J1E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | N01 | doub | 1.29Å | 1.29Å | Aromatic |
| N02 | N03 | sing | 1.29Å | 1.33Å | Aromatic |
| O04 | C12 | sing | 1.43Å | 1.41Å | |
| N01 | C07 | sing | 1.34Å | 1.40Å | Aromatic |
| N03 | C11 | sing | 1.47Å | 1.35Å | |
| N03 | C08 | sing | 1.35Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.47Å | |
| C11 | C10 | sing | 1.53Å | 1.49Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | S01 | sing | 1.81Å | 1.83Å | |
| C13 | O01 | sing | 1.43Å | 1.41Å | |
| C15 | S01 | sing | 1.81Å | 1.79Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C09 | O01 | sing | 1.43Å | 1.41Å | |
| C09 | C14 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.56Å | |
| C17 | N04 | sing | 1.47Å | 1.46Å | |
| C10 | O02 | sing | 1.43Å | 1.42Å | |
| C07 | C08 | doub | 1.36Å | 1.37Å | Aromatic |
| C07 | C02 | sing | 1.48Å | 1.44Å | |
| C03 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| O03 | C14 | sing | 1.43Å | 1.42Å | |
| C16 | O05 | sing | 1.43Å | 1.45Å | |
| N05 | N04 | sing | 1.29Å | 1.37Å | Aromatic |
| N05 | N06 | doub | 1.29Å | 1.30Å | Aromatic |
| N04 | C19 | sing | 1.35Å | 1.40Å | Aromatic |
| C02 | C01 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| N06 | C18 | sing | 1.35Å | 1.42Å | Aromatic |
| C19 | C18 | doub | 1.36Å | 1.40Å | Aromatic |
| C01 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C20 | sing | 1.48Å | 1.49Å | |
| C06 | F01 | sing | 1.35Å | 1.33Å | |
| C20 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | F02 | sing | 1.35Å | 1.33Å | |
| C10 | H08 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C01 | H02 | sing | 1.08Å | 1.08Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C08 | H06 | sing | 1.08Å | 1.08Å | |
| C09 | H07 | sing | 1.09Å | 1.10Å | |
| C11 | H09 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H01 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| O02 | H12 | sing | 0.97Å | 0.95Å | |
| O03 | H15 | sing | 0.97Å | 0.95Å | |
| O04 | H16 | sing | 0.97Å | 0.95Å | |
| O05 | H26 | sing | 0.97Å | 0.95Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | N02 | N03 | 110.4° | 110.4° |
| N02 | N01 | C07 | 110.4° | 108.8° |
| N02 | N03 | C11 | 130.6° | 125.8° |
| N02 | N03 | C08 | 107.0° | 108.5° |
| O04 | C12 | C11 | 110.2° | 109.6° |
| O04 | C12 | C13 | 109.6° | 109.5° |
| O04 | C12 | H10 | 109.0° | 109.6° |
| C12 | O04 | H16 | 109.5° | 114.0° |
