A1EVY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N01 | sing | 1.46Å | 1.47Å | |
| N01 | C02 | sing | 1.36Å | 1.42Å | Aromatic |
| N01 | C30 | sing | 1.36Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.51Å | 1.57Å | |
| C02 | N04 | doub | 1.31Å | 1.37Å | Aromatic |
| C03 | C04 | sing | 1.54Å | 1.70Å | |
| C03 | C07 | sing | 1.54Å | 1.70Å | |
| C03 | C08 | sing | 1.51Å | 1.56Å | |
| C04 | C05 | sing | 1.54Å | 1.44Å | |
| C05 | C06 | sing | 1.53Å | 1.61Å | |
| C05 | C07 | sing | 1.54Å | 1.44Å | |
| C08 | C09 | doub | 1.38Å | 1.32Å | Aromatic |
| C08 | C29 | sing | 1.38Å | 1.54Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.52Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.55Å | |
| C10 | C27 | doub | 1.39Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.37Å | 1.18Å | |
| C11 | C26 | sing | 1.47Å | 1.40Å | |
| C12 | C13 | sing | 1.42Å | 1.22Å | |
| C13 | C14 | doub | 1.41Å | 1.55Å | Aromatic |
| C13 | C25 | sing | 1.40Å | 1.55Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | N03 | sing | 1.38Å | 1.70Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | C23 | doub | 1.38Å | 1.22Å | Aromatic |
| C16 | N02 | sing | 1.47Å | 1.39Å | |
| N02 | C17 | sing | 1.47Å | 1.42Å | |
| N02 | C22 | sing | 1.47Å | 1.41Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.39Å | 1.23Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | F01 | sing | 1.35Å | 1.37Å | |
| N03 | C26 | sing | 1.35Å | 1.59Å | |
| C26 | O01 | doub | 1.22Å | 1.40Å | |
| C27 | C28 | sing | 1.38Å | 1.56Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.33Å | Aromatic |
| N04 | N05 | sing | 1.29Å | 1.45Å | Aromatic |
| N05 | C30 | doub | 1.30Å | 1.33Å | Aromatic |
| C01 | H04 | sing | 1.09Å | 1.10Å | |
| C01 | H05 | sing | 1.09Å | 1.10Å | |
| C01 | H03 | sing | 1.09Å | 1.10Å | |
| C04 | H07 | sing | 1.09Å | 1.10Å | |
| C04 | H06 | sing | 1.09Å | 1.10Å | |
| C05 | H01 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H08 | sing | 1.09Å | 1.10Å | |
| C06 | H09 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H02 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| C24 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| C28 | H32 | sing | 1.08Å | 1.08Å | |
| C29 | H33 | sing | 1.08Å | 1.08Å | |
| C30 | H34 | sing | 1.08Å | 1.08Å | |
| N03 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N01 | C02 | 125.8° | 127.0° |
| C01 | N01 | C30 | 126.4° | 127.0° |
| N01 | C01 | H04 | 109.5° | 109.4° |
| N01 | C01 | H05 | 109.5° | 109.5° |
| N01 | C01 | H03 | 109.5° | 109.5° |
