7M4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C28 | sing | 1.89Å | 1.89Å | |
| C27 | C28 | doub | 1.38Å | 1.34Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.34Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.34Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.35Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.34Å | Aromatic |
| C25 | C30 | sing | 1.39Å | 1.35Å | Aromatic |
| C25 | O04 | sing | 1.36Å | 1.38Å | |
| O07 | S01 | doub | 1.42Å | 1.46Å | |
| O04 | S01 | sing | 1.52Å | 1.67Å | |
| S01 | O06 | doub | 1.42Å | 1.46Å | |
| S01 | C03 | sing | 1.81Å | 1.87Å | |
| C03 | C04 | sing | 1.55Å | 1.56Å | |
| C03 | C02 | sing | 1.56Å | 1.54Å | |
| C04 | C06 | sing | 1.56Å | 1.58Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C02 | O05 | sing | 1.47Å | 1.40Å | |
| C19 | C11 | sing | 1.48Å | 1.35Å | |
| C11 | C10 | doub | 1.40Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.35Å | Aromatic |
| C10 | C09 | sing | 1.37Å | 1.34Å | Aromatic |
| C12 | C13 | doub | 1.37Å | 1.35Å | Aromatic |
| C09 | C07 | doub | 1.40Å | 1.35Å | Aromatic |
| C13 | C07 | sing | 1.40Å | 1.35Å | Aromatic |
| C07 | C01 | sing | 1.47Å | 1.35Å | |
| C01 | C05 | doub | 1.36Å | 1.36Å | |
| C06 | O05 | sing | 1.47Å | 1.43Å | |
| C06 | C05 | sing | 1.53Å | 1.56Å | |
| C05 | C08 | sing | 1.47Å | 1.35Å | |
| C08 | C18 | doub | 1.40Å | 1.35Å | Aromatic |
| C08 | C14 | sing | 1.40Å | 1.35Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.34Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.34Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.34Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.34Å | Aromatic |
| C16 | O01 | sing | 1.36Å | 1.36Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| O01 | H16 | sing | 0.97Å | 0.95Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | C1 | doub | 1.33Å | 52.43Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C2 | C3 | sing | 1.53Å | 0.00Å | |
| C3 | C4 | sing | 1.53Å | 0.00Å | |
| C4 | C5 | sing | 1.51Å | 0.00Å | |
| C5 | O1 | doub | 1.21Å | 0.00Å | |
| C5 | O2 | sing | 1.34Å | 0.00Å | |
| C1 | H18 | sing | 1.08Å | 0.00Å | |
| C2 | H19 | sing | 1.09Å | 0.00Å | |
| C2 | H24 | sing | 1.09Å | 0.00Å | |
| C3 | H25 | sing | 1.09Å | 0.00Å | |
| C3 | H26 | sing | 1.09Å | 0.00Å | |
| C4 | H27 | sing | 1.09Å | 0.00Å | |
| C4 | H28 | sing | 1.09Å | 0.00Å | |
| O2 | H29 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C28 | C27 | 120.2° | 120.0° |
