7EC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | O04 | sing | 1.36Å | 1.37Å | |
| O04 | S01 | sing | 1.52Å | 1.67Å | |
| O01 | C09 | sing | 1.47Å | 1.40Å | |
| O01 | C16 | sing | 1.47Å | 1.40Å | |
| O05 | S01 | doub | 1.42Å | 1.46Å | |
| S01 | O06 | doub | 1.42Å | 1.46Å | |
| S01 | C17 | sing | 1.81Å | 1.87Å | |
| C09 | C17 | sing | 1.56Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C16 | C18 | sing | 1.56Å | 1.54Å | |
| C16 | C07 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | doub | 1.38Å | 1.34Å | Aromatic |
| C15 | C10 | sing | 1.40Å | 1.35Å | Aromatic |
| C17 | C18 | sing | 1.55Å | 1.55Å | |
| C08 | C07 | doub | 1.36Å | 1.35Å | |
| C08 | C10 | sing | 1.47Å | 1.35Å | |
| C14 | C13 | sing | 1.39Å | 1.35Å | Aromatic |
| C07 | C04 | sing | 1.47Å | 1.35Å | |
| C10 | C11 | doub | 1.40Å | 1.35Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.35Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.35Å | Aromatic |
| C13 | O02 | sing | 1.36Å | 1.38Å | |
| C13 | C12 | doub | 1.39Å | 1.35Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.34Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.34Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.34Å | Aromatic |
| O02 | C19 | sing | 1.43Å | 1.40Å | |
| C06 | C01 | doub | 1.39Å | 1.34Å | Aromatic |
| C02 | C01 | sing | 1.39Å | 1.34Å | Aromatic |
| C01 | O03 | sing | 1.36Å | 1.36Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | N01 | sing | 1.47Å | 1.46Å | |
| N01 | C25 | sing | 1.47Å | 1.46Å | |
| N01 | C21 | sing | 1.47Å | 1.46Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| O03 | H29 | sing | 0.97Å | 0.95Å | |
| C26 | C1 | sing | 1.39Å | 80.54Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 0.00Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 0.00Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 0.00Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 0.00Å | Aromatic |
| C5 | C26 | doub | 1.39Å | 80.54Å | Aromatic |
| C3 | BR | sing | 1.89Å | 0.00Å | |
| C1 | H18 | sing | 1.08Å | 0.00Å | |
| C2 | H30 | sing | 1.08Å | 0.00Å | |
| C4 | H31 | sing | 1.08Å | 0.00Å | |
| C5 | H32 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | O04 | S01 | 111.9° | 114.0° |
| O04 | C26 | C1 | 132.9° | 120.1° |
| O04 | C26 | C5 | 132.9° | 120.0° |
| O04 | S01 | O05 | 115.8° | 104.3° |
| O04 | S01 | O06 | 116.0° | 104.3° |
| O04 | S01 | C17 | 93.7° | 104.5° |
| C09 | O01 | C16 | 96.4° | 96.9° |
