4QC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.48Å | 1.46Å | |
| C1 | C | sing | 1.40Å | 1.46Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.48Å | Aromatic |
| C2 | O2 | doub | 1.22Å | 1.46Å | |
| C2 | N1 | sing | 1.35Å | 1.28Å | |
| C3 | C | doub | 1.38Å | 1.45Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.47Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C10 | sing | 1.51Å | 1.52Å | |
| C7 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C24 | sing | 1.51Å | 1.52Å | |
| C9 | C13 | sing | 1.47Å | 1.42Å | |
| C9 | N2 | sing | 1.35Å | 1.38Å | Aromatic |
| C10 | F | sing | 1.40Å | 1.29Å | |
| C10 | F1 | sing | 1.40Å | 1.32Å | |
| C10 | F2 | sing | 1.40Å | 1.32Å | |
| C11 | C25 | sing | 1.51Å | 1.58Å | |
| C11 | N7 | sing | 1.47Å | 1.51Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C24 | sing | 1.53Å | 1.52Å | |
| C12 | N4 | sing | 1.46Å | 1.48Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | O1 | doub | 1.22Å | 1.24Å | |
| C13 | N4 | sing | 1.35Å | 1.36Å | |
| C14 | C15 | sing | 1.39Å | 1.49Å | Aromatic |
| C14 | C19 | doub | 1.39Å | 1.48Å | Aromatic |
| C14 | N4 | sing | 1.40Å | 1.40Å | |
| C15 | C16 | doub | 1.38Å | 1.46Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.39Å | 1.49Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | C18 | sing | 1.38Å | 1.46Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | N7 | sing | 1.47Å | 1.49Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.38Å | 1.47Å | Aromatic |
| C21 | C27 | doub | 1.39Å | 1.48Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C28 | doub | 1.38Å | 1.48Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C27 | C17 | sing | 1.48Å | 1.54Å | Aromatic |
| C27 | C25 | sing | 1.39Å | 1.50Å | Aromatic |
| N2 | N3 | sing | 1.41Å | 1.39Å | Aromatic |
| N2 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C | H | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.39Å | 1.47Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.39Å | 1.46Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.39Å | 1.49Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | C29 | doub | 1.38Å | 1.47Å | Aromatic |
| N7 | C23 | sing | 1.47Å | 1.48Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| N1 | HN11 | sing | 0.97Å | 1.00Å | |
| N1 | HN12 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.38Å | 1.47Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C | 119.0° | 120.1° |
| C2 | C1 | C6 | 117.3° | 120.2° |
| C1 | C2 | O2 | 128.9° | 120.0° |
| C1 | C2 | N1 | 113.4° | 120.0° |
| C | C1 | C6 | 123.6° | 119.8° |
| C1 | C | C3 | 117.3° | 120.0° |
| C1 | C | H | 121.4° | 120.0° |