| BR1 | C28 | C29 | 120.3° | 120.0° |
| C28 | C27 | C26 | 119.7° | 120.1° |
| C27 | C28 | C29 | 119.5° | 120.1° |
| C28 | C27 | H21 | 120.2° | 119.9° |
| C27 | C26 | C25 | 122.5° | 119.9° |
| C27 | C26 | H20 | 118.8° | 120.0° |
| C26 | C27 | H21 | 120.1° | 120.0° |
| C28 | C29 | C30 | 119.5° | 120.1° |
| C28 | C29 | H22 | 120.2° | 120.0° |
| C26 | C25 | C30 | 116.1° | 119.9° |
| C26 | C25 | O04 | 122.5° | 120.1° |
| C25 | C26 | H20 | 118.7° | 120.0° |
| C29 | C30 | C25 | 122.7° | 119.9° |
| C30 | C29 | H22 | 120.3° | 119.9° |
| C29 | C30 | H23 | 118.7° | 120.1° |
| C30 | C25 | O04 | 121.4° | 120.0° |
| C25 | C30 | H23 | 118.7° | 120.0° |
| C25 | O04 | S01 | 119.4° | 114.0° |
| O07 | S01 | O04 | 119.9° | 104.3° |
| O07 | S01 | O06 | 120.3° | 121.1° |
| O07 | S01 | C03 | 97.4° | 110.5° |
| O04 | S01 | O06 | 116.2° | 104.3° |
| O04 | S01 | C03 | 92.7° | 104.4° |
| O06 | S01 | C03 | 98.9° | 110.5° |
| S01 | C03 | C04 | 112.7° | 111.0° |
| S01 | C03 | C02 | 122.3° | 110.9° |
| S01 | C03 | H3 | 105.1° | 110.8° |
| C04 | C03 | C02 | 99.4° | 102.0° |
| C03 | C04 | C06 | 103.9° | 101.9° |
| C04 | C03 | H3 | 108.3° | 111.0° |
| C03 | C04 | H4 | 110.9° | 110.9° |
| C03 | C04 | H5 | 110.9° | 110.9° |
| C03 | C02 | C01 | 119.7° | 105.1° |
| C03 | C02 | O05 | 97.3° | 101.1° |
| C03 | C02 | H2 | 112.3° | 116.2° |
| C02 | C03 | H3 | 108.5° | 110.9° |
| C04 | C06 | O05 | 90.9° | 101.1° |
| C04 | C06 | C05 | 128.6° | 105.2° |
| C06 | C04 | H4 | 110.8° | 111.0° |
| C06 | C04 | H5 | 110.8° | 111.0° |
| C04 | C06 | H7 | 113.2° | 115.6° |
| C01 | C02 | O05 | 98.5° | 100.7° |
| C02 | C01 | C07 | 121.1° | 127.0° |
| C02 | C01 | C05 | 102.2° | 106.0° |
| C01 | C02 | H2 | 112.6° | 115.6° |
| C02 | O05 | C06 | 101.2° | 97.0° |
| O05 | C02 | H2 | 114.6° | 116.0° |
| C19 | C11 | C10 | 118.6° | 119.9° |
| C19 | C11 | C12 | 124.8° | 120.0° |
| C11 | C19 | H17 | 143.2° | 120.0° |
| C11 | C19 | C1 | 73.7° | 120.0° |
| C10 | C11 | C12 | 116.5° | 120.1° |
| C11 | C10 | C09 | 121.7° | 120.0° |
| C11 | C10 | H9 | 119.2° | 120.0° |
| C11 | C12 | C13 | 121.5° | 120.0° |
| C11 | C12 | H10 | 119.2° | 120.0° |
| C10 | C09 | C07 | 122.3° | 120.0° |
| C10 | C09 | H8 | 118.9° | 120.0° |
| C09 | C10 | H9 | 119.2° | 120.0° |
| C12 | C13 | C07 | 122.2° | 120.0° |
| C13 | C12 | H10 | 119.2° | 120.0° |
| C12 | C13 | H11 | 118.9° | 120.0° |
| C09 | C07 | C13 | 115.9° | 120.0° |
| C09 | C07 | C01 | 121.0° | 120.0° |
