7GS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F8 | C7 | sing | 1.35Å | 1.34Å | |
| O6 | C5 | sing | 1.36Å | 1.39Å | |
| C41 | C40 | sing | 1.53Å | 1.53Å | |
| C41 | C42 | sing | 1.53Å | 1.56Å | |
| C7 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.36Å | Aromatic |
| C40 | N39 | sing | 1.47Å | 1.50Å | |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C43 | sing | 1.53Å | 1.55Å | |
| N35 | C34 | doub | 1.32Å | 1.32Å | Aromatic |
| N35 | C36 | sing | 1.33Å | 1.36Å | Aromatic |
| C10 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.51Å | |
| C3 | C2 | sing | 1.51Å | 1.54Å | |
| C12 | C13 | doub | 1.36Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.40Å | 1.40Å | Aromatic |
| N39 | C36 | sing | 1.38Å | 1.39Å | |
| N39 | C44 | sing | 1.47Å | 1.47Å | |
| C43 | C44 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.41Å | 1.44Å | Aromatic |
| C11 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C36 | C37 | doub | 1.40Å | 1.42Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C24 | N25 | sing | 1.47Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| N22 | C23 | sing | 1.36Å | 1.36Å | Aromatic |
| N22 | C21 | sing | 1.37Å | 1.29Å | Aromatic |
| C23 | C28 | doub | 1.35Å | 1.34Å | Aromatic |
| C14 | C19 | sing | 1.47Å | 1.36Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.48Å | Aromatic |
| N25 | C26 | sing | 1.47Å | 1.45Å | |
| N25 | C31 | sing | 1.35Å | 1.35Å | |
| C20 | C19 | sing | 1.41Å | 1.40Å | Aromatic |
| C33 | C31 | sing | 1.48Å | 1.43Å | |
| C33 | N38 | doub | 1.33Å | 1.32Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.48Å | |
| C31 | O32 | doub | 1.22Å | 1.21Å | |
| C21 | C15 | sing | 1.47Å | 1.45Å | |
| C21 | N29 | doub | 1.32Å | 1.33Å | Aromatic |
| C19 | N17 | doub | 1.32Å | 1.38Å | Aromatic |
| C37 | N38 | sing | 1.31Å | 1.32Å | Aromatic |
| C15 | N16 | sing | 1.35Å | 1.29Å | Aromatic |
| C28 | N29 | sing | 1.33Å | 1.32Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.51Å | |
| N17 | N16 | sing | 1.40Å | 1.35Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| O6 | H13 | sing | 0.97Å | 0.95Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| N16 | H16 | sing | 0.97Å | 1.00Å | |
| N22 | H17 | sing | 0.97Å | 1.00Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.08Å | 1.08Å | |
| C37 | H22 | sing | 1.08Å | 1.08Å | |
| C40 | H23 | sing | 1.09Å | 1.10Å | |
| C40 | H24 | sing | 1.09Å | 1.10Å | |
| C41 | H25 | sing | 1.09Å | 1.10Å | |