| C1 | C6 | C5 | 118.8° | 119.8° |
| C1 | C6 | H6 | 120.6° | 120.1° |
| O2 | C2 | N1 | 117.7° | 120.0° |
| C2 | N1 | HN11 | 125.7° | 120.0° |
| C2 | N1 | HN12 | 108.7° | 120.0° |
| C | C3 | C4 | 120.1° | 120.3° |
| C | C3 | H3 | 119.9° | 119.9° |
| C3 | C | H | 121.3° | 120.0° |
| C4 | C3 | H3 | 120.0° | 119.9° |
| C3 | C4 | C5 | 122.7° | 120.2° |
| C3 | C4 | H4 | 118.7° | 119.9° |
| C8 | C7 | C10 | 123.6° | 125.7° |
| C8 | C7 | N3 | 106.1° | 108.6° |
| C7 | C8 | C9 | 108.7° | 107.6° |
| C7 | C8 | C24 | 131.6° | 130.9° |
| C10 | C7 | N3 | 130.2° | 125.7° |
| C7 | C10 | F | 106.0° | 109.5° |
| C7 | C10 | F1 | 112.2° | 109.5° |
| C7 | C10 | F2 | 108.6° | 109.5° |
| C7 | N3 | N2 | 110.5° | 108.9° |
| C9 | C8 | C24 | 119.4° | 121.4° |
| C8 | C9 | C13 | 122.1° | 120.6° |
| C8 | C9 | N2 | 106.9° | 107.4° |
| C8 | C24 | C12 | 109.4° | 108.8° |
| C8 | C24 | H241 | 109.5° | 109.6° |
| C8 | C24 | H242 | 109.5° | 109.6° |
| C13 | C9 | N2 | 131.0° | 132.0° |
| C9 | C13 | O1 | 123.2° | 121.6° |
| C9 | C13 | N4 | 118.8° | 116.8° |
| C9 | N2 | N3 | 107.8° | 107.4° |
| C9 | N2 | C5 | 127.8° | 126.3° |
| F | C10 | F1 | 110.5° | 109.5° |
| F | C10 | F2 | 110.1° | 109.4° |
| F1 | C10 | F2 | 109.4° | 109.5° |
| C25 | C11 | N7 | 125.8° | 109.5° |
| C25 | C11 | H111 | 100.5° | 109.5° |
| C25 | C11 | H112 | 104.4° | 109.5° |
| C11 | C25 | C27 | 121.0° | 120.0° |
| C11 | C25 | C29 | 117.2° | 120.1° |
| N7 | C11 | H111 | 100.5° | 109.4° |
| N7 | C11 | H112 | 104.4° | 109.5° |
| C11 | N7 | C20 | 120.2° | 106.7° |
| C11 | N7 | C23 | 114.5° | 106.7° |
| H111 | C11 | H112 | 123.4° | 109.5° |
| C24 | C12 | N4 | 113.0° | 112.7° |
| C24 | C12 | H121 | 107.5° | 108.8° |
| C24 | C12 | H122 | 108.3° | 108.8° |
| C12 | C24 | H241 | 109.5° | 109.6° |
| C12 | C24 | H242 | 109.5° | 109.6° |
| N4 | C12 | H121 | 107.5° | 108.9° |
| N4 | C12 | H122 | 108.3° | 108.9° |
| C12 | N4 | C13 | 119.7° | 122.5° |
| C12 | N4 | C14 | 123.3° | 118.7° |
| H121 | C12 | H122 | 112.3° | 108.7° |
| O1 | C13 | N4 | 118.0° | 121.5° |
| C13 | N4 | C14 | 116.5° | 118.7° |
| C15 | C14 | C19 | 120.5° | 120.1° |
| C15 | C14 | N4 | 120.9° | 120.0° |
| C14 | C15 | C16 | 118.8° | 120.1° |
| C14 | C15 | H15 | 120.6° | 120.0° |
| C19 | C14 | N4 | 118.6° | 119.9° |
| C14 | C19 | C18 | 120.2° | 120.0° |
| C14 | C19 | H19 | 119.9° | 120.0° |
| C16 | C15 | H15 | 120.6° | 119.9° |
| C15 | C16 | C17 | 121.1° | 119.9° |
| C15 | C16 | H16 | 119.4° | 120.0° |
| C17 | C16 | H16 | 119.5° | 120.1° |
| C16 | C17 | C27 | 118.9° | 120.1° |
| C16 | C17 | C18 | 119.3° | 119.9° |
| C18 | C19 | H19 | 119.9° | 120.0° |