| C07 | C09 | H8 | 118.9° | 120.0° |
| C13 | C07 | C01 | 123.2° | 120.0° |
| C07 | C13 | H11 | 118.9° | 120.0° |
| C07 | C01 | C05 | 131.8° | 127.0° |
| C01 | C05 | C06 | 106.5° | 105.9° |
| C01 | C05 | C08 | 133.1° | 127.1° |
| O05 | C06 | C05 | 87.3° | 100.7° |
| O05 | C06 | H7 | 115.8° | 115.9° |
| C06 | C05 | C08 | 116.4° | 127.0° |
| C05 | C06 | H7 | 113.5° | 116.2° |
| C05 | C08 | C18 | 118.1° | 120.1° |
| C05 | C08 | C14 | 125.9° | 120.1° |
| C18 | C08 | C14 | 116.0° | 119.8° |
| C08 | C18 | C17 | 122.4° | 119.9° |
| C08 | C18 | H15 | 118.8° | 120.1° |
| C08 | C14 | C15 | 121.8° | 119.9° |
| C08 | C14 | H12 | 119.1° | 120.1° |
| C18 | C17 | C16 | 121.1° | 120.1° |
| C18 | C17 | H14 | 119.4° | 119.9° |
| C17 | C18 | H15 | 118.8° | 120.0° |
| C14 | C15 | C16 | 121.4° | 120.1° |
| C15 | C14 | H12 | 119.1° | 120.1° |
| C14 | C15 | H13 | 119.3° | 119.9° |
| C17 | C16 | C15 | 117.3° | 120.2° |
| C17 | C16 | O01 | 120.5° | 119.9° |
| C16 | C17 | H14 | 119.5° | 120.0° |
| C15 | C16 | O01 | 122.2° | 119.9° |
| C16 | C15 | H13 | 119.3° | 119.9° |
| C16 | O01 | H16 | 109.5° | 114.0° |
| H4 | C04 | H5 | 109.5° | 110.9° |
| H17 | C19 | C1 | 143.2° | 120.0° |
| C19 | C1 | C2 | 90.0° | 120.0° |
| C19 | C1 | H18 | 90.0° | 120.0° |
| C1 | C2 | C3 | 90.0° | 109.5° |
| C2 | C1 | H18 | 90.0° | 120.0° |
| C1 | C2 | H19 | 90.0° | 109.5° |
| C1 | C2 | H24 | 90.0° | 109.5° |
| C2 | C3 | C4 | 90.0° | 109.5° |
| C3 | C2 | H19 | 90.0° | 109.4° |
| C3 | C2 | H24 | 90.0° | 109.5° |
| C2 | C3 | H25 | 90.0° | 109.5° |
| C2 | C3 | H26 | 90.0° | 109.5° |
| C3 | C4 | C5 | 90.0° | 109.4° |
| C4 | C3 | H25 | 90.0° | 109.5° |
| C4 | C3 | H26 | 90.0° | 109.5° |
| C3 | C4 | H27 | 90.0° | 109.5° |
| C3 | C4 | H28 | 90.0° | 109.5° |
| C4 | C5 | O1 | 90.0° | 120.0° |
| C4 | C5 | O2 | 90.0° | 120.0° |
| C5 | C4 | H27 | 90.0° | 109.4° |
| C5 | C4 | H28 | 90.0° | 109.5° |
| O1 | C5 | O2 | 90.0° | 119.9° |
| C5 | O2 | H29 | 90.0° | 117.0° |
| H19 | C2 | H24 | 90.0° | 109.5° |
| H25 | C3 | H26 | 90.0° | 109.4° |
| H27 | C4 | H28 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C28 | C27 | C29 | 179.9° | 180.0° |
| BR1 | C28 | C27 | C26 | 179.6° | 180.0° |
| BR1 | C28 | C29 | C30 | 179.9° | 180.0° |
| BR1 | C28 | C27 | H21 | 0.4° | 0.0° |
| BR1 | C28 | C29 | H22 | 0.0° | 0.0° |
| C28 | C27 | C26 | H21 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 1.0° | 0.0° |
| C27 | C28 | C29 | C30 | 0.2° | 0.1° |