| C41 | H26 | sing | 1.09Å | 1.10Å | |
| C42 | H27 | sing | 1.09Å | 1.10Å | |
| C42 | H28 | sing | 1.09Å | 1.10Å | |
| C43 | H29 | sing | 1.09Å | 1.10Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C44 | H31 | sing | 1.09Å | 1.10Å | |
| C44 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F8 | C7 | C5 | 116.6° | 120.0° |
| F8 | C7 | C9 | 120.9° | 120.0° |
| O6 | C5 | C7 | 117.9° | 119.9° |
| O6 | C5 | C4 | 123.5° | 120.0° |
| C5 | O6 | H13 | 109.5° | 114.0° |
| C40 | C41 | C42 | 112.2° | 109.2° |
| C41 | C40 | N39 | 114.5° | 109.5° |
| C41 | C40 | H23 | 108.2° | 109.4° |
| C41 | C40 | H24 | 108.2° | 109.4° |
| C40 | C41 | H25 | 108.8° | 109.5° |
| C40 | C41 | H26 | 108.8° | 109.5° |
| C41 | C42 | C43 | 108.3° | 109.2° |
| C42 | C41 | H25 | 108.8° | 109.5° |
| C42 | C41 | H26 | 108.8° | 109.5° |
| C41 | C42 | H27 | 109.7° | 109.5° |
| C41 | C42 | H28 | 109.8° | 109.5° |
| C5 | C7 | C9 | 122.5° | 120.0° |
| C7 | C5 | C4 | 118.4° | 120.1° |
| C7 | C9 | C10 | 118.0° | 119.9° |
| C7 | C9 | H14 | 121.0° | 120.0° |
| C5 | C4 | C3 | 121.2° | 120.1° |
| C5 | C4 | H1 | 119.4° | 120.0° |
| C40 | N39 | C36 | 118.0° | 111.0° |
| C40 | N39 | C44 | 117.7° | 111.2° |
| N39 | C40 | H23 | 108.2° | 109.5° |
| N39 | C40 | H24 | 108.2° | 109.5° |
| C9 | C10 | C3 | 119.2° | 119.9° |
| C9 | C10 | C11 | 113.3° | 120.0° |
| C10 | C9 | H14 | 121.0° | 120.1° |
| C4 | C3 | C10 | 120.6° | 119.9° |
| C4 | C3 | C2 | 118.8° | 120.0° |
| C3 | C4 | H1 | 119.4° | 119.9° |
| C42 | C43 | C44 | 104.3° | 109.2° |
| C43 | C42 | H27 | 109.8° | 109.6° |
| C43 | C42 | H28 | 109.7° | 109.6° |
| C42 | C43 | H29 | 110.8° | 109.5° |
| C42 | C43 | H30 | 110.7° | 109.5° |
| C34 | N35 | C36 | 121.0° | 120.0° |
| N35 | C34 | C33 | 121.4° | 120.0° |
| N35 | C34 | H21 | 119.3° | 120.0° |
| N35 | C36 | N39 | 119.7° | 120.0° |
| N35 | C36 | C37 | 116.3° | 120.0° |
| C3 | C10 | C11 | 127.4° | 120.0° |
| C10 | C3 | C2 | 120.5° | 120.1° |
| C10 | C11 | C12 | 115.5° | 119.3° |
| C10 | C11 | C20 | 122.5° | 119.3° |
| C3 | C2 | C1 | 111.8° | 109.5° |
| C3 | C2 | H11 | 108.9° | 109.4° |
| C3 | C2 | H12 | 108.9° | 109.5° |
| C13 | C12 | C11 | 123.8° | 121.5° |
| C12 | C13 | C14 | 113.4° | 119.9° |
| C12 | C13 | H2 | 123.3° | 120.0° |
| C13 | C12 | H15 | 118.1° | 119.3° |
| C12 | C11 | C20 | 122.1° | 121.3° |
| C11 | C12 | H15 | 118.1° | 119.2° |
| C34 | C33 | C31 | 116.7° | 119.9° |
| C34 | C33 | N38 | 118.7° | 120.0° |