| C19 | C18 | C17 | 119.8° | 119.9° |
| C19 | C18 | H18 | 120.1° | 120.0° |
| N7 | C20 | H201 | 109.5° | 109.5° |
| N7 | C20 | H202 | 109.4° | 109.5° |
| N7 | C20 | H203 | 109.5° | 109.5° |
| C20 | N7 | C23 | 105.3° | 106.7° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| C22 | C21 | C27 | 119.6° | 119.8° |
| C22 | C21 | H21 | 120.2° | 120.1° |
| C21 | C22 | C28 | 123.6° | 120.1° |
| C21 | C22 | H22 | 118.2° | 119.9° |
| C27 | C21 | H21 | 120.2° | 120.1° |
| C21 | C27 | C17 | 117.7° | 120.1° |
| C21 | C27 | C25 | 117.3° | 119.7° |
| C28 | C22 | H22 | 118.2° | 119.9° |
| C22 | C28 | C29 | 116.5° | 120.2° |
| C22 | C28 | H28 | 121.7° | 119.9° |
| H241 | C24 | H242 | 109.4° | 109.6° |
| C17 | C27 | C25 | 124.9° | 120.1° |
| C27 | C17 | C18 | 121.8° | 120.0° |
| C27 | C25 | C29 | 121.8° | 119.9° |
| N3 | N2 | C5 | 123.9° | 126.3° |
| N2 | C5 | C4 | 121.7° | 120.0° |
| N2 | C5 | C6 | 120.8° | 120.0° |
| C5 | C4 | H4 | 118.7° | 119.8° |
| C4 | C5 | C6 | 117.5° | 120.0° |
| C5 | C6 | H6 | 120.6° | 120.1° |
| C17 | C18 | H18 | 120.1° | 120.1° |
| C25 | C29 | C28 | 121.1° | 120.1° |
| C25 | C29 | H29 | 119.5° | 119.9° |
| N7 | C23 | H231 | 109.5° | 109.5° |
| N7 | C23 | H232 | 109.5° | 109.5° |
| N7 | C23 | H233 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.4° | 109.5° |
| HN11 | N1 | HN12 | 125.6° | 120.0° |
| C29 | C28 | H28 | 121.7° | 119.9° |
| C28 | C29 | H29 | 119.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C | C6 | 176.8° | 179.7° |
| C1 | C2 | O2 | N1 | 179.2° | 179.9° |
| C2 | C1 | C | C3 | 176.2° | 180.0° |
| C2 | C1 | C | H | 3.8° | 0.1° |
| C2 | C1 | C6 | C5 | 176.3° | 179.8° |
| C2 | C1 | C6 | H6 | 3.7° | 0.2° |
| C1 | C2 | N1 | HN11 | 0.0° | 0.0° |
| C1 | C2 | N1 | HN12 | 180.0° | 180.0° |
| C | C1 | C2 | O2 | 9.6° | 180.0° |
| C | C1 | C2 | N1 | 169.7° | 0.0° |
| C1 | C | C3 | H | 180.0° | 180.0° |
| C1 | C | C3 | C4 | 0.3° | 0.0° |
| C1 | C | C3 | H3 | 179.6° | 180.0° |
| C | C1 | C6 | C5 | 0.5° | 0.5° |
| C | C1 | C6 | H6 | 179.5° | 180.0° |
| C6 | C1 | C2 | O2 | 173.4° | 0.3° |
| C6 | C1 | C2 | N1 | 7.3° | 179.8° |
| C6 | C1 | C | C3 | 0.5° | 0.2° |
| C1 | C6 | C5 | N2 | 179.6° | 179.7° |
| C6 | C1 | C | H | 179.5° | 179.8° |
| C1 | C6 | C5 | C4 | 0.3° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 179.5° |
| O2 | C2 | N1 | HN11 | 179.3° | 180.0° |
| O2 | C2 | N1 | HN12 | 0.6° | 0.1° |
| C2 | N1 | HN11 | HN12 | 180.0° | 180.0° |
| C | C3 | C4 | H3 | 180.0° | 180.0° |
| C | C3 | C4 | C5 | 0.2° | 0.0° |
| C | C3 | C4 | H4 | 179.8° | 180.0° |
| C3 | C4 | C5 | N2 | 179.7° | 180.0° |