| C28 | C27 | C26 | H20 | 179.0° | 179.9° |
| C27 | C28 | C29 | H22 | 179.8° | 180.0° |
| C26 | C27 | C28 | C29 | 0.5° | 0.0° |
| C27 | C26 | C25 | H20 | 180.0° | 179.9° |
| C27 | C26 | C25 | C30 | 1.0° | 0.0° |
| C27 | C26 | C25 | O04 | 179.9° | 179.8° |
| C28 | C29 | C30 | H22 | 180.0° | 180.0° |
| C28 | C29 | C30 | C25 | 0.2° | 0.1° |
| C29 | C28 | C27 | H21 | 179.5° | 179.9° |
| C28 | C29 | C30 | H23 | 179.8° | 179.7° |
| C26 | C25 | C30 | C29 | 0.6° | 0.0° |
| C26 | C25 | C30 | O04 | 179.1° | 179.8° |
| C26 | C25 | O04 | S01 | 24.5° | 89.7° |
| C25 | C26 | C27 | H21 | 179.0° | 180.0° |
| C26 | C25 | C30 | H23 | 179.4° | 179.7° |
| C29 | C30 | C25 | H23 | 180.0° | 179.7° |
| C29 | C30 | C25 | O04 | 179.7° | 179.8° |
| C30 | C25 | O04 | S01 | 156.4° | 90.0° |
| C30 | C25 | C26 | H20 | 179.0° | 179.9° |
| C25 | C30 | C29 | H22 | 179.8° | 180.0° |
| C25 | O04 | S01 | O07 | 12.5° | 169.0° |
| C25 | O04 | S01 | O06 | 146.1° | 41.1° |
| C25 | O04 | S01 | C03 | 112.6° | 75.0° |
| O04 | C25 | C26 | H20 | 0.1° | 0.3° |
| O04 | C25 | C30 | H23 | 0.3° | 0.1° |
| O07 | S01 | O04 | O06 | 158.6° | 127.9° |
| O07 | S01 | O04 | C03 | 100.2° | 116.0° |
| O07 | S01 | O06 | C03 | 104.0° | 131.6° |
| O07 | S01 | C03 | C04 | 66.4° | 50.6° |
| O07 | S01 | C03 | C02 | 175.3° | 62.0° |
| O07 | S01 | C03 | H3 | 51.4° | 174.4° |
| O04 | S01 | O06 | C03 | 97.5° | 111.7° |
| O04 | S01 | C03 | C04 | 173.0° | 61.0° |
| O04 | S01 | C03 | C02 | 54.7° | 173.6° |
| O04 | S01 | C03 | H3 | 69.2° | 62.8° |
| O06 | S01 | C03 | C04 | 56.0° | 172.6° |
| O06 | S01 | C03 | C02 | 62.3° | 74.8° |
| O06 | S01 | C03 | H3 | 173.7° | 48.8° |
| S01 | C03 | C04 | C02 | 131.0° | 118.2° |
| S01 | C03 | C04 | H3 | 115.8° | 123.7° |
| S01 | C03 | C02 | H3 | 122.4° | 123.6° |
| S01 | C03 | C04 | C06 | 126.5° | 118.1° |
| S01 | C03 | C02 | C01 | 53.7° | 48.5° |
| S01 | C03 | C02 | O05 | 157.9° | 152.9° |
| S01 | C03 | C02 | H2 | 81.7° | 80.7° |
| S01 | C03 | C04 | H4 | 114.3° | 123.7° |
| S01 | C03 | C04 | H5 | 7.4° | 0.0° |
| C04 | C03 | C02 | H3 | 113.0° | 118.2° |
| C03 | C04 | C06 | H4 | 119.1° | 118.2° |
| C03 | C04 | C06 | H5 | 119.1° | 118.1° |
| C04 | C03 | C02 | C01 | 70.9° | 69.6° |
| C04 | C03 | C02 | O05 | 33.3° | 34.7° |
| C03 | C04 | C06 | O05 | 39.4° | 34.8° |
| C03 | C04 | C06 | C05 | 47.9° | 69.7° |
| C04 | C03 | C02 | H2 | 153.7° | 161.2° |
| C03 | C04 | H4 | H5 | 122.6° | 123.7° |
| C03 | C04 | C06 | H7 | 158.0° | 160.8° |