| C33 | C34 | H21 | 119.3° | 120.0° |
| C36 | N39 | C44 | 120.7° | 111.0° |
| N39 | C36 | C37 | 124.0° | 120.0° |
| N39 | C44 | C43 | 112.1° | 109.5° |
| N39 | C44 | H31 | 108.8° | 109.5° |
| N39 | C44 | H32 | 108.8° | 109.5° |
| C44 | C43 | H29 | 110.7° | 109.6° |
| C44 | C43 | H30 | 110.7° | 109.5° |
| C43 | C44 | H31 | 108.8° | 109.4° |
| C43 | C44 | H32 | 108.8° | 109.4° |
| C13 | C14 | C19 | 122.8° | 119.2° |
| C13 | C14 | C15 | 132.1° | 134.5° |
| C14 | C13 | H2 | 123.3° | 120.1° |
| C11 | C20 | C19 | 115.3° | 119.4° |
| C11 | C20 | H3 | 122.4° | 120.3° |
| C36 | C37 | N38 | 122.2° | 120.0° |
| C36 | C37 | H22 | 118.9° | 120.0° |
| C23 | C24 | N25 | 106.4° | 107.3° |
| C24 | C23 | N22 | 127.7° | 128.4° |
| C24 | C23 | C28 | 125.4° | 124.1° |
| C23 | C24 | H4 | 110.2° | 109.9° |
| C23 | C24 | H5 | 110.2° | 109.9° |
| C24 | N25 | C26 | 117.1° | 118.3° |
| C24 | N25 | C31 | 121.8° | 120.9° |
| N25 | C24 | H4 | 110.2° | 109.9° |
| N25 | C24 | H5 | 110.2° | 109.9° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.4° | 109.5° |
| C1 | C2 | H11 | 108.8° | 109.4° |
| C1 | C2 | H12 | 108.9° | 109.5° |
| C23 | N22 | C21 | 107.2° | 106.8° |
| N22 | C23 | C28 | 106.8° | 107.5° |
| C23 | N22 | H17 | 126.4° | 126.6° |
| N22 | C21 | C15 | 129.4° | 125.8° |
| N22 | C21 | N29 | 110.5° | 108.2° |
| C21 | N22 | H17 | 126.4° | 126.6° |
| C23 | C28 | N29 | 108.7° | 108.2° |
| C23 | C28 | C27 | 126.6° | 124.3° |
| C19 | C14 | C15 | 104.9° | 106.3° |
| C14 | C19 | C20 | 122.7° | 118.7° |
| C14 | C19 | N17 | 107.6° | 107.0° |
| C14 | C15 | C21 | 128.0° | 126.2° |
| C14 | C15 | N16 | 107.8° | 107.5° |
| C26 | N25 | C31 | 121.1° | 120.8° |
| N25 | C26 | C27 | 119.3° | 109.1° |
| N25 | C26 | H6 | 107.0° | 109.7° |
| N25 | C26 | H7 | 107.0° | 109.4° |
| N25 | C31 | C33 | 128.0° | 119.9° |
| N25 | C31 | O32 | 120.4° | 120.0° |
| C20 | C19 | N17 | 129.8° | 134.3° |
| C19 | C20 | H3 | 122.4° | 120.3° |
| C31 | C33 | N38 | 124.4° | 120.1° |
| C33 | C31 | O32 | 111.6° | 120.0° |
| C33 | N38 | C37 | 120.4° | 120.0° |
| C26 | C27 | C28 | 106.0° | 108.8° |
| C27 | C26 | H6 | 107.0° | 109.6° |
| C27 | C26 | H7 | 106.9° | 109.5° |
| C26 | C27 | H18 | 110.3° | 109.6° |
| C26 | C27 | H19 | 110.3° | 109.6° |
| C15 | C21 | N29 | 120.1° | 125.9° |
| C21 | C15 | N16 | 124.1° | 126.3° |
| C21 | N29 | C28 | 106.8° | 109.3° |
| C19 | N17 | N16 | 109.3° | 109.3° |
| N38 | C37 | H22 | 118.9° | 120.0° |
| C15 | N16 | N17 | 110.3° | 109.8° |