| N01 | C07 | C08 | 104.4° | 106.2° |
| N01 | C07 | C02 | 125.5° | 126.9° |
| C11 | N03 | C08 | 122.4° | 125.7° |
| N03 | C11 | C12 | 119.7° | 109.6° |
| N03 | C11 | C10 | 116.2° | 109.6° |
| N03 | C11 | H09 | 100.5° | 109.6° |
| N03 | C08 | C07 | 107.8° | 106.0° |
| N03 | C08 | H06 | 126.1° | 127.0° |
| C12 | C11 | C10 | 115.4° | 109.1° |
| C11 | C12 | C13 | 112.4° | 109.2° |
| C12 | C11 | H09 | 99.6° | 109.6° |
| C11 | C12 | H10 | 108.2° | 109.5° |
| C11 | C10 | C09 | 111.9° | 109.3° |
| C11 | C10 | O02 | 103.7° | 109.5° |
| C11 | C10 | H08 | 110.6° | 109.6° |
| C10 | C11 | H09 | 99.5° | 109.5° |
| C12 | C13 | S01 | 104.8° | 109.5° |
| C12 | C13 | O01 | 111.1° | 109.4° |
| C12 | C13 | H11 | 111.6° | 109.5° |
| C13 | C12 | H10 | 107.3° | 109.5° |
| S01 | C13 | O01 | 107.0° | 109.5° |
| C13 | S01 | C15 | 107.7° | 103.0° |
| S01 | C13 | H11 | 108.1° | 109.5° |
| C13 | O01 | C09 | 112.8° | 114.1° |
| O01 | C13 | H11 | 113.7° | 109.5° |
| S01 | C15 | C16 | 112.5° | 109.4° |
| S01 | C15 | H18 | 108.7° | 109.5° |
| S01 | C15 | H17 | 108.7° | 109.5° |
| C15 | C16 | C17 | 108.6° | 109.5° |
| C15 | C16 | O05 | 110.6° | 109.5° |
| C16 | C15 | H18 | 108.7° | 109.5° |
| C16 | C15 | H17 | 108.7° | 109.4° |
| C15 | C16 | H01 | 109.2° | 109.5° |
| C10 | C09 | O01 | 109.1° | 109.4° |
| C10 | C09 | C14 | 110.7° | 109.5° |
| C09 | C10 | O02 | 108.8° | 109.5° |
| C09 | C10 | H08 | 110.0° | 109.5° |
| C10 | C09 | H07 | 109.5° | 109.4° |
| O01 | C09 | C14 | 106.7° | 109.5° |
| O01 | C09 | H07 | 111.3° | 109.5° |
| C09 | C14 | O03 | 109.2° | 109.5° |
| C14 | C09 | H07 | 109.5° | 109.6° |
| C09 | C14 | H13 | 109.5° | 109.5° |
| C09 | C14 | H14 | 109.5° | 109.5° |
| C16 | C17 | N04 | 114.5° | 109.5° |
| C17 | C16 | O05 | 109.4° | 109.5° |
| C16 | C17 | H20 | 108.2° | 109.5° |
| C16 | C17 | H19 | 108.2° | 109.5° |
| C17 | C16 | H01 | 108.8° | 109.4° |
| C17 | N04 | N05 | 127.2° | 125.7° |
| C17 | N04 | C19 | 125.3° | 125.7° |
| N04 | C17 | H20 | 108.2° | 109.4° |
| N04 | C17 | H19 | 108.2° | 109.4° |
| O02 | C10 | H08 | 111.7° | 109.5° |
| C10 | O02 | H12 | 109.5° | 114.0° |
| C08 | C07 | C02 | 130.1° | 126.9° |
| C07 | C08 | H06 | 126.1° | 127.0° |
| C07 | C02 | C03 | 122.5° | 120.1° |
| C07 | C02 | C01 | 120.5° | 120.1° |
| C02 | C03 | C04 | 122.1° | 119.9° |
| C03 | C02 | C01 | 117.0° | 119.8° |
| C02 | C03 | H03 | 119.0° | 120.0° |