| C02 | N01 | C30 | 107.8° | 106.1° |
| N01 | C02 | C03 | 125.0° | 126.4° |
| N01 | C02 | N04 | 106.8° | 107.3° |
| N01 | C30 | N05 | 110.0° | 107.3° |
| N01 | C30 | H34 | 125.0° | 126.3° |
| C03 | C02 | N04 | 128.2° | 126.3° |
| C02 | C03 | C04 | 107.8° | 113.6° |
| C02 | C03 | C07 | 114.2° | 113.6° |
| C02 | C03 | C08 | 108.0° | 112.8° |
| C02 | N04 | N05 | 108.0° | 109.7° |
| C04 | C03 | C07 | 82.4° | 87.1° |
| C04 | C03 | C08 | 106.6° | 113.6° |
| C03 | C04 | C05 | 84.8° | 87.1° |
| C03 | C04 | H07 | 115.2° | 113.6° |
| C03 | C04 | H06 | 115.2° | 113.6° |
| C07 | C03 | C08 | 131.6° | 113.7° |
| C03 | C07 | C05 | 84.9° | 87.0° |
| C03 | C07 | H12 | 115.2° | 113.6° |
| C03 | C07 | H11 | 115.2° | 113.6° |
| C03 | C08 | C09 | 117.6° | 119.9° |
| C03 | C08 | C29 | 120.2° | 119.9° |
| C04 | C05 | C06 | 112.8° | 113.7° |
| C04 | C05 | C07 | 102.3° | 87.1° |
| C05 | C04 | H07 | 115.2° | 113.6° |
| C05 | C04 | H06 | 115.2° | 113.6° |
| C04 | C05 | H01 | 111.2° | 113.7° |
| C06 | C05 | C07 | 110.5° | 113.6° |
| C06 | C05 | H01 | 108.8° | 112.8° |
| C05 | C06 | H10 | 109.5° | 109.5° |
| C05 | C06 | H08 | 109.5° | 109.5° |
| C05 | C06 | H09 | 109.5° | 109.4° |
| C07 | C05 | H01 | 111.2° | 113.7° |
| C05 | C07 | H12 | 115.2° | 113.6° |
| C05 | C07 | H11 | 115.2° | 113.7° |
| C09 | C08 | C29 | 122.2° | 120.1° |
| C08 | C09 | C10 | 120.1° | 119.9° |
| C08 | C09 | H13 | 119.9° | 120.0° |
| C08 | C29 | C28 | 119.2° | 120.3° |
| C08 | C29 | H33 | 120.4° | 119.9° |
| C09 | C10 | C11 | 122.8° | 120.2° |
| C09 | C10 | C27 | 117.6° | 119.7° |
| C10 | C09 | H13 | 119.9° | 120.1° |
| C11 | C10 | C27 | 117.8° | 120.1° |
| C10 | C11 | C12 | 114.1° | 120.3° |
| C10 | C11 | C26 | 117.3° | 120.3° |
| C10 | C27 | C28 | 121.3° | 119.9° |
| C10 | C27 | H31 | 119.4° | 120.1° |
| C12 | C11 | C26 | 128.6° | 119.4° |
| C11 | C12 | C13 | 127.7° | 119.2° |
| C11 | C12 | H14 | 116.1° | 120.4° |
| C11 | C26 | N03 | 114.8° | 120.2° |
| C11 | C26 | O01 | 124.3° | 119.9° |
| C12 | C13 | C14 | 127.3° | 120.0° |
| C12 | C13 | C25 | 132.4° | 120.3° |
| C13 | C12 | H14 | 116.1° | 120.4° |
| C14 | C13 | C25 | 100.3° | 119.7° |
| C13 | C14 | C15 | 123.5° | 119.5° |
| C13 | C14 | N03 | 106.6° | 120.4° |
| C13 | C25 | C24 | 126.0° | 119.7° |
| C13 | C25 | F01 | 117.6° | 120.2° |
| C15 | C14 | N03 | 129.9° | 120.1° |
| C14 | C15 | C16 | 116.8° | 120.0° |
| C14 | C15 | C23 | 126.0° | 120.1° |
| C14 | N03 | C26 | 114.9° | 120.7° |
| C14 | N03 | H30 | 122.6° | 119.6° |