| O01 | C09 | C17 | 102.3° | 101.1° |
| O01 | C09 | C08 | 101.9° | 100.7° |
| O01 | C09 | H5 | 116.1° | 116.6° |
| O01 | C16 | C18 | 102.3° | 101.2° |
| O01 | C16 | C07 | 102.4° | 100.6° |
| O01 | C16 | H10 | 116.0° | 116.8° |
| O05 | S01 | O06 | 121.8° | 121.0° |
| O05 | S01 | C17 | 103.0° | 110.5° |
| O06 | S01 | C17 | 98.3° | 110.6° |
| S01 | C17 | C09 | 117.2° | 110.9° |
| S01 | C17 | C18 | 113.6° | 111.1° |
| S01 | C17 | H11 | 106.3° | 110.8° |
| C17 | C09 | C08 | 107.7° | 105.1° |
| C09 | C17 | C18 | 100.0° | 102.1° |
| C17 | C09 | H5 | 113.7° | 115.6° |
| C09 | C17 | H11 | 109.9° | 110.9° |
| C09 | C08 | C07 | 104.2° | 105.9° |
| C09 | C08 | C10 | 122.2° | 127.0° |
| C08 | C09 | H5 | 113.9° | 115.7° |
| C18 | C16 | C07 | 107.3° | 105.1° |
| C16 | C18 | C17 | 100.4° | 102.0° |
| C18 | C16 | H10 | 113.6° | 115.6° |
| C16 | C18 | H12 | 111.7° | 110.9° |
| C16 | C18 | H13 | 111.7° | 111.0° |
| C16 | C07 | C08 | 103.8° | 105.9° |
| C16 | C07 | C04 | 122.3° | 127.1° |
| C07 | C16 | H10 | 113.8° | 115.5° |
| C14 | C15 | C10 | 122.2° | 119.9° |
| C15 | C14 | C13 | 122.4° | 120.1° |
| C15 | C14 | H8 | 118.8° | 120.0° |
| C14 | C15 | H9 | 118.9° | 120.0° |
| C15 | C10 | C08 | 120.9° | 120.1° |
| C15 | C10 | C11 | 115.6° | 119.8° |
| C10 | C15 | H9 | 118.9° | 120.1° |
| C18 | C17 | H11 | 109.8° | 110.7° |
| C17 | C18 | H12 | 111.7° | 111.1° |
| C17 | C18 | H13 | 111.7° | 110.8° |
| C07 | C08 | C10 | 133.6° | 127.0° |
| C08 | C07 | C04 | 133.9° | 127.0° |
| C08 | C10 | C11 | 123.4° | 120.1° |
| C14 | C13 | O02 | 124.9° | 119.9° |
| C14 | C13 | C12 | 115.3° | 120.2° |
| C13 | C14 | H8 | 118.8° | 119.9° |
| C07 | C04 | C05 | 122.3° | 120.1° |
| C07 | C04 | C03 | 122.4° | 120.1° |
| C10 | C11 | C12 | 121.9° | 119.9° |
| C10 | C11 | H6 | 119.1° | 120.1° |
| C05 | C04 | C03 | 115.3° | 119.8° |
| C04 | C05 | C06 | 122.3° | 119.9° |
| C04 | C05 | H3 | 118.8° | 120.0° |
| C04 | C03 | C02 | 122.6° | 119.9° |
| C04 | C03 | H2 | 118.7° | 120.1° |
| O02 | C13 | C12 | 119.8° | 119.9° |
| C13 | O02 | C19 | 120.5° | 117.0° |
| C13 | C12 | C11 | 122.6° | 120.1° |
| C13 | C12 | H7 | 118.7° | 120.0° |
| C05 | C06 | C01 | 121.5° | 120.1° |
| C06 | C05 | H3 | 118.9° | 120.0° |
| C05 | C06 | H4 | 119.2° | 120.0° |
| C12 | C11 | H6 | 119.0° | 120.0° |
| C11 | C12 | H7 | 118.7° | 120.0° |
| C03 | C02 | C01 | 121.3° | 120.1° |
| C03 | C02 | H1 | 119.4° | 119.9° |
| C02 | C03 | H2 | 118.7° | 120.0° |
