10 | 108.2° | 109.5° |
| C13 | C14 | H11 | 109.2° | 109.4° |
| C13 | C14 | H12 | 109.2° | 109.5° |
| C17 | N18 | C19 | 129.4° | 120.0° |
| N18 | C17 | C16 | 114.2° | 109.5° |
| N18 | C17 | H16 | 108.3° | 109.5° |
| N18 | C17 | H17 | 108.3° | 109.5° |
| C17 | N18 | H18 | 104.3° | 120.0° |
| N18 | C19 | C20 | 138.9° | 135.0° |
| N18 | C19 | C22 | 134.3° | 135.0° |
| C19 | N18 | H18 | 104.3° | 120.0° |
| C17 | C16 | N15 | 110.2° | 109.5° |
| C17 | C16 | H14 | 109.3° | 109.4° |
| C17 | C16 | H15 | 109.3° | 109.5° |
| C16 | C17 | H16 | 108.3° | 109.4° |
| C16 | C17 | H17 | 108.3° | 109.4° |
| C12 | N15 | C14 | 109.6° | 110.9° |
| C12 | N15 | C16 | 111.3° | 111.0° |
| N15 | C12 | H7 | 108.0° | 109.5° |
| N15 | C12 | H8 | 108.0° | 109.5° |
| C14 | N15 | C16 | 111.4° | 111.0° |
| N15 | C14 | H11 | 109.2° | 109.6° |
| N15 | C14 | H12 | 109.1° | 109.5° |
| C19 | C20 | C21 | 91.9° | 93.2° |
| C20 | C19 | C22 | 86.8° | 90.0° |
| C20 | C21 | C22 | 93.7° | 86.9° |
| C20 | C21 | O24 | 128.6° | 136.6° |
| C19 | C22 | C21 | 87.6° | 89.9° |
| C19 | C22 | O23 | 132.3° | 135.1° |
| N15 | C16 | H14 | 109.3° | 109.4° |
| N15 | C16 | H15 | 109.3° | 109.5° |
| C22 | C21 | O24 | 137.7° | 136.5° |
| C21 | C22 | O23 | 140.1° | 135.0° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.6° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.4° |
| H26 | C28 | H27 | 109.5° | 109.6° |
| H28 | C29 | H29 | 109.5° | 109.5° |
| H30 | C30 | H31 | 109.5° | 109.7° |
| H32 | C35 | H33 | 109.4° | 109.5° |
| H34 | C36 | H35 | 109.5° | 109.5° |
| H34 | C36 | H36 | 109.5° | 109.5° |
| H35 | C36 | H36 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 2.6° | 0.0° |
| C6 | C5 | C4 | C1 | 177.4° | 180.0° |
| C6 | C5 | C4 | C9 | 1.8° | 0.3° |
| C5 | C6 | C7 | H3 | 177.4° | 180.0° |
| C7 | C6 | C5 | C4 | 3.1° | 0.0° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.7° | 0.3° |
| C6 | C7 | C8 | N10 | 177.8° | 180.0° |
| C7 | C6 | C5 | H1 | 176.9° | 180.0° |
| C5 | C4 | C1 | F3 | 15.6° | 150.3° |
| C5 | C4 | C1 | C9 | 179.2° | 179.7° |
| C5 | C4 | C1 | F2 | 137.5° | 89.7° |
| C5 | C4 | C1 | F1 | 105.5° | 30.3° |
| C5 | C4 | C9 | C8 | 0.0° | 0.6° |
| C4 | C5 | C6 | H2 | 176.9° | 180.0° |
| C5 | C4 | C9 | H4 | 180.0° | 179.7° |
| O33 | C32 | O34 | C35 | 16.1° | 0.1° |
| O33 | C32 | O34 | N31 | 176.2° | 179.9° |
| O33 | C32 | N31 | C30 | 29.9° | 0.0° |
| O33 | C32 | N31 | C28 | 150.3° | 179.9° |
| C7 | C8 | C9 | C4 | 0.5° | 0.6° |
| C7 | C8 | C9 | N10 | 177.0° | 179.7° |
| C7 | C8 | N10 | C11 | 26.4° | 0.1° |