| C16 | C15 | C23 | 116.7° | 119.9° |
| C15 | C16 | N02 | 125.3° | 109.5° |
| C15 | C16 | H15 | 105.4° | 109.6° |
| C15 | C16 | H16 | 105.4° | 109.4° |
| C15 | C23 | C24 | 121.7° | 120.6° |
| C15 | C23 | H28 | 119.1° | 119.7° |
| C16 | N02 | C17 | 101.1° | 111.0° |
| C16 | N02 | C22 | 104.5° | 111.0° |
| N02 | C16 | H15 | 105.4° | 109.5° |
| N02 | C16 | H16 | 105.4° | 109.4° |
| C17 | N02 | C22 | 116.0° | 111.2° |
| N02 | C17 | C18 | 111.5° | 109.5° |
| N02 | C17 | H18 | 109.0° | 109.5° |
| N02 | C17 | H17 | 108.9° | 109.4° |
| N02 | C22 | C20 | 102.6° | 109.5° |
| N02 | C22 | H27 | 111.2° | 109.4° |
| N02 | C22 | H26 | 111.2° | 109.5° |
| C17 | C18 | C19 | 118.0° | 109.3° |
| C18 | C17 | H18 | 109.0° | 109.4° |
| C18 | C17 | H17 | 109.0° | 109.5° |
| C17 | C18 | H20 | 107.3° | 109.5° |
| C17 | C18 | H19 | 107.3° | 109.5° |
| C18 | C19 | C20 | 116.2° | 109.2° |
| C19 | C18 | H20 | 107.3° | 109.5° |
| C19 | C18 | H19 | 107.3° | 109.5° |
| C18 | C19 | H21 | 107.8° | 109.5° |
| C18 | C19 | H22 | 107.8° | 109.5° |
| C19 | C20 | C21 | 109.6° | 109.5° |
| C19 | C20 | C22 | 108.6° | 109.3° |
| C20 | C19 | H21 | 107.7° | 109.5° |
| C20 | C19 | H22 | 107.7° | 109.5° |
| C19 | C20 | H02 | 109.4° | 109.5° |
| C21 | C20 | C22 | 110.2° | 109.5° |
| C21 | C20 | H02 | 109.5° | 109.5° |
| C20 | C21 | H23 | 109.5° | 109.5° |
| C20 | C21 | H25 | 109.5° | 109.5° |
| C20 | C21 | H24 | 109.4° | 109.5° |
| C22 | C20 | H02 | 109.5° | 109.5° |
| C20 | C22 | H27 | 111.2° | 109.5° |
| C20 | C22 | H26 | 111.2° | 109.5° |
| C23 | C24 | C25 | 122.5° | 120.4° |
| C24 | C23 | H28 | 119.1° | 119.7° |
| C23 | C24 | H29 | 118.8° | 119.8° |
| C24 | C25 | F01 | 116.4° | 120.1° |
| C25 | C24 | H29 | 118.8° | 119.8° |
| N03 | C26 | O01 | 120.8° | 119.9° |
| C26 | N03 | H30 | 122.6° | 119.7° |
| C27 | C28 | C29 | 118.4° | 120.1° |
| C28 | C27 | H31 | 119.3° | 120.0° |
| C27 | C28 | H32 | 120.8° | 120.0° |
| C29 | C28 | H32 | 120.8° | 119.9° |
| C28 | C29 | H33 | 120.4° | 119.8° |
| N04 | N05 | C30 | 107.4° | 109.7° |
| N05 | C30 | H34 | 125.0° | 126.4° |
| H04 | C01 | H05 | 109.5° | 109.5° |
| H04 | C01 | H03 | 109.4° | 109.4° |
| H05 | C01 | H03 | 109.5° | 109.5° |
| H07 | C04 | H06 | 109.5° | 112.9° |
| H10 | C06 | H08 | 109.4° | 109.5° |
| H10 | C06 | H09 | 109.5° | 109.5° |
| H08 | C06 | H09 | 109.5° | 109.5° |
| H12 | C07 | H11 | 109.5° | 112.9° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H18 | C17 | H17 | 109.5° | 109.5° |
| H20 | C18 | H19 | 109.5° | 109.6° |
| H21 | C19 | H22 | 109.5° | 109.6° |