| O02 | C19 | C20 | 107.6° | 109.5° |
| O02 | C19 | H14 | 109.9° | 109.5° |
| O02 | C19 | H15 | 109.9° | 109.5° |
| C06 | C01 | C02 | 116.9° | 120.2° |
| C06 | C01 | O03 | 121.3° | 119.9° |
| C01 | C06 | H4 | 119.3° | 119.9° |
| C02 | C01 | O03 | 121.7° | 119.9° |
| C01 | C02 | H1 | 119.4° | 120.0° |
| C01 | O03 | H29 | 109.5° | 114.0° |
| C19 | C20 | N01 | 114.6° | 109.5° |
| C20 | C19 | H14 | 109.9° | 109.5° |
| C20 | C19 | H15 | 109.9° | 109.4° |
| C19 | C20 | H16 | 108.2° | 109.5° |
| C19 | C20 | H17 | 108.2° | 109.5° |
| C20 | N01 | C25 | 112.1° | 111.0° |
| C20 | N01 | C21 | 109.9° | 111.0° |
| N01 | C20 | H16 | 108.2° | 109.4° |
| N01 | C20 | H17 | 108.2° | 109.5° |
| C25 | N01 | C21 | 110.9° | 111.2° |
| N01 | C25 | C24 | 112.3° | 109.5° |
| N01 | C25 | H27 | 108.8° | 109.4° |
| N01 | C25 | H28 | 108.7° | 109.5° |
| N01 | C21 | C22 | 112.4° | 109.5° |
| N01 | C21 | H19 | 108.7° | 109.5° |
| N01 | C21 | H20 | 108.8° | 109.5° |
| C25 | C24 | C23 | 110.6° | 109.3° |
| C25 | C24 | H25 | 109.2° | 109.6° |
| C25 | C24 | H26 | 109.2° | 109.6° |
| C24 | C25 | H27 | 108.8° | 109.5° |
| C24 | C25 | H28 | 108.8° | 109.5° |
| C21 | C22 | C23 | 110.2° | 109.3° |
| C22 | C21 | H19 | 108.8° | 109.5° |
| C22 | C21 | H20 | 108.7° | 109.4° |
| C21 | C22 | H21 | 109.3° | 109.5° |
| C21 | C22 | H22 | 109.2° | 109.5° |
| C24 | C23 | C22 | 108.9° | 109.1° |
| C24 | C23 | H23 | 109.6° | 109.5° |
| C24 | C23 | H24 | 109.6° | 109.5° |
| C23 | C24 | H25 | 109.2° | 109.5° |
| C23 | C24 | H26 | 109.2° | 109.4° |
| C23 | C22 | H21 | 109.3° | 109.5° |
| C23 | C22 | H22 | 109.3° | 109.5° |
| C22 | C23 | H23 | 109.6° | 109.6° |
| C22 | C23 | H24 | 109.6° | 109.5° |
| H12 | C18 | H13 | 109.5° | 110.8° |
| H14 | C19 | H15 | 109.4° | 109.4° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.4° | 109.4° |
| H21 | C22 | H22 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.6° |
| H25 | C24 | H26 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.4° | 109.4° |
| C26 | C1 | C2 | 90.0° | 120.0° |
| C1 | C26 | C5 | 0.0° | 119.9° |
| C26 | C1 | H18 | 90.0° | 120.0° |
| C1 | C2 | C3 | 90.0° | 120.0° |
| C2 | C1 | H18 | 90.0° | 120.0° |
| C1 | C2 | H30 | 90.0° | 120.1° |
| C2 | C3 | C4 | 90.0° | 120.1° |
| C2 | C3 | BR | 90.0° | 119.9° |
| C3 | C2 | H30 | 90.0° | 120.0° |
| C3 | C4 | C5 | 90.0° | 120.1° |
| C4 | C3 | BR | 90.0° | 120.0° |
| C3 | C4 | H31 | 90.0° | 120.0° |
| C4 | C5 | C26 | 90.0° | 119.9° |