| C4 | C3 | C | H | 179.6° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| H3 | C3 | C | H | 0.4° | 0.0° |
| H3 | C3 | C4 | C5 | 179.8° | 180.0° |
| H3 | C3 | C4 | H4 | 0.2° | 0.0° |
| C8 | C7 | C10 | N3 | 175.7° | 180.0° |
| C7 | C8 | C9 | C24 | 174.7° | 180.0° |
| C7 | C8 | C9 | C13 | 176.3° | 179.1° |
| C7 | C8 | C9 | N2 | 2.4° | 0.5° |
| C8 | C7 | C10 | F | 69.9° | 175.0° |
| C8 | C7 | C10 | F1 | 50.8° | 55.0° |
| C8 | C7 | C10 | F2 | 171.8° | 65.0° |
| C7 | C8 | C24 | C12 | 155.7° | 151.5° |
| C7 | C8 | C24 | H241 | 35.7° | 31.7° |
| C7 | C8 | C24 | H242 | 84.3° | 88.6° |
| C8 | C7 | N3 | N2 | 0.5° | 0.0° |
| C10 | C7 | C8 | C9 | 174.8° | 179.7° |
| C10 | C7 | C8 | C24 | 11.4° | 0.4° |
| C7 | C10 | F | F1 | 121.8° | 120.0° |
| C7 | C10 | F | F2 | 117.3° | 120.0° |
| C7 | C10 | F1 | F2 | 120.5° | 120.0° |
| C10 | C7 | N3 | N2 | 175.8° | 180.0° |
| N3 | C7 | C8 | C9 | 1.8° | 0.3° |
| N3 | C7 | C8 | C24 | 172.0° | 179.6° |
| C7 | N3 | N2 | C9 | 1.0° | 0.3° |
| N3 | C7 | C10 | F | 114.4° | 5.0° |
| N3 | C7 | C10 | F1 | 124.9° | 125.0° |
| N3 | C7 | C10 | F2 | 3.9° | 115.0° |
| C7 | N3 | N2 | C5 | 171.3° | 179.7° |
| C8 | C9 | C13 | N2 | 178.4° | 179.5° |
| C9 | C8 | C24 | C12 | 31.0° | 28.5° |
| C8 | C9 | C13 | O1 | 178.3° | 170.8° |
| C8 | C9 | C13 | N4 | 1.5° | 9.6° |
| C9 | C8 | C24 | H241 | 151.0° | 148.4° |
| C9 | C8 | C24 | H242 | 89.0° | 91.3° |
| C8 | C9 | N2 | N3 | 2.1° | 0.5° |
| C8 | C9 | N2 | C5 | 169.9° | 179.5° |
| C24 | C8 | C9 | C13 | 9.0° | 0.9° |
| C24 | C8 | C9 | N2 | 172.3° | 179.4° |
| C8 | C24 | C12 | H241 | 120.0° | 119.8° |
| C8 | C24 | C12 | H242 | 120.0° | 119.8° |
| C8 | C24 | C12 | N4 | 46.1° | 46.0° |
| C8 | C24 | C12 | H121 | 72.3° | 74.8° |
| C8 | C24 | C12 | H122 | 166.1° | 166.9° |
| C8 | C24 | H241 | H242 | 120.0° | 120.3° |
| C9 | C13 | N4 | C12 | 19.3° | 11.7° |
| C9 | C13 | O1 | N4 | 179.7° | 179.6° |
| C9 | C13 | N4 | C14 | 168.5° | 168.1° |
| C13 | C9 | N2 | N3 | 176.5° | 179.1° |
| C13 | C9 | N2 | C5 | 11.6° | 0.9° |
| N2 | C9 | C13 | O1 | 0.1° | 9.7° |
| N2 | C9 | C13 | N4 | 179.9° | 170.0° |
| C9 | N2 | N3 | C5 | 172.3° | 180.0° |
| C9 | N2 | C5 | C4 | 90.0° | 40.0° |
| C9 | N2 | C5 | C6 | 90.1° | 139.8° |
| F | C10 | F1 | F2 | 121.4° | 120.0° |
| C25 | C11 | N7 | H111 | 111.3° | 120.0° |
| C25 | C11 | N7 | H112 | 120.0° | 120.0° |
| C25 | C11 | H111 | H112 | 115.1° | 120.0° |
| C25 | C11 | N7 | C20 | 76.8° | 173.4° |
| C11 | C25 | C27 | C21 | 174.7° | 179.7° |
| C11 | C25 | C27 | C17 | 9.4° | 0.2° |
| C11 | C25 | C27 | C29 | 177.3° | 179.7° |
| C25 | C11 | N7 | C23 | 156.3° | 72.8° |
| C11 | C25 | C29 | C28 | 175.4° | 180.0° |
| C11 | C25 | C29 | H29 | 4.6° | 0.0° |