| H23 | C21 | H25 | 109.4° | 109.5° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H25 | C21 | H24 | 109.5° | 109.4° |
| H27 | C22 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N01 | C02 | C30 | 179.9° | 179.9° |
| C01 | N01 | C02 | C03 | 0.7° | 0.1° |
| C01 | N01 | C02 | N04 | 179.4° | 179.8° |
| C01 | N01 | C30 | N05 | 179.7° | 179.9° |
| N01 | C01 | H04 | H05 | 120.0° | 120.0° |
| N01 | C01 | H04 | H03 | 120.0° | 120.0° |
| N01 | C01 | H05 | H03 | 120.0° | 120.1° |
| C01 | N01 | C30 | H34 | 0.3° | 0.0° |
| N01 | C02 | C03 | N04 | 178.4° | 179.6° |
| N01 | C02 | C03 | C04 | 174.3° | 65.5° |
| N01 | C02 | C03 | C07 | 96.2° | 162.9° |
| N01 | C02 | C03 | C08 | 59.5° | 65.7° |
| N01 | C02 | N04 | N05 | 0.7° | 0.3° |
| C02 | N01 | C30 | N05 | 0.4° | 0.2° |
| C02 | N01 | C01 | H04 | 180.0° | 84.7° |
| C02 | N01 | C01 | H05 | 60.0° | 155.2° |
| C02 | N01 | C01 | H03 | 60.0° | 35.2° |
| C02 | N01 | C30 | H34 | 179.6° | 179.9° |
| C30 | N01 | C02 | C03 | 179.4° | 180.0° |
| C30 | N01 | C02 | N04 | 0.7° | 0.3° |
| N01 | C30 | N05 | N04 | 0.0° | 0.0° |
| N01 | C30 | N05 | H34 | 180.0° | 179.9° |
| C30 | N01 | C01 | H04 | 0.1° | 95.4° |
| C30 | N01 | C01 | H05 | 120.2° | 24.6° |
| C30 | N01 | C01 | H03 | 119.9° | 144.7° |
| C02 | C03 | C04 | C07 | 113.0° | 114.6° |
| C02 | C03 | C04 | C08 | 115.7° | 130.8° |
| C02 | C03 | C07 | C08 | 148.4° | 130.9° |
| C02 | C03 | C04 | C05 | 129.1° | 140.0° |
| C02 | C03 | C07 | C05 | 122.2° | 139.9° |
| C02 | C03 | C08 | C09 | 56.8° | 54.8° |
| C02 | C03 | C08 | C29 | 121.7° | 125.0° |
| C03 | C02 | N04 | N05 | 179.3° | 180.0° |
| C02 | C03 | C04 | H07 | 115.4° | 105.5° |
| C02 | C03 | C04 | H06 | 13.6° | 25.4° |
| C02 | C03 | C07 | H12 | 6.7° | 25.4° |
| C02 | C03 | C07 | H11 | 122.2° | 105.5° |
| N04 | C02 | C03 | C04 | 4.1° | 114.9° |
| N04 | C02 | C03 | C07 | 85.5° | 17.5° |
| N04 | C02 | C03 | C08 | 118.9° | 113.9° |
| C02 | N04 | N05 | C30 | 0.4° | 0.2° |
| C04 | C03 | C07 | C08 | 105.5° | 114.6° |
| C03 | C04 | C05 | H07 | 115.5° | 114.6° |
| C03 | C04 | C05 | H06 | 115.5° | 114.6° |
| C03 | C04 | C05 | C06 | 138.1° | 140.0° |
| C04 | C03 | C07 | C05 | 16.1° | 25.4° |
| C04 | C03 | C08 | C09 | 58.8° | 174.0° |
| C04 | C03 | C08 | C29 | 122.7° | 6.2° |
| C03 | C04 | H07 | H06 | 131.8° | 131.2° |
| C03 | C04 | C05 | H01 | 99.3° | 89.2° |
| C04 | C03 | C07 | H12 | 99.4° | 89.1° |
| C04 | C03 | C07 | H11 | 131.6° | 140.0° |
| C03 | C07 | C05 | C06 | 139.8° | 140.1° |
| C03 | C07 | C05 | H12 | 115.5° | 114.5° |