| C02 | C03 | C04 | C06 | 4.5° | 0.0° |
| C03 | C02 | C01 | O05 | 103.5° | 104.7° |
| C03 | C02 | C01 | H2 | 135.2° | 129.5° |
| C03 | C02 | O05 | H2 | 118.6° | 126.6° |
| C03 | C02 | C01 | C07 | 117.3° | 107.2° |
| C03 | C02 | C01 | C05 | 84.8° | 72.5° |
| C03 | C02 | O05 | C06 | 66.1° | 57.3° |
| C02 | C03 | C04 | H4 | 114.6° | 118.2° |
| C02 | C03 | C04 | H5 | 123.6° | 118.2° |
| C04 | C06 | O05 | C02 | 65.5° | 57.3° |
| C04 | C06 | C05 | C01 | 38.1° | 72.5° |
| C04 | C06 | O05 | C05 | 128.6° | 107.9° |
| C04 | C06 | O05 | H7 | 116.4° | 125.8° |
| C04 | C06 | C05 | H7 | 154.0° | 129.2° |
| C04 | C06 | C05 | C08 | 161.3° | 107.4° |
| C06 | C04 | C03 | H3 | 117.6° | 118.2° |
| C06 | C04 | H4 | H5 | 122.5° | 123.8° |
| C01 | C02 | O05 | H2 | 119.7° | 125.6° |
| C02 | C01 | C07 | C09 | 17.8° | 53.9° |
| C02 | C01 | C07 | C13 | 162.3° | 125.7° |
| C02 | C01 | C07 | C05 | 150.6° | 179.7° |
| C01 | C02 | O05 | C06 | 55.5° | 50.6° |
| C02 | C01 | C05 | C06 | 20.6° | 0.0° |
| C02 | C01 | C05 | C08 | 135.3° | 180.0° |
| C01 | C02 | C03 | H3 | 176.1° | 172.2° |
| O05 | C02 | C01 | C07 | 139.2° | 148.1° |
| O05 | C02 | C01 | C05 | 18.8° | 32.1° |
| C02 | O05 | C06 | C05 | 63.1° | 50.6° |
| O05 | C02 | C03 | H3 | 79.7° | 83.5° |
| C02 | O05 | C06 | H7 | 178.0° | 176.9° |
| C19 | C11 | C10 | C12 | 179.9° | 179.9° |
| C19 | C11 | C10 | C09 | 180.0° | 180.0° |
| C19 | C11 | C12 | C13 | 180.0° | 179.7° |
| C19 | C11 | C10 | H9 | 0.0° | 0.0° |
| C19 | C11 | C12 | H10 | 0.1° | 0.1° |
| C11 | C19 | H17 | C1 | 179.9° | 180.0° |
| C11 | C19 | C1 | C2 | 90.0° | 180.0° |
| C11 | C19 | C1 | H18 | 90.0° | 0.0° |
| C11 | C10 | C09 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.4° |
| C11 | C10 | C09 | C07 | 0.1° | 0.0° |
| C11 | C10 | C09 | H8 | 179.9° | 180.0° |
| C10 | C11 | C12 | H10 | 179.9° | 180.0° |
| C10 | C11 | C19 | H17 | 79.9° | 0.0° |
| C10 | C11 | C19 | C1 | 100.1° | 180.0° |
| C12 | C11 | C10 | C09 | 0.1° | 0.1° |
| C11 | C12 | C13 | H10 | 180.0° | 179.6° |
| C11 | C12 | C13 | C07 | 0.1° | 0.6° |
| C12 | C11 | C10 | H9 | 179.9° | 180.0° |
| C11 | C12 | C13 | H11 | 179.9° | 180.0° |
| C12 | C11 | C19 | H17 | 100.3° | 180.0° |
| C12 | C11 | C19 | C1 | 79.8° | 0.0° |
| C10 | C09 | C07 | H8 | 180.0° | 179.9° |
| C10 | C09 | C07 | C13 | 0.1° | 0.3° |
| C10 | C09 | C07 | C01 | 180.0° | 180.0° |
| C12 | C13 | C07 | C09 | 0.1° | 0.6° |
| C12 | C13 | C07 | H11 | 180.0° | 179.4° |