| C5 | C4 | H31 | 90.0° | 119.9° |
| C4 | C5 | H32 | 90.0° | 120.0° |
| C26 | C5 | H32 | 90.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | O04 | S01 | O05 | 16.8° | 40.8° |
| C26 | O04 | S01 | O06 | 135.7° | 168.6° |
| C26 | O04 | S01 | C17 | 123.2° | 75.3° |
| O04 | C26 | C1 | C5 | 90.0° | 179.7° |
| O04 | C26 | C1 | C2 | 90.0° | 180.0° |
| O04 | C26 | C5 | C4 | 90.0° | 179.7° |
| O04 | C26 | C1 | H18 | 90.0° | 0.0° |
| O04 | C26 | C5 | H32 | 90.0° | 0.3° |
| O04 | S01 | O05 | O06 | 150.9° | 116.7° |
| O04 | S01 | O05 | C17 | 100.7° | 111.8° |
| O04 | S01 | O06 | C17 | 98.3° | 111.8° |
| O04 | S01 | C17 | C09 | 51.9° | 59.0° |
| O04 | S01 | C17 | C18 | 64.1° | 171.8° |
| O04 | S01 | C17 | H11 | 175.1° | 64.7° |
| S01 | O04 | C26 | C1 | 122.9° | 89.5° |
| S01 | O04 | C26 | C5 | 122.9° | 90.8° |
| O01 | C09 | C17 | S01 | 87.4° | 83.4° |
| O01 | C09 | C17 | C08 | 106.9° | 104.4° |
| O01 | C09 | C17 | H5 | 126.0° | 126.8° |
| O01 | C09 | C08 | H5 | 125.8° | 126.6° |
| C09 | O01 | C16 | C18 | 58.8° | 57.1° |
| C09 | O01 | C16 | C07 | 52.3° | 50.8° |
| O01 | C09 | C17 | C18 | 35.7° | 35.0° |
| O01 | C09 | C08 | C07 | 33.3° | 32.1° |
| O01 | C09 | C08 | C10 | 147.3° | 147.8° |
| C09 | O01 | C16 | H10 | 176.9° | 176.6° |
| O01 | C09 | C17 | H11 | 151.1° | 153.0° |
| C16 | O01 | C09 | C17 | 59.1° | 57.2° |
| C16 | O01 | C09 | C08 | 52.2° | 50.7° |
| O01 | C16 | C18 | C07 | 107.4° | 104.3° |
| O01 | C16 | C18 | H10 | 125.9° | 127.1° |
| O01 | C16 | C07 | H10 | 126.1° | 126.6° |
| O01 | C16 | C18 | C17 | 35.2° | 34.5° |
| O01 | C16 | C07 | C08 | 32.6° | 32.5° |
| O01 | C16 | C07 | C04 | 146.6° | 147.8° |
| C16 | O01 | C09 | H5 | 176.5° | 176.7° |
| O01 | C16 | C18 | H12 | 153.7° | 152.8° |
| O01 | C16 | C18 | H13 | 83.3° | 83.5° |
| O05 | S01 | O06 | C17 | 110.9° | 131.5° |
| O05 | S01 | C17 | C09 | 65.7° | 170.6° |
| O05 | S01 | C17 | C18 | 178.4° | 76.5° |
| O05 | S01 | C17 | H11 | 57.6° | 47.0° |
| O06 | S01 | C17 | C09 | 168.8° | 52.7° |
| O06 | S01 | C17 | C18 | 52.9° | 60.2° |
| O06 | S01 | C17 | H11 | 67.9° | 176.3° |
| S01 | C17 | C09 | C18 | 123.2° | 118.4° |
| S01 | C17 | C09 | H11 | 121.4° | 123.6° |
| S01 | C17 | C09 | C08 | 165.7° | 172.2° |
| S01 | C17 | C18 | C16 | 125.4° | 118.0° |
| S01 | C17 | C18 | H11 | 118.8° | 123.6° |
| S01 | C17 | C09 | H5 | 38.6° | 43.4° |
| S01 | C17 | C18 | H12 | 116.1° | 123.7° |
| S01 | C17 | C18 | H13 | 6.9° | 0.1° |