| C03 | C07 | C05 | H11 | 115.5° | 114.5° |
| C07 | C03 | C08 | C09 | 153.4° | 76.5° |
| C07 | C03 | C08 | C29 | 28.1° | 103.7° |
| C07 | C03 | C04 | H07 | 131.6° | 140.0° |
| C07 | C03 | C04 | H06 | 99.4° | 89.1° |
| C03 | C07 | C05 | H01 | 99.3° | 89.2° |
| C03 | C07 | H12 | H11 | 131.8° | 131.2° |
| C08 | C03 | C04 | C05 | 115.2° | 89.2° |
| C08 | C03 | C07 | C05 | 89.4° | 89.1° |
| C03 | C08 | C09 | C29 | 178.5° | 179.8° |
| C03 | C08 | C09 | C10 | 172.9° | 180.0° |
| C03 | C08 | C29 | C28 | 179.1° | 179.7° |
| C08 | C03 | C04 | H07 | 0.3° | 25.3° |
| C08 | C03 | C04 | H06 | 129.3° | 156.2° |
| C08 | C03 | C07 | H12 | 155.1° | 156.3° |
| C08 | C03 | C07 | H11 | 26.1° | 25.4° |
| C03 | C08 | C09 | H13 | 7.1° | 0.0° |
| C03 | C08 | C29 | H33 | 0.9° | 0.0° |
| C04 | C05 | C06 | C07 | 113.8° | 97.5° |
| C04 | C05 | C06 | H01 | 123.9° | 131.3° |
| C04 | C05 | C07 | H01 | 118.8° | 114.6° |
| C05 | C04 | H07 | H06 | 131.8° | 131.2° |
| C04 | C05 | C06 | H10 | 180.0° | 59.9° |
| C04 | C05 | C06 | H08 | 60.0° | 180.0° |
| C04 | C05 | C06 | H09 | 60.0° | 60.0° |
| C04 | C05 | C07 | H12 | 96.1° | 89.1° |
| C04 | C05 | C07 | H11 | 135.0° | 140.0° |
| C06 | C05 | C07 | H01 | 120.9° | 130.8° |
| C06 | C05 | C04 | H07 | 106.4° | 105.5° |
| C06 | C05 | C04 | H06 | 22.7° | 25.4° |
| C05 | C06 | H10 | H08 | 120.0° | 120.1° |
| C05 | C06 | H10 | H09 | 120.0° | 119.9° |
| C05 | C06 | H08 | H09 | 120.0° | 119.9° |
| C06 | C05 | C07 | H12 | 24.3° | 25.5° |
| C06 | C05 | C07 | H11 | 104.7° | 105.4° |
| C07 | C05 | C04 | H07 | 134.9° | 140.0° |
| C07 | C05 | C04 | H06 | 96.1° | 89.1° |
| C07 | C05 | C06 | H10 | 66.2° | 37.6° |
| C07 | C05 | C06 | H08 | 173.9° | 82.5° |
| C07 | C05 | C06 | H09 | 53.8° | 157.6° |
| C05 | C07 | H12 | H11 | 131.7° | 131.4° |
| C08 | C09 | C10 | H13 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 176.5° | 179.9° |
| C08 | C09 | C10 | C27 | 12.1° | 0.0° |
| C09 | C08 | C29 | C28 | 0.7° | 0.5° |
| C09 | C08 | C29 | H33 | 179.3° | 179.8° |
| C29 | C08 | C09 | C10 | 5.5° | 0.2° |
| C08 | C29 | C28 | C27 | 0.6° | 0.6° |
| C08 | C29 | C28 | H33 | 180.0° | 179.7° |
| C29 | C08 | C09 | H13 | 174.4° | 179.8° |
| C08 | C29 | C28 | H32 | 179.5° | 179.7° |
| C09 | C10 | C11 | C27 | 164.4° | 179.9° |
| C09 | C10 | C11 | C12 | 151.5° | 115.0° |
| C09 | C10 | C11 | C26 | 28.2° | 65.3° |
| C09 | C10 | C27 | C28 | 12.3° | 0.1° |
| C09 | C10 | C27 | H31 | 167.7° | 179.9° |
| C10 | C11 | C12 | C26 | 179.6° | 179.8° |