| C12 | C13 | C07 | C01 | 180.0° | 179.7° |
| C09 | C07 | C13 | C01 | 179.9° | 179.7° |
| C09 | C07 | C01 | C05 | 132.8° | 125.8° |
| C07 | C09 | C10 | H9 | 179.9° | 180.0° |
| C09 | C07 | C13 | H11 | 179.9° | 180.0° |
| C13 | C07 | C01 | C05 | 47.1° | 54.5° |
| C13 | C07 | C09 | H8 | 179.9° | 179.8° |
| C07 | C13 | C12 | H10 | 179.9° | 179.7° |
| C07 | C01 | C05 | C06 | 175.1° | 179.7° |
| C07 | C01 | C05 | C08 | 19.2° | 0.2° |
| C07 | C01 | C02 | H2 | 18.0° | 22.3° |
| C01 | C07 | C09 | H8 | 0.0° | 0.1° |
| C01 | C07 | C13 | H11 | 0.0° | 0.3° |
| C01 | C05 | C06 | O05 | 50.9° | 32.2° |
| C01 | C05 | C06 | C08 | 160.5° | 180.0° |
| C01 | C05 | C08 | C18 | 162.3° | 65.0° |
| C01 | C05 | C08 | C14 | 18.9° | 114.7° |
| C05 | C01 | C02 | H2 | 140.0° | 157.9° |
| C01 | C05 | C06 | H7 | 167.9° | 158.3° |
| O05 | C06 | C05 | H7 | 117.0° | 126.1° |
| O05 | C06 | C05 | C08 | 109.7° | 147.8° |
| C06 | O05 | C02 | H2 | 175.3° | 176.1° |
| O05 | C06 | C04 | H4 | 79.8° | 83.4° |
| O05 | C06 | C04 | H5 | 158.5° | 152.9° |
| C06 | C05 | C08 | C18 | 43.7° | 115.0° |
| C06 | C05 | C08 | C14 | 135.1° | 65.3° |
| C05 | C06 | C04 | H4 | 167.0° | 172.2° |
| C05 | C06 | C04 | H5 | 71.2° | 48.5° |
| C05 | C08 | C18 | C14 | 178.9° | 179.7° |
| C05 | C08 | C18 | C17 | 179.5° | 179.8° |
| C05 | C08 | C14 | C15 | 179.4° | 179.9° |
| C08 | C05 | C06 | H7 | 7.3° | 21.7° |
| C05 | C08 | C14 | H12 | 0.6° | 0.0° |
| C05 | C08 | C18 | H15 | 0.5° | 0.0° |
| C08 | C18 | C17 | H15 | 180.0° | 179.7° |
| C18 | C08 | C14 | C15 | 0.6° | 0.2° |
| C08 | C18 | C17 | C16 | 0.3° | 0.6° |
| C18 | C08 | C14 | H12 | 179.4° | 179.7° |
| C08 | C18 | C17 | H14 | 179.7° | 179.7° |
| C14 | C08 | C18 | C17 | 0.6° | 0.6° |
| C08 | C14 | C15 | H12 | 180.0° | 179.9° |
| C08 | C14 | C15 | C16 | 0.3° | 0.0° |
| C08 | C14 | C15 | H13 | 179.6° | 180.0° |
| C14 | C08 | C18 | H15 | 179.4° | 179.7° |
| C18 | C17 | C16 | H14 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 0.0° | 0.3° |
| C18 | C17 | C16 | O01 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C14 | C15 | C16 | H13 | 180.0° | 179.9° |
| C14 | C15 | C16 | O01 | 180.0° | 179.9° |
| C17 | C16 | C15 | O01 | 180.0° | 180.0° |
| C17 | C16 | C15 | H13 | 179.9° | 179.9° |
| C16 | C17 | C18 | H15 | 179.7° | 179.7° |
| C17 | C16 | O01 | H16 | 180.0° | 90.0° |
| C16 | C15 | C14 | H12 | 179.7° | 180.0° |
| C15 | C16 | C17 | H14 | 180.0° | 180.0° |
| C15 | C16 | O01 | H16 | 0.0° | 90.0° |