| C17 | C09 | C08 | H5 | 127.0° | 128.8° |
| C09 | C17 | C18 | C16 | 0.3° | 0.3° |
| C09 | C17 | C18 | H11 | 115.5° | 118.1° |
| C17 | C09 | C08 | C07 | 73.9° | 72.5° |
| C17 | C09 | C08 | C10 | 105.5° | 107.5° |
| C09 | C17 | C18 | H12 | 118.2° | 118.0° |
| C09 | C17 | C18 | H13 | 118.9° | 118.4° |
| C09 | C08 | C07 | C16 | 0.4° | 0.3° |
| C09 | C08 | C10 | C15 | 64.5° | 64.7° |
| C08 | C09 | C17 | C18 | 71.1° | 69.4° |
| C09 | C08 | C07 | C10 | 179.3° | 180.0° |
| C09 | C08 | C07 | C04 | 179.5° | 180.0° |
| C09 | C08 | C10 | C11 | 115.5° | 115.0° |
| C08 | C09 | C17 | H11 | 44.3° | 48.6° |
| C18 | C16 | C07 | H10 | 126.6° | 128.6° |
| C16 | C18 | C17 | H12 | 118.5° | 118.3° |
| C16 | C18 | C17 | H13 | 118.5° | 118.1° |
| C18 | C16 | C07 | C08 | 74.8° | 72.3° |
| C18 | C16 | C07 | C04 | 106.1° | 107.4° |
| C16 | C18 | C17 | H11 | 115.8° | 118.4° |
| C16 | C18 | H12 | H13 | 124.2° | 123.7° |
| C07 | C16 | C18 | C17 | 72.2° | 69.8° |
| C16 | C07 | C08 | C04 | 179.1° | 179.7° |
| C16 | C07 | C08 | C10 | 179.8° | 179.8° |
| C16 | C07 | C04 | C05 | 145.0° | 115.3° |
| C16 | C07 | C04 | C03 | 34.3° | 65.0° |
| C07 | C16 | C18 | H12 | 46.3° | 48.5° |
| C07 | C16 | C18 | H13 | 169.3° | 172.2° |
| C14 | C15 | C10 | H9 | 180.0° | 179.4° |
| C14 | C15 | C10 | C08 | 179.9° | 179.7° |
| C15 | C14 | C13 | H8 | 180.0° | 179.7° |
| C14 | C15 | C10 | C11 | 0.1° | 0.5° |
| C15 | C14 | C13 | O02 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 0.0° | 0.3° |
| C15 | C10 | C08 | C07 | 116.3° | 115.2° |
| C15 | C10 | C08 | C11 | 180.0° | 179.8° |
| C10 | C15 | C14 | C13 | 0.1° | 0.6° |
| C15 | C10 | C11 | C12 | 0.0° | 0.2° |
| C15 | C10 | C11 | H6 | 180.0° | 179.8° |
| C10 | C15 | C14 | H8 | 179.9° | 179.7° |
| C18 | C17 | C09 | H5 | 161.7° | 161.8° |
| C17 | C18 | C16 | H10 | 161.0° | 161.6° |
| C17 | C18 | H12 | H13 | 124.2° | 123.6° |
| C07 | C08 | C10 | C11 | 63.7° | 65.0° |
| C08 | C07 | C04 | C05 | 33.9° | 65.1° |
| C08 | C07 | C04 | C03 | 146.8° | 114.7° |
| C07 | C08 | C09 | H5 | 159.0° | 158.7° |
| C08 | C07 | C16 | H10 | 158.6° | 159.1° |
| C10 | C08 | C07 | C04 | 1.2° | 0.1° |
| C08 | C10 | C11 | C12 | 180.0° | 180.0° |
| C10 | C08 | C09 | H5 | 21.5° | 21.2° |
| C08 | C10 | C11 | H6 | 0.0° | 0.0° |
| C08 | C10 | C15 | H9 | 0.1° | 0.3° |
| C14 | C13 | O02 | C12 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.0° |
| C14 | C13 | O02 | C19 | 170.7° | 0.0° |
| C14 | C13 | C12 | H7 | 179.9° | 180.0° |