| C7 | C8 | N10 | C13 | 156.3° | 123.8° |
| C8 | C7 | C6 | H2 | 177.4° | 180.0° |
| C7 | C8 | C9 | H4 | 179.5° | 179.7° |
| F3 | C1 | C4 | F2 | 121.9° | 120.0° |
| F3 | C1 | C4 | F1 | 121.2° | 120.0° |
| F3 | C1 | C4 | C9 | 165.2° | 30.0° |
| F3 | C1 | F2 | F1 | 110.0° | 120.0° |
| C36 | C35 | O34 | H32 | 120.4° | 120.0° |
| C36 | C35 | O34 | H33 | 120.4° | 120.0° |
| C36 | C35 | O34 | C32 | 91.0° | 179.9° |
| C36 | C35 | H32 | H33 | 118.8° | 120.0° |
| C35 | C36 | H34 | H35 | 120.0° | 120.0° |
| C35 | C36 | H34 | H36 | 120.0° | 119.9° |
| C35 | C36 | H35 | H36 | 120.0° | 120.0° |
| C4 | C1 | F2 | F1 | 125.2° | 120.0° |
| C1 | C4 | C9 | C8 | 179.2° | 179.7° |
| C1 | C4 | C5 | H1 | 2.6° | 0.0° |
| C1 | C4 | C9 | H4 | 0.8° | 0.0° |
| C9 | C4 | C1 | F2 | 43.3° | 90.0° |
| C9 | C4 | C1 | F1 | 73.7° | 150.0° |
| C4 | C9 | C8 | H4 | 180.0° | 179.7° |
| C4 | C9 | C8 | N10 | 176.5° | 179.7° |
| C9 | C4 | C5 | H1 | 178.2° | 179.7° |
| C35 | O34 | C32 | N31 | 160.1° | 180.0° |
| O34 | C35 | H32 | H33 | 118.8° | 120.0° |
| O34 | C35 | C36 | H34 | 180.0° | 60.0° |
| O34 | C35 | C36 | H35 | 60.0° | 60.0° |
| O34 | C35 | C36 | H36 | 60.0° | 179.9° |
| O34 | C32 | N31 | C30 | 153.9° | 179.9° |
| O34 | C32 | N31 | C28 | 25.9° | 0.0° |
| C32 | O34 | C35 | H32 | 29.4° | 60.0° |
| C32 | O34 | C35 | H33 | 148.6° | 60.1° |
| C32 | N31 | C30 | C28 | 179.8° | 179.9° |
| C32 | N31 | C30 | C29 | 136.1° | 126.4° |
| C32 | N31 | C28 | C27 | 174.6° | 126.4° |
| C32 | N31 | C28 | H26 | 64.0° | 113.8° |
| C32 | N31 | C28 | H27 | 53.2° | 6.6° |
| C32 | N31 | C30 | H30 | 103.6° | 6.6° |
| C32 | N31 | C30 | H31 | 15.7° | 113.8° |
| C9 | C8 | N10 | C11 | 156.7° | 179.7° |
| C9 | C8 | N10 | C13 | 20.7° | 55.9° |
| C9 | C8 | C7 | H3 | 179.3° | 179.7° |
| C8 | N10 | C11 | C13 | 177.5° | 123.9° |
| C8 | N10 | C11 | C12 | 141.0° | 176.8° |
| C8 | N10 | C13 | C14 | 161.9° | 176.8° |
| N10 | C8 | C7 | H3 | 2.2° | 0.1° |
| N10 | C8 | C9 | H4 | 3.5° | 0.1° |
| C8 | N10 | C11 | H5 | 99.1° | 56.8° |
| C8 | N10 | C11 | H6 | 21.1° | 63.3° |
| C8 | N10 | C13 | H9 | 77.3° | 63.2° |
| C8 | N10 | C13 | H10 | 41.2° | 56.8° |
| N31 | C30 | C29 | H30 | 120.4° | 119.8° |
| N31 | C30 | C29 | H31 | 120.3° | 119.8° |
| N31 | C30 | C29 | C26 | 55.1° | 54.6° |
| C30 | N31 | C28 | C27 | 5.2° | 53.6° |
| C30 | N31 | C28 | H26 | 116.2° | 66.1° |
| C30 | N31 | C28 | H27 | 126.6° | 173.5° |
| N31 | C30 | C29 | H28 | 176.0° | 65.4° |
| N31 | C30 | C29 | H29 | 65.7° | 174.6° |
| N31 | C30 | H30 | H31 | 118.9° | 120.4° |
| C29 | C30 | N31 | C28 | 44.1° | 53.6° |