| C15 | N16 | H16 | 124.9° | 125.1° |
| N29 | C28 | C27 | 124.7° | 127.5° |
| C28 | C27 | H18 | 110.3° | 109.4° |
| C28 | C27 | H19 | 110.3° | 109.8° |
| N17 | N16 | H16 | 124.9° | 125.1° |
| H4 | C24 | H5 | 109.5° | 109.9° |
| H6 | C26 | H7 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.4° | 109.5° |
| H8 | C1 | H10 | 109.5° | 109.4° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.4° |
| H18 | C27 | H19 | 109.4° | 109.6° |
| H23 | C40 | H24 | 109.5° | 109.5° |
| H25 | C41 | H26 | 109.5° | 109.6° |
| H27 | C42 | H28 | 109.5° | 109.5° |
| H29 | C43 | H30 | 109.5° | 109.5° |
| H31 | C44 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F8 | C7 | C5 | O6 | 2.7° | 0.0° |
| F8 | C7 | C5 | C9 | 179.9° | 180.0° |
| F8 | C7 | C5 | C4 | 178.8° | 180.0° |
| F8 | C7 | C9 | C10 | 179.8° | 179.8° |
| F8 | C7 | C9 | H14 | 0.2° | 0.0° |
| O6 | C5 | C7 | C4 | 176.1° | 179.9° |
| O6 | C5 | C7 | C9 | 177.4° | 180.0° |
| O6 | C5 | C4 | C3 | 177.4° | 180.0° |
| O6 | C5 | C4 | H1 | 2.6° | 0.2° |
| C40 | C41 | C42 | H25 | 120.4° | 119.9° |
| C40 | C41 | C42 | H26 | 120.4° | 119.9° |
| C41 | C40 | N39 | H23 | 120.7° | 120.0° |
| C41 | C40 | N39 | H24 | 120.7° | 120.0° |
| C40 | C41 | C42 | C43 | 33.2° | 57.7° |
| C41 | C40 | N39 | C36 | 157.8° | 174.1° |
| C41 | C40 | N39 | C44 | 43.8° | 61.8° |
| C41 | C40 | H23 | H24 | 117.7° | 119.9° |
| C40 | C41 | H25 | H26 | 118.7° | 120.2° |
| C40 | C41 | C42 | H27 | 153.0° | 62.3° |
| C40 | C41 | C42 | H28 | 86.6° | 177.6° |
| C42 | C41 | C40 | N39 | 23.4° | 59.2° |
| C41 | C42 | C43 | H27 | 119.8° | 119.9° |
| C41 | C42 | C43 | H28 | 119.8° | 119.9° |
| C41 | C42 | C43 | C44 | 73.3° | 57.6° |
| C42 | C41 | C40 | H23 | 144.1° | 60.8° |
| C42 | C41 | C40 | H24 | 97.3° | 179.2° |
| C42 | C41 | H25 | H26 | 118.8° | 120.1° |
| C41 | C42 | H27 | H28 | 120.5° | 120.1° |
| C41 | C42 | C43 | H29 | 45.9° | 177.6° |
| C41 | C42 | C43 | H30 | 167.6° | 62.3° |
| C5 | C7 | C9 | C10 | 0.2° | 0.2° |
| C7 | C5 | C4 | C3 | 1.6° | 0.0° |
| C7 | C5 | C4 | H1 | 178.5° | 179.7° |
| C7 | C5 | O6 | H13 | 180.0° | 90.0° |
| C5 | C7 | C9 | H14 | 179.8° | 180.0° |
| C9 | C7 | C5 | C4 | 1.3° | 0.0° |
| C7 | C9 | C10 | H14 | 180.0° | 179.8° |
| C7 | C9 | C10 | C3 | 0.6° | 0.5° |
| C7 | C9 | C10 | C11 | 177.1° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | C10 | 0.8° | 0.2° |
| C5 | C4 | C3 | C2 | 178.0° | 179.7° |
| C4 | C5 | O6 | H13 | 4.1° | 89.9° |