| C13 | C14 | C15 | H9 | 179.9° | 180.0° |
| C07 | C04 | C05 | C03 | 179.3° | 179.8° |
| C07 | C04 | C05 | C06 | 179.6° | 180.0° |
| C07 | C04 | C03 | C02 | 179.7° | 179.8° |
| C07 | C04 | C03 | H2 | 0.2° | 0.2° |
| C07 | C04 | C05 | H3 | 0.4° | 0.2° |
| C04 | C07 | C16 | H10 | 20.6° | 21.2° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H6 | 180.0° | 180.0° |
| C10 | C11 | C12 | H7 | 179.9° | 180.0° |
| C11 | C10 | C15 | H9 | 179.9° | 179.9° |
| C04 | C05 | C06 | H3 | 180.0° | 179.8° |
| C05 | C04 | C03 | C02 | 0.4° | 0.0° |
| C04 | C05 | C06 | C01 | 0.0° | 0.5° |
| C05 | C04 | C03 | H2 | 179.6° | 180.0° |
| C04 | C05 | C06 | H4 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.3° | 0.2° |
| C04 | C03 | C02 | H2 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.3° | 0.1° |
| C04 | C03 | C02 | H1 | 179.7° | 180.0° |
| C03 | C04 | C05 | H3 | 179.7° | 179.9° |
| O02 | C13 | C12 | C11 | 180.0° | 180.0° |
| C13 | O02 | C19 | C20 | 163.8° | 180.0° |
| O02 | C13 | C12 | H7 | 0.1° | 0.0° |
| O02 | C13 | C14 | H8 | 0.1° | 0.0° |
| C13 | O02 | C19 | H14 | 76.4° | 60.0° |
| C13 | O02 | C19 | H15 | 44.1° | 60.0° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C12 | C13 | O02 | C19 | 9.3° | 180.0° |
| C13 | C12 | C11 | H6 | 179.9° | 180.0° |
| C12 | C13 | C14 | H8 | 180.0° | 180.0° |
| C05 | C06 | C01 | H4 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.1° | 0.5° |
| C05 | C06 | C01 | O03 | 179.9° | 179.8° |
| C03 | C02 | C01 | C06 | 0.0° | 0.3° |
| C03 | C02 | C01 | H1 | 180.0° | 179.9° |
| C03 | C02 | C01 | O03 | 179.9° | 180.0° |
| O02 | C19 | C20 | H14 | 119.7° | 120.1° |
| O02 | C19 | C20 | H15 | 119.7° | 120.0° |
| O02 | C19 | C20 | N01 | 129.2° | 65.0° |
| O02 | C19 | H14 | H15 | 120.8° | 120.0° |
| O02 | C19 | C20 | H16 | 110.0° | 175.0° |
| O02 | C19 | C20 | H17 | 8.5° | 55.0° |
| C06 | C01 | C02 | O03 | 180.0° | 179.7° |
| C06 | C01 | C02 | H1 | 180.0° | 179.8° |
| C01 | C06 | C05 | H3 | 180.0° | 179.7° |
| C06 | C01 | O03 | H29 | 180.0° | 90.3° |
| C01 | C02 | C03 | H2 | 179.7° | 180.0° |
| C02 | C01 | C06 | H4 | 179.9° | 180.0° |
| C02 | C01 | O03 | H29 | 0.0° | 90.0° |
| O03 | C01 | C02 | H1 | 0.0° | 0.1° |
| O03 | C01 | C06 | H4 | 0.1° | 0.3° |
| C19 | C20 | N01 | H16 | 120.8° | 120.0° |
| C19 | C20 | N01 | H17 | 120.8° | 120.0° |
| C19 | C20 | N01 | C25 | 175.9° | 170.0° |
| C19 | C20 | N01 | C21 | 52.1° | 65.8° |
| C20 | C19 | H14 | H15 | 120.8° | 119.9° |