| C30 | C29 | C26 | H28 | 120.9° | 120.0° |
| C30 | C29 | C26 | H29 | 120.9° | 119.9° |
| C30 | C29 | C26 | N25 | 143.2° | 178.6° |
| C30 | C29 | C26 | C27 | 15.1° | 61.4° |
| C30 | C29 | C26 | H23 | 97.7° | 58.6° |
| C30 | C29 | H28 | H29 | 117.4° | 120.1° |
| C29 | C30 | H30 | H31 | 118.9° | 120.3° |
| N31 | C28 | C27 | H26 | 121.4° | 119.8° |
| N31 | C28 | C27 | H27 | 121.4° | 119.9° |
| N31 | C28 | C27 | C26 | 47.9° | 54.6° |
| N31 | C28 | C27 | H24 | 169.0° | 174.6° |
| N31 | C28 | C27 | H25 | 73.2° | 65.3° |
| N31 | C28 | H26 | H27 | 115.6° | 120.5° |
| C28 | N31 | C30 | H30 | 76.2° | 173.4° |
| C28 | N31 | C30 | H31 | 164.4° | 66.1° |
| C29 | C26 | C27 | C28 | 34.2° | 61.4° |
| C29 | C26 | N25 | C27 | 126.5° | 120.1° |
| C29 | C26 | N25 | H23 | 119.1° | 120.0° |
| C29 | C26 | C27 | H23 | 113.3° | 120.0° |
| C29 | C26 | N25 | C20 | 142.3° | 84.9° |
| C29 | C26 | N25 | H22 | 20.3° | 95.1° |
| C29 | C26 | C27 | H24 | 155.3° | 178.6° |
| C29 | C26 | C27 | H25 | 87.0° | 58.7° |
| C26 | C29 | H28 | H29 | 117.3° | 120.1° |
| C26 | C29 | C30 | H30 | 65.2° | 174.5° |
| C26 | C29 | C30 | H31 | 175.5° | 65.2° |
| N10 | C11 | C12 | H5 | 119.8° | 120.0° |
| N10 | C11 | C12 | H6 | 119.9° | 120.0° |
| C11 | N10 | C13 | C14 | 20.3° | 59.3° |
| N10 | C11 | C12 | N15 | 60.9° | 58.4° |
| N10 | C11 | H5 | H6 | 120.3° | 120.1° |
| N10 | C11 | C12 | H7 | 178.3° | 61.6° |
| N10 | C11 | C12 | H8 | 59.9° | 178.4° |
| C11 | N10 | C13 | H9 | 100.4° | 60.7° |
| C11 | N10 | C13 | H10 | 141.1° | 179.3° |
| C13 | N10 | C11 | C12 | 36.5° | 59.3° |
| N10 | C13 | C14 | H9 | 120.7° | 120.0° |
| N10 | C13 | C14 | H10 | 120.7° | 119.9° |
| N10 | C13 | C14 | N15 | 64.6° | 58.4° |
| C13 | N10 | C11 | H5 | 83.4° | 179.3° |
| C13 | N10 | C11 | H6 | 156.4° | 60.7° |
| N10 | C13 | H9 | H10 | 117.7° | 120.0° |
| N10 | C13 | C14 | H11 | 175.1° | 178.4° |
| N10 | C13 | C14 | H12 | 55.5° | 61.6° |
| C11 | C12 | N15 | H7 | 120.8° | 120.0° |
| C11 | C12 | N15 | H8 | 120.9° | 120.0° |
| C11 | C12 | N15 | C14 | 18.7° | 59.3° |
| C11 | C12 | N15 | C16 | 104.9° | 176.8° |
| C12 | C11 | H5 | H6 | 120.4° | 120.0° |
| C11 | C12 | H7 | H8 | 117.5° | 120.0° |
| C28 | C27 | C26 | N25 | 97.7° | 178.6° |
| C28 | C27 | C26 | H24 | 121.1° | 120.0° |
| C28 | C27 | C26 | H25 | 121.1° | 120.0° |
| C28 | C27 | C26 | H23 | 147.4° | 58.6° |
| C28 | C27 | H24 | H25 | 116.4° | 120.1° |
| C27 | C28 | H26 | H27 | 115.6° | 120.3° |
| N25 | C26 | C27 | H23 | 114.8° | 120.0° |
| C26 | N25 | C20 | H22 | 122.0° | 180.0° |