| C10 | C11 | C12 | C13 | 176.1° | 180.0° |
| C10 | C11 | C26 | N03 | 176.6° | 179.7° |
| C10 | C11 | C26 | O01 | 1.6° | 0.0° |
| C11 | C10 | C27 | C28 | 177.5° | 180.0° |
| C11 | C10 | C09 | H13 | 3.5° | 0.1° |
| C10 | C11 | C12 | H14 | 3.9° | 0.0° |
| C11 | C10 | C27 | H31 | 2.4° | 0.1° |
| C27 | C10 | C11 | C12 | 44.1° | 64.9° |
| C27 | C10 | C11 | C26 | 136.2° | 114.8° |
| C10 | C27 | C28 | H31 | 180.0° | 179.9° |
| C10 | C27 | C28 | C29 | 6.4° | 0.4° |
| C27 | C10 | C09 | H13 | 167.9° | 180.0° |
| C10 | C27 | C28 | H32 | 173.6° | 180.0° |
| C11 | C12 | C13 | H14 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 2.0° | 0.0° |
| C11 | C12 | C13 | C25 | 178.1° | 179.9° |
| C12 | C11 | C26 | N03 | 3.8° | 0.5° |
| C12 | C11 | C26 | O01 | 178.0° | 179.8° |
| C26 | C11 | C12 | C13 | 4.3° | 0.2° |
| C11 | C26 | N03 | C14 | 1.4° | 0.5° |
| C11 | C26 | N03 | O01 | 178.3° | 179.8° |
| C26 | C11 | C12 | H14 | 175.7° | 179.8° |
| C11 | C26 | N03 | H30 | 178.6° | 179.8° |
| C12 | C13 | C14 | C25 | 179.9° | 179.9° |
| C12 | C13 | C14 | C15 | 178.5° | 179.9° |
| C12 | C13 | C14 | N03 | 0.1° | 0.0° |
| C12 | C13 | C25 | C24 | 179.7° | 180.0° |
| C12 | C13 | C25 | F01 | 0.1° | 0.1° |
| C13 | C14 | C15 | N03 | 178.2° | 180.0° |
| C13 | C14 | C15 | C16 | 174.6° | 180.0° |
| C13 | C14 | C15 | C23 | 3.5° | 0.0° |
| C14 | C13 | C25 | C24 | 0.4° | 0.1° |
| C14 | C13 | C25 | F01 | 179.8° | 180.0° |
| C13 | C14 | N03 | C26 | 0.1° | 0.3° |
| C14 | C13 | C12 | H14 | 178.0° | 180.0° |
| C13 | C14 | N03 | H30 | 179.9° | 180.0° |
| C25 | C13 | C14 | C15 | 1.6° | 0.0° |
| C25 | C13 | C14 | N03 | 179.8° | 179.9° |
| C13 | C25 | C24 | C23 | 0.7° | 0.0° |
| C13 | C25 | C24 | F01 | 179.7° | 180.0° |
| C25 | C13 | C12 | H14 | 1.9° | 0.1° |
| C13 | C25 | C24 | H29 | 179.3° | 180.0° |
| C14 | C15 | C16 | C23 | 171.9° | 179.9° |
| C14 | C15 | C16 | N02 | 87.3° | 79.9° |
| C14 | C15 | C23 | C24 | 3.7° | 0.0° |
| C15 | C14 | N03 | C26 | 178.3° | 179.7° |
| C14 | C15 | C16 | H15 | 150.6° | 160.0° |
| C14 | C15 | C16 | H16 | 34.9° | 40.0° |
| C14 | C15 | C23 | H28 | 176.3° | 180.0° |
| C15 | C14 | N03 | H30 | 1.7° | 0.0° |
| N03 | C14 | C15 | C16 | 7.2° | 0.1° |
| N03 | C14 | C15 | C23 | 178.3° | 180.0° |
| C14 | N03 | C26 | H30 | 180.0° | 179.7° |
| C14 | N03 | C26 | O01 | 179.7° | 179.7° |
| C15 | C16 | N02 | H15 | 122.1° | 120.1° |
| C15 | C16 | N02 | H16 | 122.1° | 119.9° |
| C15 | C16 | N02 | C17 | 85.7° | 66.0° |
| C15 | C16 | N02 | C22 | 35.1° | 169.8° |
| C16 | C15 | C23 | C24 | 174.8° | 180.0° |