| C40 | N39 | C36 | N35 | 22.9° | 124.2° |
| C40 | N39 | C36 | C44 | 157.8° | 124.2° |
| C40 | N39 | C44 | C43 | 2.2° | 61.8° |
| C40 | N39 | C36 | C37 | 157.2° | 55.8° |
| N39 | C40 | H23 | H24 | 117.7° | 120.1° |
| N39 | C40 | C41 | H25 | 143.8° | 179.1° |
| N39 | C40 | C41 | H26 | 97.0° | 60.7° |
| C40 | N39 | C44 | H31 | 122.6° | 178.2° |
| C40 | N39 | C44 | H32 | 118.2° | 58.2° |
| C9 | C10 | C3 | C4 | 0.3° | 0.5° |
| C9 | C10 | C3 | C11 | 176.0° | 179.5° |
| C9 | C10 | C3 | C2 | 179.1° | 179.4° |
| C9 | C10 | C11 | C12 | 112.6° | 122.4° |
| C9 | C10 | C11 | C20 | 66.3° | 56.8° |
| C4 | C3 | C10 | C2 | 178.8° | 179.9° |
| C4 | C3 | C10 | C11 | 176.3° | 180.0° |
| C4 | C3 | C2 | C1 | 103.7° | 99.0° |
| C4 | C3 | C2 | H11 | 135.9° | 141.0° |
| C4 | C3 | C2 | H12 | 16.6° | 21.1° |
| C42 | C43 | C44 | N39 | 54.6° | 59.1° |
| C42 | C43 | C44 | H29 | 119.2° | 120.0° |
| C42 | C43 | C44 | H30 | 119.2° | 119.9° |
| C43 | C42 | C41 | H25 | 87.2° | 177.6° |
| C43 | C42 | C41 | H26 | 153.6° | 62.3° |
| C43 | C42 | H27 | H28 | 120.5° | 120.2° |
| C42 | C43 | H29 | H30 | 122.4° | 120.1° |
| C42 | C43 | C44 | H31 | 65.8° | 179.2° |
| C42 | C43 | C44 | H32 | 175.0° | 60.9° |
| N35 | C34 | C33 | H21 | 180.0° | 179.9° |
| C34 | N35 | C36 | N39 | 179.6° | 180.0° |
| C34 | N35 | C36 | C37 | 0.5° | 0.0° |
| N35 | C34 | C33 | C31 | 178.4° | 180.0° |
| N35 | C34 | C33 | N38 | 4.2° | 0.3° |
| C36 | N35 | C34 | C33 | 2.4° | 0.1° |
| N35 | C36 | N39 | C37 | 179.9° | 180.0° |
| N35 | C36 | N39 | C44 | 179.3° | 0.0° |
| N35 | C36 | C37 | N38 | 0.4° | 0.3° |
| C36 | N35 | C34 | H21 | 177.6° | 180.0° |
| N35 | C36 | C37 | H22 | 179.6° | 180.0° |
| C3 | C10 | C11 | C12 | 63.5° | 58.1° |
| C3 | C10 | C11 | C20 | 117.6° | 122.7° |
| C10 | C3 | C2 | C1 | 75.1° | 80.9° |
| C10 | C3 | C4 | H1 | 179.2° | 180.0° |
| C10 | C3 | C2 | H11 | 45.3° | 39.0° |
| C10 | C3 | C2 | H12 | 164.6° | 159.0° |
| C3 | C10 | C9 | H14 | 179.4° | 179.7° |
| C11 | C10 | C3 | C2 | 5.0° | 0.1° |
| C10 | C11 | C12 | C13 | 178.5° | 179.8° |
| C10 | C11 | C12 | C20 | 178.9° | 179.2° |
| C10 | C11 | C20 | C19 | 178.7° | 180.0° |
| C10 | C11 | C20 | H3 | 1.3° | 0.5° |
| C11 | C10 | C9 | H14 | 2.9° | 0.2° |
| C10 | C11 | C12 | H15 | 1.4° | 0.2° |
| C3 | C2 | C1 | H11 | 120.4° | 120.0° |
| C3 | C2 | C1 | H12 | 120.3° | 120.1° |
| C2 | C3 | C4 | H1 | 2.0° | 0.1° |
| C3 | C2 | C1 | H8 | 180.0° | 57.8° |
| C3 | C2 | C1 | H9 | 60.0° | 62.2° |