| C26 | N25 | C20 | C19 | 133.0° | 180.0° |
| C26 | N25 | C20 | C21 | 34.0° | 0.0° |
| N25 | C26 | C27 | H24 | 23.4° | 58.6° |
| N25 | C26 | C27 | H25 | 141.2° | 61.4° |
| N25 | C26 | C29 | H28 | 95.9° | 61.4° |
| N25 | C26 | C29 | H29 | 22.4° | 58.6° |
| C27 | C26 | N25 | C20 | 91.2° | 155.0° |
| C27 | C26 | N25 | H22 | 146.7° | 25.0° |
| C26 | C27 | H24 | H25 | 116.4° | 120.0° |
| C26 | C27 | C28 | H26 | 73.5° | 65.2° |
| C26 | C27 | C28 | H27 | 169.3° | 174.5° |
| C27 | C26 | C29 | H28 | 135.9° | 58.6° |
| C27 | C26 | C29 | H29 | 105.8° | 178.7° |
| N25 | C20 | C19 | N18 | 8.8° | 0.0° |
| N25 | C20 | C19 | C21 | 170.7° | 180.0° |
| N25 | C20 | C19 | C22 | 171.1° | 179.8° |
| N25 | C20 | C21 | C22 | 171.0° | 179.8° |
| N25 | C20 | C21 | O24 | 8.2° | 0.0° |
| C20 | N25 | C26 | H23 | 23.2° | 35.0° |
| C13 | C14 | N15 | C12 | 39.0° | 59.3° |
| C13 | C14 | N15 | H11 | 120.2° | 119.9° |
| C13 | C14 | N15 | H12 | 120.2° | 120.0° |
| C13 | C14 | N15 | C16 | 162.6° | 176.8° |
| C14 | C13 | H9 | H10 | 117.7° | 120.1° |
| C13 | C14 | H11 | H12 | 119.4° | 120.0° |
| C17 | N18 | C19 | H18 | 122.6° | 179.9° |
| N18 | C17 | C16 | H16 | 120.7° | 120.0° |
| N18 | C17 | C16 | H17 | 120.7° | 120.0° |
| C17 | N18 | C19 | C20 | 136.6° | 179.7° |
| C17 | N18 | C19 | C22 | 43.7° | 0.1° |
| N18 | C17 | C16 | N15 | 71.3° | 180.0° |
| N18 | C17 | C16 | H14 | 168.6° | 60.0° |
| N18 | C17 | C16 | H15 | 48.8° | 60.0° |
| N18 | C17 | H16 | H17 | 117.8° | 120.0° |
| C19 | N18 | C17 | C16 | 59.2° | 179.9° |
| N18 | C19 | C20 | C22 | 179.8° | 179.8° |
| N18 | C19 | C20 | C21 | 179.5° | 180.0° |
| N18 | C19 | C22 | C21 | 179.5° | 180.0° |
| N18 | C19 | C22 | O23 | 0.1° | 0.0° |
| C19 | N18 | C17 | H16 | 179.9° | 59.9° |
| C19 | N18 | C17 | H17 | 61.5° | 60.1° |
| C17 | C16 | N15 | C12 | 33.2° | 170.0° |
| C17 | C16 | N15 | C14 | 89.3° | 66.2° |
| C17 | C16 | N15 | H14 | 120.1° | 120.0° |
| C17 | C16 | N15 | H15 | 120.1° | 120.0° |
| C17 | C16 | H14 | H15 | 119.6° | 120.0° |
| C16 | C17 | H16 | H17 | 117.8° | 120.0° |
| C16 | C17 | N18 | H18 | 178.2° | 0.0° |
| C12 | N15 | C14 | C16 | 123.5° | 123.9° |
| N15 | C12 | C11 | H5 | 58.9° | 178.4° |
| N15 | C12 | C11 | H6 | 179.2° | 61.6° |
| N15 | C12 | H7 | H8 | 117.4° | 120.1° |
| C12 | N15 | C14 | H11 | 159.3° | 179.3° |
| C12 | N15 | C14 | H12 | 81.1° | 60.6° |
| C12 | N15 | C16 | H14 | 153.4° | 70.0° |
| C12 | N15 | C16 | H15 | 86.9° | 50.0° |
| C14 | N15 | C12 | H7 | 139.5° | 60.6° |
| C14 | N15 | C12 | H8 | 102.2° | 179.3° |
| N15 | C14 | C13 | H9 | 56.1° | 61.6° |