| C15 | C16 | H15 | H16 | 112.9° | 120.0° |
| C16 | C15 | C23 | H28 | 5.2° | 0.1° |
| C23 | C15 | C16 | N02 | 100.8° | 100.0° |
| C15 | C23 | C24 | H28 | 180.0° | 180.0° |
| C15 | C23 | C24 | C25 | 2.2° | 0.0° |
| C23 | C15 | C16 | H15 | 21.3° | 20.0° |
| C23 | C15 | C16 | H16 | 137.1° | 140.1° |
| C15 | C23 | C24 | H29 | 177.8° | 180.0° |
| C16 | N02 | C17 | C22 | 112.3° | 124.1° |
| C16 | N02 | C17 | C18 | 159.0° | 174.1° |
| C16 | N02 | C22 | C20 | 171.7° | 174.1° |
| N02 | C16 | H15 | H16 | 112.9° | 119.9° |
| C16 | N02 | C17 | H18 | 38.7° | 54.1° |
| C16 | N02 | C17 | H17 | 80.7° | 65.9° |
| C16 | N02 | C22 | H27 | 52.8° | 65.9° |
| C16 | N02 | C22 | H26 | 69.5° | 54.1° |
| N02 | C17 | C18 | H18 | 120.3° | 120.0° |
| N02 | C17 | C18 | H17 | 120.3° | 120.0° |
| N02 | C17 | C18 | C19 | 7.6° | 59.2° |
| C17 | N02 | C22 | C20 | 78.1° | 61.7° |
| C17 | N02 | C16 | H15 | 36.4° | 173.9° |
| C17 | N02 | C16 | H16 | 152.1° | 53.9° |
| N02 | C17 | H18 | H17 | 119.0° | 120.0° |
| N02 | C17 | C18 | H20 | 128.8° | 179.1° |
| N02 | C17 | C18 | H19 | 113.6° | 60.8° |
| C17 | N02 | C22 | H27 | 163.1° | 58.2° |
| C17 | N02 | C22 | H26 | 40.8° | 178.3° |
| C22 | N02 | C17 | C18 | 46.7° | 61.8° |
| N02 | C22 | C20 | C19 | 66.3° | 59.2° |
| N02 | C22 | C20 | C21 | 173.6° | 179.1° |
| N02 | C22 | C20 | H27 | 118.9° | 120.0° |
| N02 | C22 | C20 | H26 | 118.9° | 120.0° |
| C22 | N02 | C16 | H15 | 157.2° | 49.7° |
| C22 | N02 | C16 | H16 | 87.1° | 70.3° |
| C22 | N02 | C17 | H18 | 73.6° | 178.3° |
| C22 | N02 | C17 | H17 | 167.0° | 58.3° |
| N02 | C22 | C20 | H02 | 53.1° | 60.8° |
| N02 | C22 | H27 | H26 | 123.2° | 120.0° |
| C17 | C18 | C19 | H20 | 121.2° | 119.9° |
| C17 | C18 | C19 | H19 | 121.2° | 119.9° |
| C17 | C18 | C19 | C20 | 4.2° | 57.7° |
| C18 | C17 | H18 | H17 | 119.1° | 120.0° |
| C17 | C18 | H20 | H19 | 116.2° | 120.1° |
| C17 | C18 | C19 | H21 | 116.8° | 62.2° |
| C17 | C18 | C19 | H22 | 125.1° | 177.6° |
| C18 | C19 | C20 | H21 | 121.0° | 119.9° |
| C18 | C19 | C20 | H22 | 121.0° | 119.9° |
| C18 | C19 | C20 | C21 | 154.0° | 177.6° |
| C18 | C19 | C20 | C22 | 33.5° | 57.7° |
| C19 | C18 | C17 | H18 | 112.8° | 179.2° |
| C19 | C18 | C17 | H17 | 127.8° | 60.8° |
| C19 | C18 | H20 | H19 | 116.1° | 120.1° |
| C18 | C19 | H21 | H22 | 116.9° | 120.2° |
| C18 | C19 | C20 | H02 | 85.9° | 62.3° |
| C19 | C20 | C21 | C22 | 119.5° | 119.8° |
| C19 | C20 | C21 | H02 | 120.0° | 120.1° |
| C19 | C20 | C22 | H02 | 119.4° | 120.0° |
| C20 | C19 | C18 | H20 | 125.4° | 177.6° |