| C03 | C04 | C05 | 120.9° | 120.1° |
| C04 | C03 | H03 | 118.9° | 120.0° |
| C03 | C04 | H04 | 119.5° | 120.0° |
| O03 | C14 | H13 | 109.5° | 109.4° |
| O03 | C14 | H14 | 109.5° | 109.5° |
| C14 | O03 | H15 | 109.5° | 114.0° |
| O05 | C16 | H01 | 110.3° | 109.5° |
| C16 | O05 | H26 | 109.5° | 114.0° |
| N04 | N05 | N06 | 109.4° | 110.5° |
| N05 | N04 | C19 | 107.5° | 108.5° |
| N05 | N06 | C18 | 111.0° | 108.8° |
| N04 | C19 | C18 | 108.0° | 106.0° |
| N04 | C19 | H21 | 126.0° | 127.0° |
| C02 | C01 | C06 | 120.0° | 119.8° |
| C02 | C01 | H02 | 120.0° | 120.0° |
| C04 | C05 | C06 | 116.5° | 120.3° |
| C05 | C04 | H04 | 119.5° | 119.9° |
| C04 | C05 | H05 | 121.8° | 119.9° |
| N06 | C18 | C19 | 104.2° | 106.2° |
| N06 | C18 | C20 | 126.2° | 126.9° |
| C19 | C18 | C20 | 129.7° | 126.9° |
| C18 | C19 | H21 | 126.0° | 127.0° |
| C01 | C06 | C05 | 123.5° | 120.1° |
| C01 | C06 | F01 | 118.7° | 119.9° |
| C06 | C01 | H02 | 120.0° | 120.1° |
| C05 | C06 | F01 | 117.7° | 120.0° |
| C06 | C05 | H05 | 121.8° | 119.9° |
| C18 | C20 | C25 | 125.2° | 120.1° |
| C18 | C20 | C21 | 119.4° | 120.1° |
| C25 | C20 | C21 | 115.3° | 119.8° |
| C20 | C25 | C24 | 122.4° | 119.9° |
| C20 | C25 | H25 | 118.8° | 120.0° |
| C20 | C21 | C22 | 121.7° | 119.9° |
| C20 | C21 | H22 | 119.1° | 120.1° |
| C25 | C24 | C23 | 121.9° | 120.1° |
| C25 | C24 | H24 | 119.1° | 119.9° |
| C24 | C25 | H25 | 118.8° | 120.0° |
| C21 | C22 | C23 | 122.8° | 120.1° |
| C21 | C22 | F02 | 119.4° | 120.0° |
| C22 | C21 | H22 | 119.1° | 120.0° |
| C24 | C23 | C22 | 115.9° | 120.2° |
| C23 | C24 | H24 | 119.0° | 119.9° |
| C24 | C23 | H23 | 122.0° | 119.9° |
| C23 | C22 | F02 | 117.9° | 119.9° |
| C22 | C23 | H23 | 122.0° | 119.9° |
| H18 | C15 | H17 | 109.4° | 109.5° |
| H20 | C17 | H19 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | N02 | N03 | C11 | 179.7° | 180.0° |
| N01 | N02 | N03 | C08 | 1.0° | 0.4° |
| N02 | N01 | C07 | C08 | 0.4° | 0.0° |
| N02 | N01 | C07 | C02 | 178.9° | 179.8° |
| N03 | N02 | N01 | C07 | 0.9° | 0.3° |
| N02 | N03 | C11 | C08 | 178.5° | 179.5° |
| N02 | N03 | C11 | C12 | 113.7° | 145.0° |
| N02 | N03 | C11 | C10 | 100.0° | 95.4° |
| N02 | N03 | C08 | C07 | 0.7° | 0.4° |
| N02 | N03 | C08 | H06 | 179.3° | 179.6° |
| N02 | N03 | C11 | H09 | 6.1° | 24.7° |
| O04 | C12 | C11 | N03 | 50.4° | 63.2° |
| O04 | C12 | C11 | C13 | 122.6° | 119.9° |
| O04 | C12 | C11 | H10 | 119.1° | 120.2° |