| C19 | C20 | H16 | H17 | 117.7° | 120.1° |
| C20 | N01 | C25 | C21 | 123.3° | 124.2° |
| C20 | N01 | C25 | C24 | 179.8° | 174.1° |
| C20 | N01 | C21 | C22 | 178.1° | 174.2° |
| N01 | C20 | C19 | H14 | 9.5° | 55.0° |
| N01 | C20 | C19 | H15 | 111.1° | 175.0° |
| N01 | C20 | H16 | H17 | 117.6° | 120.0° |
| C20 | N01 | C21 | H19 | 57.7° | 54.1° |
| C20 | N01 | C21 | H20 | 61.4° | 65.8° |
| C20 | N01 | C25 | H27 | 59.8° | 65.9° |
| C20 | N01 | C25 | H28 | 59.3° | 54.1° |
| N01 | C25 | C24 | H27 | 120.4° | 120.0° |
| N01 | C25 | C24 | H28 | 120.4° | 120.1° |
| C25 | N01 | C21 | C22 | 57.4° | 61.7° |
| N01 | C25 | C24 | C23 | 56.6° | 59.2° |
| C25 | N01 | C20 | H16 | 55.2° | 70.0° |
| C25 | N01 | C20 | H17 | 63.3° | 50.0° |
| C25 | N01 | C21 | H19 | 177.9° | 178.3° |
| C25 | N01 | C21 | H20 | 63.0° | 58.3° |
| N01 | C25 | C24 | H25 | 176.8° | 60.8° |
| N01 | C25 | C24 | H26 | 63.6° | 179.1° |
| N01 | C25 | H27 | H28 | 118.7° | 120.0° |
| C21 | N01 | C25 | C24 | 57.0° | 61.7° |
| N01 | C21 | C22 | H19 | 120.4° | 120.1° |
| N01 | C21 | C22 | H20 | 120.5° | 120.0° |
| N01 | C21 | C22 | C23 | 57.2° | 59.1° |
| C21 | N01 | C20 | H16 | 68.6° | 54.2° |
| C21 | N01 | C20 | H17 | 172.9° | 174.2° |
| N01 | C21 | H19 | H20 | 118.7° | 120.0° |
| N01 | C21 | C22 | H21 | 62.9° | 60.8° |
| N01 | C21 | C22 | H22 | 177.3° | 179.1° |
| C21 | N01 | C25 | H27 | 63.5° | 58.3° |
| C21 | N01 | C25 | H28 | 177.4° | 178.2° |
| C25 | C24 | C23 | H25 | 120.2° | 120.0° |
| C25 | C24 | C23 | H26 | 120.2° | 120.0° |
| C25 | C24 | C23 | C22 | 54.9° | 57.6° |
| C25 | C24 | C23 | H23 | 65.0° | 177.6° |
| C25 | C24 | C23 | H24 | 174.8° | 62.3° |
| C25 | C24 | H25 | H26 | 119.5° | 120.2° |
| C24 | C25 | H27 | H28 | 118.7° | 120.0° |
| C21 | C22 | C23 | C24 | 55.1° | 57.6° |
| C21 | C22 | C23 | H21 | 120.1° | 119.9° |
| C21 | C22 | C23 | H22 | 120.1° | 120.0° |
| C22 | C21 | H19 | H20 | 118.7° | 119.9° |
| C21 | C22 | H21 | H22 | 119.6° | 120.1° |
| C21 | C22 | C23 | H23 | 64.8° | 177.5° |
| C21 | C22 | C23 | H24 | 175.0° | 62.3° |
| C24 | C23 | C22 | H23 | 119.9° | 119.9° |
| C24 | C23 | C22 | H24 | 119.9° | 119.9° |
| C24 | C23 | C22 | H21 | 65.1° | 62.3° |
| C24 | C23 | C22 | H22 | 175.1° | 177.6° |
| C24 | C23 | H23 | H24 | 120.2° | 120.1° |
| C23 | C24 | H25 | H26 | 119.5° | 120.0° |
| C23 | C24 | C25 | H27 | 63.8° | 60.8° |
| C23 | C24 | C25 | H28 | 177.0° | 179.2° |
| C23 | C22 | C21 | H19 | 177.6° | 179.2° |