| O01 | C16 | C15 | H13 | 0.0° | 0.0° |
| O01 | C16 | C17 | H14 | 0.0° | 0.1° |
| H2 | C02 | C03 | H3 | 40.7° | 43.0° |
| H3 | C03 | C04 | H4 | 1.5° | 0.0° |
| H3 | C03 | C04 | H5 | 123.3° | 123.7° |
| H4 | C04 | C06 | H7 | 38.9° | 42.6° |
| H5 | C04 | C06 | H7 | 82.8° | 81.1° |
| H8 | C09 | C10 | H9 | 0.1° | 0.1° |
| H10 | C12 | C13 | H11 | 0.1° | 0.3° |
| H12 | C14 | C15 | H13 | 0.3° | 0.1° |
| H14 | C17 | C18 | H15 | 0.3° | 0.0° |
| H17 | C19 | C1 | C2 | 90.0° | 0.0° |
| H17 | C19 | C1 | H18 | 90.0° | 180.0° |
| H20 | C26 | C27 | H21 | 1.0° | 0.0° |
| H22 | C29 | C30 | H23 | 0.2° | 0.3° |
| C19 | C1 | C2 | H18 | 90.0° | 180.0° |
| C19 | C1 | C2 | C3 | 90.0° | 125.0° |
| C19 | C1 | C2 | H19 | 90.0° | 115.1° |
| C19 | C1 | C2 | H24 | 90.0° | 5.0° |
| C1 | C2 | C3 | H19 | 90.0° | 120.0° |
| C1 | C2 | C3 | H24 | 90.0° | 120.0° |
| C1 | C2 | C3 | C4 | 90.0° | 180.0° |
| C1 | C2 | H19 | H24 | 90.0° | 120.0° |
| C1 | C2 | C3 | H25 | 90.0° | 60.0° |
| C1 | C2 | C3 | H26 | 90.0° | 60.0° |
| C2 | C3 | C4 | H25 | 90.0° | 120.0° |
| C2 | C3 | C4 | H26 | 90.0° | 120.0° |
| C2 | C3 | C4 | C5 | 90.0° | 180.0° |
| C3 | C2 | C1 | H18 | 90.0° | 55.0° |
| C3 | C2 | H19 | H24 | 90.0° | 120.0° |
| C2 | C3 | H25 | H26 | 90.0° | 120.0° |
| C2 | C3 | C4 | H27 | 90.0° | 60.1° |
| C2 | C3 | C4 | H28 | 90.0° | 60.0° |
| C3 | C4 | C5 | H27 | 90.0° | 120.0° |
| C3 | C4 | C5 | H28 | 90.0° | 120.0° |
| C3 | C4 | C5 | O1 | 90.0° | 0.0° |
| C3 | C4 | C5 | O2 | 90.0° | 180.0° |
| C4 | C3 | C2 | H19 | 90.0° | 60.0° |
| C4 | C3 | C2 | H24 | 90.0° | 60.0° |
| C4 | C3 | H25 | H26 | 90.0° | 120.0° |
| C3 | C4 | H27 | H28 | 90.0° | 120.1° |
| C4 | C5 | O1 | O2 | 90.0° | 180.0° |
| C5 | C4 | C3 | H25 | 90.0° | 60.0° |
| C5 | C4 | C3 | H26 | 90.0° | 60.0° |
| C5 | C4 | H27 | H28 | 90.0° | 120.0° |
| C4 | C5 | O2 | H29 | 90.0° | 180.0° |
| O1 | C5 | C4 | H27 | 90.0° | 120.0° |
| O1 | C5 | C4 | H28 | 90.0° | 120.0° |
| O1 | C5 | O2 | H29 | 90.0° | 0.0° |
| O2 | C5 | C4 | H27 | 90.0° | 60.0° |
| O2 | C5 | C4 | H28 | 90.0° | 60.0° |
| H18 | C1 | C2 | H19 | 90.0° | 64.9° |
| H18 | C1 | C2 | H24 | 90.0° | 175.0° |
| H19 | C2 | C3 | H25 | 90.0° | 179.9° |
| H19 | C2 | C3 | H26 | 90.0° | 60.0° |
| H24 | C2 | C3 | H25 | 90.0° | 60.0° |
| H24 | C2 | C3 | H26 | 90.0° | 180.0° |
| H25 | C3 | C4 | H27 | 90.0° | 179.9° |
| H25 | C3 | C4 | H28 | 90.0° | 60.0° |
| H26 | C3 | C4 | H27 | 90.0° | 59.9° |
| H26 | C3 | C4 | H28 | 90.0° | 180.0° |