| O04 | C12 | C11 | C10 | 163.0° | 176.9° |
| O04 | C12 | C13 | H10 | 118.2° | 120.2° |
| O04 | C12 | C13 | S01 | 74.1° | 62.5° |
| O04 | C12 | C13 | O01 | 170.7° | 177.5° |
| O04 | C12 | C13 | H11 | 42.7° | 57.5° |
| O04 | C12 | C11 | H09 | 57.7° | 57.0° |
| N01 | C07 | C08 | N03 | 0.2° | 0.2° |
| N01 | C07 | C08 | C02 | 179.3° | 179.8° |
| N01 | C07 | C02 | C03 | 19.7° | 179.6° |
| N01 | C07 | C02 | C01 | 158.5° | 0.3° |
| N01 | C07 | C08 | H06 | 179.8° | 179.8° |
| N03 | C11 | C12 | C10 | 146.6° | 119.9° |
| N03 | C11 | C12 | H09 | 108.0° | 120.2° |
| N03 | C11 | C10 | H09 | 106.7° | 120.2° |
| N03 | C11 | C12 | C13 | 173.0° | 176.9° |
| N03 | C11 | C10 | C09 | 168.8° | 176.9° |
| N03 | C11 | C10 | O02 | 74.1° | 57.0° |
| C11 | N03 | C08 | C07 | 179.6° | 180.0° |
| N03 | C11 | C10 | H08 | 45.8° | 63.1° |
| C11 | N03 | C08 | H06 | 0.4° | 0.1° |
| N03 | C11 | C12 | H10 | 68.7° | 57.0° |
| C08 | N03 | C11 | C12 | 67.8° | 34.5° |
| C08 | N03 | C11 | C10 | 78.5° | 85.1° |
| N03 | C08 | C07 | H06 | 180.0° | 180.0° |
| N03 | C08 | C07 | C02 | 179.5° | 180.0° |
| C08 | N03 | C11 | H09 | 175.4° | 154.8° |
| C12 | C11 | C10 | H09 | 105.5° | 119.9° |
| C11 | C12 | C13 | H10 | 118.8° | 119.8° |
| C11 | C12 | C13 | S01 | 163.0° | 177.5° |
| C11 | C12 | C13 | O01 | 47.7° | 57.6° |
| C12 | C11 | C10 | C09 | 43.4° | 57.0° |
| C12 | C11 | C10 | O02 | 73.7° | 62.9° |
| C12 | C11 | C10 | H08 | 166.4° | 177.0° |
| C11 | C12 | C13 | H11 | 80.3° | 62.4° |
| C11 | C12 | O04 | H16 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 40.4° | 56.9° |
| C11 | C10 | C09 | O02 | 114.0° | 119.9° |
| C11 | C10 | C09 | H08 | 123.3° | 120.0° |
| C11 | C10 | C09 | O01 | 53.1° | 57.6° |
| C11 | C10 | C09 | C14 | 170.3° | 177.6° |
| C11 | C10 | O02 | H08 | 119.1° | 120.1° |
| C11 | C10 | C09 | H07 | 68.9° | 62.3° |
| C10 | C11 | C12 | H10 | 77.9° | 62.9° |
| C11 | C10 | O02 | H12 | 180.0° | 179.9° |
| C12 | C13 | S01 | O01 | 118.0° | 120.0° |
| C12 | C13 | S01 | H11 | 119.1° | 120.0° |
| C12 | C13 | O01 | H11 | 126.9° | 120.0° |
| C12 | C13 | S01 | C15 | 165.9° | 175.0° |
| C12 | C13 | O01 | C09 | 61.5° | 61.1° |
| C13 | C12 | C11 | H09 | 64.9° | 62.9° |
| C13 | C12 | O04 | H16 | 55.8° | 60.0° |
| S01 | C13 | O01 | H11 | 119.3° | 120.0° |
| C13 | S01 | C15 | C16 | 69.5° | 180.0° |
| S01 | C13 | O01 | C09 | 175.3° | 178.9° |
| C13 | S01 | C15 | H18 | 170.0° | 60.1° |