| C20 | C19 | C18 | H19 | 117.1° | 62.3° |
| C20 | C19 | H21 | H22 | 116.9° | 120.1° |
| C19 | C20 | C21 | H23 | 180.0° | 60.0° |
| C19 | C20 | C21 | H25 | 60.0° | 180.0° |
| C19 | C20 | C21 | H24 | 60.0° | 60.0° |
| C19 | C20 | C22 | H27 | 174.8° | 60.8° |
| C19 | C20 | C22 | H26 | 52.6° | 179.2° |
| C21 | C20 | C22 | H02 | 120.5° | 120.1° |
| C21 | C20 | C19 | H21 | 33.1° | 57.7° |
| C21 | C20 | C19 | H22 | 85.0° | 62.5° |
| C20 | C21 | H23 | H25 | 120.0° | 120.1° |
| C20 | C21 | H23 | H24 | 120.0° | 120.0° |
| C20 | C21 | H25 | H24 | 120.0° | 120.0° |
| C21 | C20 | C22 | H27 | 54.7° | 59.1° |
| C21 | C20 | C22 | H26 | 67.5° | 60.9° |
| C22 | C20 | C19 | H21 | 87.4° | 62.2° |
| C22 | C20 | C19 | H22 | 154.5° | 177.6° |
| C22 | C20 | C21 | H23 | 60.5° | 179.8° |
| C22 | C20 | C21 | H25 | 59.5° | 60.2° |
| C22 | C20 | C21 | H24 | 179.5° | 59.8° |
| C20 | C22 | H27 | H26 | 123.2° | 120.0° |
| C23 | C24 | C25 | H29 | 180.0° | 180.0° |
| C23 | C24 | C25 | F01 | 179.6° | 180.0° |
| C25 | C24 | C23 | H28 | 177.8° | 180.0° |
| F01 | C25 | C24 | H29 | 0.4° | 0.0° |
| O01 | C26 | N03 | H30 | 0.3° | 0.0° |
| C27 | C28 | C29 | H32 | 180.0° | 179.7° |
| C27 | C28 | C29 | H33 | 179.5° | 179.7° |
| C29 | C28 | C27 | H31 | 173.6° | 179.8° |
| N04 | N05 | C30 | H34 | 180.0° | 179.9° |
| H04 | C01 | H05 | H03 | 120.0° | 119.9° |
| H07 | C04 | C05 | H01 | 16.2° | 25.4° |
| H06 | C04 | C05 | H01 | 145.2° | 156.2° |
| H01 | C05 | C06 | H10 | 56.2° | 168.8° |
| H01 | C05 | C06 | H08 | 63.8° | 48.7° |
| H01 | C05 | C06 | H09 | 176.2° | 71.3° |
| H01 | C05 | C07 | H12 | 145.2° | 156.3° |
| H01 | C05 | C07 | H11 | 16.2° | 25.3° |
| H10 | C06 | H08 | H09 | 120.0° | 120.0° |
| H18 | C17 | C18 | H20 | 8.4° | 60.9° |
| H18 | C17 | C18 | H19 | 126.0° | 59.2° |
| H17 | C17 | C18 | H20 | 111.0° | 59.1° |
| H17 | C17 | C18 | H19 | 6.6° | 179.3° |
| H20 | C18 | C19 | H21 | 4.4° | 57.7° |
| H20 | C18 | C19 | H22 | 113.7° | 62.5° |
| H19 | C18 | C19 | H21 | 122.0° | 177.8° |
| H19 | C18 | C19 | H22 | 3.9° | 57.6° |
| H21 | C19 | C20 | H02 | 153.1° | 177.8° |
| H22 | C19 | C20 | H02 | 35.1° | 57.6° |
| H02 | C20 | C21 | H23 | 60.0° | 60.1° |
| H02 | C20 | C21 | H25 | 180.0° | 59.9° |
| H02 | C20 | C21 | H24 | 60.0° | 179.9° |
| H02 | C20 | C22 | H27 | 65.8° | 179.2° |
| H02 | C20 | C22 | H26 | 172.0° | 59.2° |
| H23 | C21 | H25 | H24 | 120.0° | 120.0° |
| H28 | C23 | C24 | H29 | 2.2° | 0.0° |
| H31 | C27 | C28 | H32 | 6.4° | 0.1° |
| H32 | C28 | C29 | H33 | 0.5° | 0.0° |