| C3 | C2 | C1 | H10 | 60.0° | 177.8° |
| C3 | C2 | H11 | H12 | 118.9° | 120.0° |
| C13 | C12 | C11 | H15 | 180.0° | 180.0° |
| C12 | C13 | C14 | H2 | 180.0° | 179.7° |
| C13 | C12 | C11 | C20 | 0.4° | 0.6° |
| C12 | C13 | C14 | C19 | 1.7° | 0.3° |
| C12 | C13 | C14 | C15 | 175.5° | 179.8° |
| C11 | C12 | C13 | C14 | 1.1° | 0.0° |
| C12 | C11 | C20 | C19 | 0.1° | 0.8° |
| C11 | C12 | C13 | H2 | 178.9° | 179.8° |
| C12 | C11 | C20 | H3 | 179.9° | 179.7° |
| C34 | C33 | C31 | N25 | 46.5° | 172.3° |
| C34 | C33 | C31 | N38 | 173.8° | 179.7° |
| C34 | C33 | C31 | O32 | 131.4° | 7.7° |
| C34 | C33 | N38 | C37 | 4.2° | 0.5° |
| C36 | N39 | C44 | C43 | 160.0° | 174.2° |
| N39 | C36 | C37 | N38 | 179.6° | 179.8° |
| N39 | C36 | C37 | H22 | 0.3° | 0.0° |
| C36 | N39 | C40 | H23 | 37.0° | 65.9° |
| C36 | N39 | C40 | H24 | 81.5° | 54.2° |
| C36 | N39 | C44 | H31 | 79.6° | 54.2° |
| C36 | N39 | C44 | H32 | 39.6° | 65.9° |
| N39 | C44 | C43 | H31 | 120.4° | 120.0° |
| N39 | C44 | C43 | H32 | 120.4° | 120.0° |
| C44 | N39 | C36 | C37 | 0.6° | 180.0° |
| C44 | N39 | C40 | H23 | 164.5° | 58.2° |
| C44 | N39 | C40 | H24 | 77.0° | 178.2° |
| N39 | C44 | C43 | H29 | 64.6° | 179.1° |
| N39 | C44 | C43 | H30 | 173.8° | 60.7° |
| N39 | C44 | H31 | H32 | 118.8° | 120.0° |
| C44 | C43 | C42 | H27 | 166.9° | 62.3° |
| C44 | C43 | C42 | H28 | 46.6° | 177.5° |
| C44 | C43 | H29 | H30 | 122.3° | 120.1° |
| C43 | C44 | H31 | H32 | 118.8° | 119.9° |
| C13 | C14 | C19 | C15 | 175.2° | 179.9° |
| C13 | C14 | C19 | C20 | 1.6° | 0.1° |
| C13 | C14 | C15 | C21 | 0.8° | 0.4° |
| C13 | C14 | C19 | N17 | 177.7° | 179.6° |
| C13 | C14 | C15 | N16 | 175.0° | 180.0° |
| C14 | C13 | C12 | H15 | 178.9° | 180.0° |
| C11 | C20 | C19 | C14 | 0.7° | 0.5° |
| C11 | C20 | C19 | H3 | 180.0° | 179.5° |
| C11 | C20 | C19 | N17 | 178.5° | 180.0° |
| C20 | C11 | C12 | H15 | 179.6° | 179.4° |
| C36 | C37 | N38 | C33 | 2.4° | 0.5° |
| C36 | C37 | N38 | H22 | 180.0° | 179.8° |
| C23 | C24 | N25 | H4 | 119.5° | 119.5° |
| C23 | C24 | N25 | H5 | 119.5° | 119.5° |
| C24 | C23 | N22 | C28 | 176.3° | 180.0° |
| C24 | C23 | N22 | C21 | 178.8° | 179.7° |
| C23 | C24 | N25 | C26 | 38.0° | 44.0° |
| C23 | C24 | N25 | C31 | 139.8° | 135.9° |
| C24 | C23 | C28 | N29 | 178.9° | 180.0° |
| C24 | C23 | C28 | C27 | 3.9° | 0.6° |
| C23 | C24 | H4 | H5 | 121.4° | 121.1° |
| C24 | C23 | N22 | H17 | 1.2° | 0.1° |
| N25 | C24 | C23 | N22 | 169.5° | 168.9° |