| C13 | S01 | C15 | H17 | 51.0° | 60.0° |
| S01 | C13 | C12 | H10 | 44.2° | 57.7° |
| O01 | C13 | S01 | C15 | 76.0° | 65.0° |
| C13 | O01 | C09 | C10 | 64.0° | 61.0° |
| C13 | O01 | C09 | C14 | 176.4° | 179.0° |
| C13 | O01 | C09 | H07 | 57.0° | 58.8° |
| O01 | C13 | C12 | H10 | 71.1° | 62.3° |
| S01 | C15 | C16 | H18 | 120.5° | 120.0° |
| S01 | C15 | C16 | H17 | 120.5° | 120.0° |
| S01 | C15 | C16 | C17 | 175.1° | 175.0° |
| S01 | C15 | C16 | O05 | 55.2° | 65.0° |
| C15 | S01 | C13 | H11 | 46.8° | 55.0° |
| S01 | C15 | H18 | H17 | 118.6° | 120.0° |
| S01 | C15 | C16 | H01 | 66.4° | 55.0° |
| C15 | C16 | C17 | O05 | 120.7° | 120.0° |
| C15 | C16 | C17 | H01 | 118.8° | 120.0° |
| C15 | C16 | C17 | N04 | 167.2° | 175.0° |
| C15 | C16 | O05 | H01 | 120.9° | 120.1° |
| C16 | C15 | H18 | H17 | 118.6° | 120.0° |
| C15 | C16 | C17 | H20 | 46.5° | 65.0° |
| C15 | C16 | C17 | H19 | 72.0° | 55.0° |
| C15 | C16 | O05 | H26 | 180.0° | 60.0° |
| C10 | C09 | O01 | C14 | 119.7° | 120.0° |
| C10 | C09 | O01 | H07 | 120.9° | 119.9° |
| C10 | C09 | C14 | H07 | 120.8° | 120.0° |
| C09 | C10 | O02 | H08 | 121.6° | 120.1° |
| C10 | C09 | C14 | O03 | 176.3° | 174.9° |
| C09 | C10 | C11 | H09 | 62.0° | 62.9° |
| C10 | C09 | C14 | H13 | 56.3° | 55.0° |
| C10 | C09 | C14 | H14 | 63.7° | 65.0° |
| C09 | C10 | O02 | H12 | 60.8° | 60.2° |
| O01 | C09 | C14 | H07 | 120.5° | 120.1° |
| O01 | C09 | C10 | O02 | 60.9° | 62.3° |
| O01 | C09 | C14 | O03 | 65.0° | 65.1° |
| O01 | C09 | C10 | H08 | 176.4° | 177.6° |
| C09 | O01 | C13 | H11 | 65.4° | 58.9° |
| O01 | C09 | C14 | H13 | 175.0° | 175.0° |
| O01 | C09 | C14 | H14 | 54.9° | 54.9° |
| C14 | C09 | C10 | O02 | 56.3° | 57.7° |
| C09 | C14 | O03 | H13 | 120.0° | 120.0° |
| C09 | C14 | O03 | H14 | 120.0° | 120.1° |
| C14 | C09 | C10 | H08 | 66.4° | 62.4° |
| C09 | C14 | H13 | H14 | 120.1° | 120.1° |
| C09 | C14 | O03 | H15 | 180.0° | 180.0° |
| C16 | C17 | N04 | H20 | 120.7° | 120.0° |
| C16 | C17 | N04 | H19 | 120.7° | 120.0° |
| C17 | C16 | O05 | H01 | 119.6° | 119.9° |
| C16 | C17 | N04 | N05 | 90.4° | 55.0° |
| C16 | C17 | N04 | C19 | 89.1° | 125.0° |
| C17 | C16 | C15 | H18 | 54.7° | 55.0° |
| C17 | C16 | C15 | H17 | 64.4° | 65.0° |
| C16 | C17 | H20 | H19 | 117.7° | 120.1° |
| C17 | C16 | O05 | H26 | 60.5° | 60.0° |
| N04 | C17 | C16 | O05 | 46.5° | 65.0° |
| C17 | N04 | N05 | C19 | 179.5° | 180.0° |