| N7 | C11 | H111 | H112 | 115.1° | 120.0° |
| C11 | N7 | C20 | C23 | 131.0° | 113.8° |
| C11 | N7 | C20 | H201 | 110.5° | 180.0° |
| C11 | N7 | C20 | H202 | 129.5° | 60.0° |
| C11 | N7 | C20 | H203 | 9.5° | 60.0° |
| N7 | C11 | C25 | C27 | 177.4° | 74.4° |
| N7 | C11 | C25 | C29 | 5.2° | 105.9° |
| C11 | N7 | C23 | H231 | 49.4° | 61.5° |
| C11 | N7 | C23 | H232 | 70.6° | 178.5° |
| C11 | N7 | C23 | H233 | 169.4° | 58.4° |
| H111 | C11 | N7 | C20 | 171.9° | 66.6° |
| H111 | C11 | C25 | C27 | 66.1° | 165.7° |
| H111 | C11 | C25 | C29 | 116.5° | 14.1° |
| H111 | C11 | N7 | C23 | 45.0° | 47.2° |
| H112 | C11 | N7 | C20 | 43.2° | 53.4° |
| H112 | C11 | C25 | C27 | 62.6° | 45.6° |
| H112 | C11 | C25 | C29 | 114.8° | 134.1° |
| H112 | C11 | N7 | C23 | 83.7° | 167.2° |
| C24 | C12 | N4 | H121 | 118.4° | 120.8° |
| C24 | C12 | N4 | H122 | 120.0° | 120.8° |
| C24 | C12 | H121 | H122 | 119.0° | 118.3° |
| C24 | C12 | N4 | C13 | 43.2° | 41.1° |
| C24 | C12 | N4 | C14 | 145.2° | 138.7° |
| C12 | C24 | H241 | H242 | 120.0° | 120.4° |
| N4 | C12 | H121 | H122 | 119.0° | 118.5° |
| C12 | N4 | C13 | O1 | 160.5° | 167.9° |
| C12 | N4 | C13 | C14 | 172.2° | 179.8° |
| C12 | N4 | C14 | C15 | 100.0° | 65.9° |
| C12 | N4 | C14 | C19 | 81.5° | 114.0° |
| N4 | C12 | C24 | H241 | 166.1° | 165.9° |
| N4 | C12 | C24 | H242 | 73.9° | 73.7° |
| H121 | C12 | N4 | C13 | 75.3° | 79.8° |
| H121 | C12 | N4 | C14 | 96.3° | 100.4° |
| H121 | C12 | C24 | H241 | 47.7° | 45.0° |
| H121 | C12 | C24 | H242 | 167.7° | 165.4° |
| H122 | C12 | N4 | C13 | 163.1° | 161.8° |
| H122 | C12 | N4 | C14 | 25.3° | 18.0° |
| H122 | C12 | C24 | H241 | 73.9° | 73.3° |
| H122 | C12 | C24 | H242 | 46.1° | 47.1° |
| O1 | C13 | N4 | C14 | 11.7° | 12.3° |
| C13 | N4 | C14 | C15 | 71.8° | 114.3° |
| C13 | N4 | C14 | C19 | 106.6° | 65.8° |
| C15 | C14 | C19 | N4 | 178.4° | 179.9° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.1° | 0.5° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C15 | C14 | C19 | C18 | 4.1° | 0.1° |
| C15 | C14 | C19 | H19 | 176.0° | 180.0° |
| C19 | C14 | C15 | C16 | 4.1° | 0.3° |
| C19 | C14 | C15 | H15 | 175.9° | 180.0° |
| C14 | C19 | C18 | H19 | 180.0° | 179.9° |
| C14 | C19 | C18 | C17 | 0.1° | 0.1° |
| C14 | C19 | C18 | H18 | 179.8° | 180.0° |
| N4 | C14 | C15 | C16 | 177.5° | 179.8° |
| N4 | C14 | C15 | H15 | 2.5° | 0.0° |
| N4 | C14 | C19 | C18 | 177.5° | 180.0° |
| N4 | C14 | C19 | H19 | 2.5° | 0.1° |
| C15 | C16 | C17 | H16 | 180.0° | 179.5° |
| C15 | C16 | C17 | C27 | 175.5° | 179.8° |
| C15 | C16 | C17 | C18 | 4.2° | 0.5° |
| H15 | C15 | C16 | C17 | 179.9° | 179.7° |