| N25 | C24 | C23 | C28 | 14.8° | 11.1° |
| C24 | N25 | C26 | C31 | 177.8° | 180.0° |
| C24 | N25 | C31 | C33 | 6.7° | 6.8° |
| C24 | N25 | C26 | C27 | 55.1° | 64.5° |
| C24 | N25 | C31 | O32 | 175.7° | 173.2° |
| N25 | C24 | H4 | H5 | 121.4° | 121.1° |
| C24 | N25 | C26 | H6 | 66.3° | 55.5° |
| C24 | N25 | C26 | H7 | 176.5° | 175.7° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C1 | C2 | H11 | H12 | 118.9° | 120.0° |
| C23 | N22 | C21 | H17 | 180.0° | 179.9° |
| C23 | N22 | C21 | C15 | 177.1° | 179.8° |
| C23 | N22 | C21 | N29 | 1.6° | 0.4° |
| N22 | C23 | C28 | N29 | 2.5° | 0.1° |
| N22 | C23 | C28 | C27 | 179.6° | 179.4° |
| N22 | C23 | C24 | H4 | 71.0° | 71.7° |
| N22 | C23 | C24 | H5 | 50.0° | 49.4° |
| C21 | N22 | C23 | C28 | 2.5° | 0.3° |
| N22 | C21 | C15 | C14 | 8.0° | 179.3° |
| N22 | C21 | C15 | N29 | 178.6° | 179.7° |
| N22 | C21 | C15 | N16 | 176.8° | 0.2° |
| N22 | C21 | N29 | C28 | 0.0° | 0.4° |
| C23 | C28 | C27 | C26 | 13.2° | 18.4° |
| C23 | C28 | N29 | C21 | 1.6° | 0.2° |
| C23 | C28 | N29 | C27 | 177.2° | 179.4° |
| C28 | C23 | C24 | H4 | 104.7° | 108.4° |
| C28 | C23 | C24 | H5 | 134.3° | 130.5° |
| C28 | C23 | N22 | H17 | 177.5° | 179.8° |
| C23 | C28 | C27 | H18 | 132.6° | 138.1° |
| C23 | C28 | C27 | H19 | 106.3° | 101.6° |
| C14 | C19 | C20 | N17 | 179.2° | 179.5° |
| C19 | C14 | C15 | C21 | 175.4° | 179.7° |
| C19 | C14 | C15 | N16 | 0.4° | 0.1° |
| C14 | C19 | N17 | N16 | 3.8° | 0.6° |
| C19 | C14 | C13 | H2 | 178.3° | 179.9° |
| C14 | C19 | C20 | H3 | 179.3° | 180.0° |
| C15 | C14 | C19 | C20 | 176.9° | 180.0° |
| C14 | C15 | C21 | N16 | 175.2° | 179.5° |
| C14 | C15 | C21 | N29 | 173.3° | 0.4° |
| C15 | C14 | C19 | N17 | 2.5° | 0.3° |
| C14 | C15 | N16 | N17 | 2.0° | 0.4° |
| C15 | C14 | C13 | H2 | 4.5° | 0.0° |
| C14 | C15 | N16 | H16 | 178.0° | 179.6° |
| C26 | N25 | C31 | C33 | 175.6° | 173.2° |
| N25 | C26 | C27 | H6 | 121.4° | 120.1° |
| N25 | C26 | C27 | H7 | 121.4° | 119.8° |
| C26 | N25 | C31 | O32 | 2.1° | 6.8° |
| N25 | C26 | C27 | C28 | 37.5° | 45.7° |
| C26 | N25 | C24 | H4 | 81.5° | 75.4° |
| C26 | N25 | C24 | H5 | 157.5° | 163.5° |
| N25 | C26 | H6 | H7 | 115.5° | 120.1° |
| N25 | C26 | C27 | H18 | 157.0° | 165.3° |
| N25 | C26 | C27 | H19 | 81.9° | 74.3° |
| N25 | C31 | C33 | O32 | 177.8° | 180.0° |
| N25 | C31 | C33 | N38 | 139.7° | 8.0° |
| C31 | N25 | C26 | C27 | 122.7° | 115.5° |
| C31 | N25 | C24 | H4 | 100.7° | 104.6° |