| C17 | N04 | N05 | N06 | 179.7° | 180.0° |
| C17 | N04 | C19 | C18 | 179.8° | 180.0° |
| N04 | C17 | H20 | H19 | 117.7° | 119.9° |
| N04 | C17 | C16 | H01 | 74.0° | 55.0° |
| C17 | N04 | C19 | H21 | 0.2° | 0.3° |
| O02 | C10 | C09 | H07 | 177.1° | 177.8° |
| O02 | C10 | C11 | H09 | 179.1° | 177.2° |
| C08 | C07 | C02 | C03 | 161.2° | 0.1° |
| C08 | C07 | C02 | C01 | 20.6° | 180.0° |
| C07 | C02 | C03 | C01 | 178.3° | 179.9° |
| C07 | C02 | C03 | C04 | 179.8° | 180.0° |
| C07 | C02 | C01 | C06 | 180.0° | 180.0° |
| C07 | C02 | C01 | H02 | 0.0° | 0.4° |
| C07 | C02 | C03 | H03 | 0.2° | 0.1° |
| C02 | C07 | C08 | H06 | 0.5° | 0.0° |
| C02 | C03 | C04 | H03 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.9° | 0.1° |
| C03 | C02 | C01 | C06 | 1.7° | 0.1° |
| C03 | C02 | C01 | H02 | 178.3° | 179.7° |
| C02 | C03 | C04 | H04 | 179.1° | 180.0° |
| C04 | C03 | C02 | C01 | 1.5° | 0.1° |
| C03 | C04 | C05 | H04 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.5° | 0.0° |
| C03 | C04 | C05 | H05 | 179.5° | 180.0° |
| O03 | C14 | C09 | H07 | 55.5° | 55.0° |
| O03 | C14 | H13 | H14 | 120.1° | 120.0° |
| O05 | C16 | C15 | H18 | 65.3° | 175.0° |
| O05 | C16 | C15 | H17 | 175.6° | 55.0° |
| O05 | C16 | C17 | H20 | 74.2° | 55.0° |
| O05 | C16 | C17 | H19 | 167.2° | 175.0° |
| N04 | N05 | N06 | C18 | 0.1° | 0.0° |
| N05 | N04 | C19 | C18 | 0.3° | 0.0° |
| N05 | N04 | C17 | H20 | 148.9° | 175.0° |
| N05 | N04 | C17 | H19 | 30.4° | 65.0° |
| N05 | N04 | C19 | H21 | 179.7° | 179.7° |
| N06 | N05 | N04 | C19 | 0.2° | 0.0° |
| N05 | N06 | C18 | C19 | 0.1° | 0.0° |
| N05 | N06 | C18 | C20 | 178.5° | 179.7° |
| N04 | C19 | C18 | N06 | 0.2° | 0.0° |
| N04 | C19 | C18 | H21 | 180.0° | 179.7° |
| N04 | C19 | C18 | C20 | 178.5° | 179.7° |
| C19 | N04 | C17 | H20 | 31.7° | 4.9° |
| C19 | N04 | C17 | H19 | 150.2° | 115.0° |
| C02 | C01 | C06 | H02 | 180.0° | 179.6° |
| C02 | C01 | C06 | C05 | 1.4° | 0.1° |
| C02 | C01 | C06 | F01 | 179.9° | 179.7° |
| C01 | C02 | C03 | H03 | 178.5° | 179.9° |
| C04 | C05 | C06 | C01 | 0.8° | 0.0° |
| C04 | C05 | C06 | H05 | 180.0° | 180.0° |
| C04 | C05 | C06 | F01 | 179.3° | 179.7° |
| C05 | C04 | C03 | H03 | 179.0° | 180.0° |
| N06 | C18 | C19 | C20 | 178.3° | 179.7° |
| N06 | C18 | C20 | C25 | 0.8° | 0.4° |
| N06 | C18 | C20 | C21 | 178.4° | 179.4° |
| N06 | C18 | C19 | H21 | 179.8° | 179.7° |