| N15 | C14 | C13 | H10 | 174.6° | 178.3° |
| N15 | C14 | H11 | H12 | 119.4° | 120.1° |
| C14 | N15 | C16 | H14 | 30.8° | 53.8° |
| C14 | N15 | C16 | H15 | 150.5° | 173.8° |
| C19 | C20 | C21 | C22 | 0.4° | 0.2° |
| C19 | C20 | C21 | O24 | 178.9° | 180.0° |
| C20 | C19 | C22 | O23 | 179.9° | 179.8° |
| C20 | C19 | N18 | H18 | 14.0° | 0.3° |
| C19 | C20 | N25 | H22 | 11.0° | 0.1° |
| C20 | C21 | C22 | O24 | 179.2° | 179.8° |
| C20 | C21 | C22 | O23 | 179.9° | 179.8° |
| C21 | C20 | N25 | H22 | 156.1° | 179.9° |
| C19 | C22 | C21 | O23 | 179.5° | 180.0° |
| C19 | C22 | C21 | O24 | 178.8° | 180.0° |
| C22 | C19 | N18 | H18 | 166.3° | 180.0° |
| C16 | N15 | C12 | H7 | 15.9° | 63.2° |
| C16 | N15 | C12 | H8 | 134.2° | 56.8° |
| C16 | N15 | C14 | H11 | 77.2° | 56.8° |
| C16 | N15 | C14 | H12 | 42.4° | 63.3° |
| N15 | C16 | H14 | H15 | 119.7° | 120.0° |
| N15 | C16 | C17 | H16 | 49.4° | 60.0° |
| N15 | C16 | C17 | H17 | 168.0° | 60.0° |
| O24 | C21 | C22 | O23 | 0.7° | 0.1° |
| H1 | C5 | C6 | H2 | 3.1° | 0.0° |
| H2 | C6 | C7 | H3 | 2.6° | 0.0° |
| H5 | C11 | C12 | H7 | 61.9° | 58.4° |
| H5 | C11 | C12 | H8 | 179.8° | 61.7° |
| H6 | C11 | C12 | H7 | 58.4° | 178.4° |
| H6 | C11 | C12 | H8 | 60.0° | 58.4° |
| H9 | C13 | C14 | H11 | 64.1° | 58.5° |
| H9 | C13 | C14 | H12 | 176.2° | 178.5° |
| H10 | C13 | C14 | H11 | 54.4° | 61.7° |
| H10 | C13 | C14 | H12 | 65.2° | 58.3° |
| H14 | C16 | C17 | H16 | 70.7° | 180.0° |
| H14 | C16 | C17 | H17 | 47.9° | 60.0° |
| H15 | C16 | C17 | H16 | 169.5° | 60.0° |
| H15 | C16 | C17 | H17 | 71.8° | 180.0° |
| H16 | C17 | N18 | H18 | 57.5° | 120.0° |
| H17 | C17 | N18 | H18 | 61.1° | 120.0° |
| H22 | N25 | C26 | H23 | 98.8° | 145.0° |
| H23 | C26 | C27 | H24 | 91.4° | 61.4° |
| H23 | C26 | C27 | H25 | 26.3° | 178.6° |
| H23 | C26 | C29 | H28 | 23.2° | 178.6° |
| H23 | C26 | C29 | H29 | 141.4° | 61.3° |
| H24 | C27 | C28 | H26 | 47.7° | 54.8° |
| H24 | C27 | C28 | H27 | 69.6° | 65.5° |
| H25 | C27 | C28 | H26 | 165.4° | 174.9° |
| H25 | C27 | C28 | H27 | 48.2° | 54.5° |
| H28 | C29 | C30 | H30 | 55.6° | 54.5° |
| H28 | C29 | C30 | H31 | 63.7° | 174.9° |
| H29 | C29 | C30 | H30 | 173.9° | 65.6° |
| H29 | C29 | C30 | H31 | 54.6° | 54.8° |
| H32 | C35 | C36 | H34 | 59.6° | 180.0° |
| H32 | C35 | C36 | H35 | 60.4° | 60.0° |
| H32 | C35 | C36 | H36 | 179.6° | 60.1° |
| H33 | C35 | C36 | H34 | 59.6° | 60.0° |
| H33 | C35 | C36 | H35 | 179.6° | 180.0° |
| H33 | C35 | C36 | H36 | 60.4° | 60.0° |
| H34 | C36 | H35 | H36 | 120.0° | 120.0° |