| C31 | N25 | C24 | H5 | 20.3° | 16.5° |
| C31 | N25 | C26 | H6 | 115.8° | 124.5° |
| C31 | N25 | C26 | H7 | 1.4° | 4.3° |
| C20 | C19 | N17 | N16 | 175.5° | 179.8° |
| C31 | C33 | N38 | C37 | 177.9° | 179.7° |
| C31 | C33 | C34 | H21 | 1.6° | 0.1° |
| N38 | C33 | C31 | O32 | 42.5° | 172.0° |
| N38 | C33 | C34 | H21 | 175.8° | 179.8° |
| C33 | N38 | C37 | H22 | 177.6° | 179.7° |
| C26 | C27 | C28 | N29 | 170.1° | 162.3° |
| C26 | C27 | C28 | H18 | 119.5° | 119.7° |
| C26 | C27 | C28 | H19 | 119.5° | 119.9° |
| C27 | C26 | H6 | H7 | 115.5° | 120.2° |
| C26 | C27 | H18 | H19 | 121.6° | 120.4° |
| C15 | C21 | N29 | C28 | 178.8° | 179.9° |
| C21 | C15 | N16 | N17 | 178.0° | 180.0° |
| C21 | C15 | N16 | H16 | 2.0° | 0.0° |
| C15 | C21 | N22 | H17 | 2.8° | 0.0° |
| N29 | C21 | C15 | N16 | 1.8° | 180.0° |
| C21 | N29 | C28 | C27 | 178.8° | 179.6° |
| N29 | C21 | N22 | H17 | 178.4° | 179.7° |
| C19 | N17 | N16 | C15 | 3.6° | 0.7° |
| N17 | C19 | C20 | H3 | 1.5° | 0.5° |
| C19 | N17 | N16 | H16 | 176.4° | 179.4° |
| C15 | N16 | N17 | H16 | 180.0° | 179.9° |
| N29 | C28 | C27 | H18 | 50.7° | 42.6° |
| N29 | C28 | C27 | H19 | 70.4° | 77.7° |
| C28 | C27 | C26 | H6 | 83.9° | 74.4° |
| C28 | C27 | C26 | H7 | 158.9° | 165.5° |
| C28 | C27 | H18 | H19 | 121.6° | 120.4° |
| H2 | C13 | C12 | H15 | 1.1° | 0.3° |
| H6 | C26 | C27 | H18 | 35.6° | 45.2° |
| H6 | C26 | C27 | H19 | 156.6° | 165.6° |
| H7 | C26 | C27 | H18 | 81.6° | 74.9° |
| H7 | C26 | C27 | H19 | 39.5° | 45.5° |
| H8 | C1 | H9 | H10 | 120.0° | 120.0° |
| H8 | C1 | C2 | H11 | 59.7° | 62.1° |
| H8 | C1 | C2 | H12 | 59.7° | 177.9° |
| H9 | C1 | C2 | H11 | 179.6° | 177.9° |
| H9 | C1 | C2 | H12 | 60.3° | 57.9° |
| H10 | C1 | C2 | H11 | 60.4° | 57.8° |
| H10 | C1 | C2 | H12 | 179.7° | 62.1° |
| H23 | C40 | C41 | H25 | 95.5° | 59.0° |
| H23 | C40 | C41 | H26 | 23.7° | 179.2° |
| H24 | C40 | C41 | H25 | 23.0° | 60.9° |
| H24 | C40 | C41 | H26 | 142.2° | 59.3° |
| H25 | C41 | C42 | H27 | 32.6° | 57.6° |
| H25 | C41 | C42 | H28 | 153.0° | 62.5° |
| H26 | C41 | C42 | H27 | 86.6° | 177.8° |
| H26 | C41 | C42 | H28 | 33.8° | 57.7° |
| H27 | C42 | C43 | H29 | 73.9° | 57.7° |
| H27 | C42 | C43 | H30 | 47.8° | 177.8° |
| H28 | C42 | C43 | H29 | 165.8° | 62.4° |
| H28 | C42 | C43 | H30 | 72.6° | 57.6° |
| H29 | C43 | C44 | H31 | 175.0° | 60.8° |
| H29 | C43 | C44 | H32 | 55.8° | 59.1° |
| H30 | C43 | C44 | H31 | 53.4° | 59.3° |
| H30 | C43 | C44 | H32 | 65.8° | 179.2° |