| C19 | C18 | C20 | C25 | 177.2° | 180.0° |
| C19 | C18 | C20 | C21 | 0.4° | 0.2° |
| C01 | C06 | C05 | F01 | 178.5° | 179.8° |
| C01 | C06 | C05 | H05 | 179.2° | 180.0° |
| C05 | C06 | C01 | H02 | 178.6° | 179.7° |
| C06 | C05 | C04 | H04 | 179.5° | 180.0° |
| C18 | C20 | C25 | C21 | 177.7° | 179.8° |
| C18 | C20 | C25 | C24 | 179.1° | 179.7° |
| C18 | C20 | C21 | C22 | 179.1° | 179.7° |
| C18 | C20 | C21 | H22 | 0.9° | 0.2° |
| C20 | C18 | C19 | H21 | 1.5° | 0.0° |
| C18 | C20 | C25 | H25 | 0.9° | 0.3° |
| F01 | C06 | C01 | H02 | 0.1° | 0.1° |
| F01 | C06 | C05 | H05 | 0.7° | 0.3° |
| C20 | C25 | C24 | H25 | 180.0° | 180.0° |
| C25 | C20 | C21 | C22 | 1.3° | 0.0° |
| C20 | C25 | C24 | C23 | 0.8° | 0.0° |
| C25 | C20 | C21 | H22 | 178.7° | 179.9° |
| C20 | C25 | C24 | H24 | 179.2° | 179.9° |
| C21 | C20 | C25 | C24 | 1.4° | 0.0° |
| C20 | C21 | C22 | H22 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.6° | 0.0° |
| C20 | C21 | C22 | F02 | 179.4° | 180.0° |
| C21 | C20 | C25 | H25 | 178.6° | 179.9° |
| C25 | C24 | C23 | H24 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.0° | 0.0° |
| C25 | C24 | C23 | H23 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.0° | 0.0° |
| C21 | C22 | C23 | F02 | 180.0° | 180.0° |
| C21 | C22 | C23 | H23 | 180.0° | 180.0° |
| C24 | C23 | C22 | H23 | 180.0° | 180.0° |
| C24 | C23 | C22 | F02 | 179.9° | 180.0° |
| C23 | C24 | C25 | H25 | 179.2° | 179.9° |
| C23 | C22 | C21 | H22 | 179.4° | 179.9° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| F02 | C22 | C21 | H22 | 0.6° | 0.1° |
| F02 | C22 | C23 | H23 | 0.1° | 0.0° |
| H08 | C10 | C09 | H07 | 54.4° | 57.7° |
| H08 | C10 | C11 | H09 | 60.9° | 57.1° |
| H08 | C10 | O02 | H12 | 60.8° | 59.9° |
| H11 | C13 | C12 | H10 | 160.9° | 177.7° |
| H18 | C15 | C16 | H01 | 173.2° | 65.0° |
| H17 | C15 | C16 | H01 | 54.1° | 175.0° |
| H20 | C17 | C16 | H01 | 165.3° | 175.0° |
| H19 | C17 | C16 | H01 | 46.7° | 65.0° |
| H24 | C24 | C23 | H23 | 0.0° | 0.0° |
| H24 | C24 | C25 | H25 | 0.8° | 0.1° |
| H03 | C03 | C04 | H04 | 1.0° | 0.1° |
| H04 | C04 | C05 | H05 | 0.5° | 0.1° |
| H07 | C09 | C14 | H13 | 64.5° | 65.0° |
| H07 | C09 | C14 | H14 | 175.5° | 175.0° |
| H09 | C11 | C12 | H10 | 176.8° | 177.2° |
| H10 | C12 | O04 | H16 | 61.4° | 60.1° |
| H13 | C14 | O03 | H15 | 60.0° | 60.1° |
| H14 | C14 | O03 | H15 | 60.0° | 59.9° |
| H01 | C16 | O05 | H26 | 59.1° | 179.9° |