| H15 | C15 | C16 | H16 | 0.1° | 0.2° |
| C16 | C17 | C18 | C19 | 4.2° | 0.3° |
| C16 | C17 | C27 | C21 | 113.1° | 123.3° |
| C16 | C17 | C27 | C18 | 179.7° | 179.7° |
| C16 | C17 | C27 | C25 | 62.8° | 57.3° |
| C16 | C17 | C18 | H18 | 175.8° | 179.7° |
| H16 | C16 | C17 | C27 | 4.5° | 0.2° |
| H16 | C16 | C17 | C18 | 175.8° | 180.0° |
| C19 | C18 | C17 | C27 | 175.5° | 180.0° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| H19 | C19 | C18 | C17 | 179.8° | 180.0° |
| H19 | C19 | C18 | H18 | 0.2° | 0.0° |
| N7 | C20 | H201 | H202 | 120.0° | 120.0° |
| N7 | C20 | H201 | H203 | 120.0° | 120.0° |
| N7 | C20 | H202 | H203 | 120.0° | 120.0° |
| C20 | N7 | C23 | H231 | 176.3° | 175.3° |
| C20 | N7 | C23 | H232 | 63.6° | 64.7° |
| C20 | N7 | C23 | H233 | 56.3° | 55.3° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| H201 | C20 | N7 | C23 | 118.5° | 66.2° |
| H202 | C20 | N7 | C23 | 1.5° | 173.8° |
| H203 | C20 | N7 | C23 | 121.5° | 53.8° |
| C22 | C21 | C27 | H21 | 180.0° | 179.7° |
| C21 | C22 | C28 | H22 | 180.0° | 180.0° |
| C22 | C21 | C27 | C17 | 174.5° | 180.0° |
| C22 | C21 | C27 | C25 | 1.8° | 0.6° |
| C21 | C22 | C28 | C29 | 0.4° | 0.0° |
| C21 | C22 | C28 | H28 | 179.5° | 180.0° |
| C27 | C21 | C22 | C28 | 0.3° | 0.3° |
| C27 | C21 | C22 | H22 | 179.7° | 179.7° |
| C21 | C27 | C17 | C25 | 175.9° | 179.4° |
| C21 | C27 | C17 | C18 | 67.2° | 56.5° |
| C21 | C27 | C25 | C29 | 2.6° | 0.6° |
| H21 | C21 | C22 | C28 | 179.7° | 180.0° |
| H21 | C21 | C22 | H22 | 0.3° | 0.0° |
| H21 | C21 | C27 | C17 | 5.5° | 0.3° |
| H21 | C21 | C27 | C25 | 178.2° | 179.7° |
| C22 | C28 | C29 | C25 | 0.4° | 0.0° |
| C22 | C28 | C29 | H28 | 180.0° | 180.0° |
| C22 | C28 | C29 | H29 | 179.6° | 180.0° |
| H22 | C22 | C28 | C29 | 179.6° | 180.0° |
| H22 | C22 | C28 | H28 | 0.5° | 0.0° |
| C27 | C17 | C18 | H18 | 4.6° | 0.0° |
| C17 | C27 | C25 | C29 | 173.3° | 180.0° |
| C25 | C27 | C17 | C18 | 116.9° | 123.0° |
| C27 | C25 | C29 | C28 | 2.0° | 0.3° |
| C27 | C25 | C29 | H29 | 178.0° | 179.7° |
| N3 | N2 | C5 | C4 | 99.2° | 140.0° |
| N3 | N2 | C5 | C6 | 80.7° | 40.3° |
| N2 | C5 | C4 | C6 | 179.9° | 179.8° |
| N2 | C5 | C4 | H4 | 0.3° | 0.1° |
| N2 | C5 | C6 | H6 | 0.4° | 0.2° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| H4 | C4 | C5 | C6 | 179.8° | 179.7° |
| C25 | C29 | C28 | H29 | 180.0° | 180.0° |
| C25 | C29 | C28 | H28 | 179.6° | 180.0° |
| N7 | C23 | H231 | H232 | 120.0° | 120.0° |
| N7 | C23 | H231 | H233 | 120.0° | 120.0° |
| N7 | C23 | H232 | H233 | 120.0° | 120.0° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| H28 | C28 | C29 | H29 | 0.4° | 0.0° |