| C23 | C22 | C21 | H20 | 63.3° | 60.9° |
| C23 | C22 | H21 | H22 | 119.7° | 120.1° |
| C22 | C23 | H23 | H24 | 120.2° | 120.2° |
| C22 | C23 | C24 | H25 | 175.1° | 62.3° |
| C22 | C23 | C24 | H26 | 65.3° | 177.6° |
| H1 | C02 | C03 | H2 | 0.3° | 0.1° |
| H3 | C05 | C06 | H4 | 0.0° | 0.2° |
| H5 | C09 | C17 | H11 | 82.9° | 80.3° |
| H6 | C11 | C12 | H7 | 0.1° | 0.0° |
| H8 | C14 | C15 | H9 | 0.1° | 0.3° |
| H10 | C16 | C18 | H12 | 80.4° | 80.0° |
| H10 | C16 | C18 | H13 | 42.5° | 43.6° |
| H11 | C17 | C18 | H12 | 2.7° | 0.1° |
| H11 | C17 | C18 | H13 | 125.7° | 123.5° |
| H14 | C19 | C20 | H16 | 130.2° | 64.9° |
| H14 | C19 | C20 | H17 | 111.3° | 175.0° |
| H15 | C19 | C20 | H16 | 9.7° | 55.0° |
| H15 | C19 | C20 | H17 | 128.2° | 65.0° |
| H19 | C21 | C22 | H21 | 57.5° | 59.2° |
| H19 | C21 | C22 | H22 | 62.3° | 60.8° |
| H20 | C21 | C22 | H21 | 176.6° | 179.2° |
| H20 | C21 | C22 | H22 | 56.8° | 59.1° |
| H21 | C22 | C23 | H23 | 175.0° | 57.6° |
| H21 | C22 | C23 | H24 | 54.9° | 177.8° |
| H22 | C22 | C23 | H23 | 55.2° | 62.5° |
| H22 | C22 | C23 | H24 | 64.9° | 57.7° |
| H23 | C23 | C24 | H25 | 55.2° | 57.6° |
| H23 | C23 | C24 | H26 | 174.8° | 62.5° |
| H24 | C23 | C24 | H25 | 65.0° | 177.7° |
| H24 | C23 | C24 | H26 | 54.7° | 57.7° |
| H25 | C24 | C25 | H27 | 56.3° | 179.3° |
| H25 | C24 | C25 | H28 | 62.8° | 59.3° |
| H26 | C24 | C25 | H27 | 176.0° | 59.1° |
| H26 | C24 | C25 | H28 | 56.9° | 60.9° |
| C26 | C1 | C2 | H18 | 90.0° | 180.0° |
| C26 | C1 | C2 | C3 | 90.0° | 0.0° |
| C1 | C26 | C5 | C4 | 90.0° | 0.6° |
| C26 | C1 | C2 | H30 | 90.0° | 180.0° |
| C1 | C26 | C5 | H32 | 90.0° | 180.0° |
| C1 | C2 | C3 | H30 | 90.0° | 180.0° |
| C1 | C2 | C3 | C4 | 90.0° | 0.0° |
| C2 | C1 | C26 | C5 | 90.0° | 0.3° |
| C1 | C2 | C3 | BR | 90.0° | 179.9° |
| C2 | C3 | C4 | BR | 90.0° | 179.9° |
| C2 | C3 | C4 | C5 | 90.0° | 0.3° |
| C3 | C2 | C1 | H18 | 90.0° | 180.0° |
| C2 | C3 | C4 | H31 | 90.0° | 180.0° |
| C3 | C4 | C5 | H31 | 90.0° | 179.8° |
| C3 | C4 | C5 | C26 | 90.0° | 0.6° |
| C4 | C3 | C2 | H30 | 90.0° | 180.0° |
| C3 | C4 | C5 | H32 | 90.0° | 180.0° |
| C4 | C5 | C26 | H32 | 90.0° | 179.5° |
| C5 | C4 | C3 | BR | 90.0° | 179.8° |
| C5 | C26 | C1 | H18 | 90.0° | 179.7° |
| C26 | C5 | C4 | H31 | 90.0° | 179.7° |
| BR | C3 | C2 | H30 | 90.0° | 0.1° |
| BR | C3 | C4 | H31 | 90.0° | 0.1° |
| H18 | C1 | C2 | H30 | 90.0° | 0.1° |
| H31 | C4 | C5 | H32 | 90.0° | 0.2° |
