03R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | doub | 1.32Å | 1.38Å | Aromatic |
| C1 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C1 | O4 | sing | 1.36Å | 1.37Å | |
| N2 | C5 | sing | 1.33Å | 1.38Å | Aromatic |
| C3 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | F7 | sing | 1.35Å | 1.30Å | |
| O4 | C8 | sing | 1.36Å | 1.36Å | |
| C5 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | O10 | sing | 1.36Å | 1.34Å | |
| C6 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | N11 | sing | 1.40Å | 1.36Å | |
| C8 | C12 | sing | 1.40Å | 1.45Å | Aromatic |
| C8 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | F14 | sing | 1.35Å | 1.30Å | |
| O10 | C15 | sing | 1.36Å | 1.33Å | |
| N11 | C16 | sing | 1.47Å | 1.45Å | |
| N11 | H11 | sing | 1.01Å | 1.00Å | |
| C12 | C17 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | C18 | sing | 1.47Å | 1.40Å | |
| C13 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C15 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C22 | sing | 1.53Å | 1.53Å | |
| C16 | C23 | sing | 1.53Å | 1.56Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | O25 | doub | 1.35Å | 1.25Å | |
| C18 | O26 | sing | 1.21Å | 1.35Å | |
| C19 | C24 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C27 | doub | 1.39Å | 1.42Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C28 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C29 | sing | 1.53Å | 1.55Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| O26 | H26 | sing | 5.38Å | 0.95Å | |
| C27 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C31 | sing | 1.48Å | 1.41Å | |
| C28 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C32 | sing | 1.51Å | 1.48Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | N33 | doub | 1.38Å | 1.35Å | |
| C31 | N34 | sing | 1.30Å | 1.35Å | |
| C32 | C35 | sing | 1.38Å | 1.42Å | Aromatic |
| C32 | C36 | doub | 1.38Å | 1.42Å | Aromatic |
| N33 | H33 | sing | 0.97Å | 1.00Å | |
| N34 | H341 | sing | 4.35Å | 1.00Å | |
| N34 | H342 | sing | 0.97Å | 1.00Å | |
| C35 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C38 | sing | 1.38Å | 1.41Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | C39 | sing | 1.38Å | 1.41Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | doub | 1.38Å | 1.41Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C3 | 118.5° | 120.8° |
| N2 | C1 | O4 | 126.2° | 119.6° |
| C1 | N2 | C5 | 120.7° | 121.8° |
| C3 | C1 | O4 | 115.3° | 119.6° |
| C1 | C3 | C6 | 121.1° | 119.1° |
| C1 | C3 | F7 | 118.3° | 120.5° |
| C1 | O4 | C8 | 128.8° | 106.8° |
| N2 | C5 | C9 | 119.7° | 120.8° |
| N2 | C5 | O10 | 130.1° | 119.6° |
| C6 | C3 | F7 | 120.6° | 120.5° |
| C3 | C6 | C9 | 118.0° | 118.4° |
| C3 | C6 | N11 | 119.7° | 120.8° |
| O4 | C8 | C12 | 128.0° | 120.2° |
| O4 | C8 | C13 | 112.3° | 120.2° |
| C9 | C5 | O10 | 110.2° | 119.6° |
| C5 | C9 | C6 | 121.9° | 119.1° |
| C5 | C9 | F14 | 117.4° | 120.4° |
| C5 | O10 | C15 | 136.0° | 106.8° |
| C9 | C6 | N11 | 122.3° | 120.8° |
| C6 | C9 | F14 | 120.7° | 120.4° |
| C6 | N11 | C16 | 128.7° | 106.7° |
| C6 | N11 | H11 | 103.5° | 106.7° |
| C12 | C8 | C13 | 119.7° | 119.7° |
| C8 | C12 | C17 | 118.2° | 119.6° |
| C8 | C12 | C18 | 124.3° | 120.2° |
| C8 | C13 | C19 | 120.6° | 120.1° |
| C8 | C13 | H13 | 119.7° | 119.9° |
| O10 | C15 | C20 | 120.6° | 120.0° |
| O10 | C15 | C21 | 120.0° | 120.0° |
| C16 | N11 | H11 | 103.5° | 106.7° |
| N11 | C16 | C22 | 112.0° | 109.5° |
| N11 | C16 | C23 | 114.5° | 109.5° |
| N11 | C16 | H16 | 104.1° | 109.5° |
| C17 | C12 | C18 | 117.5° | 120.2° |
| C12 | C17 | C24 | 121.2° | 119.8° |
| C12 | C17 | H17 | 119.4° | 120.1° |
| C12 | C18 | O25 | 121.2° | 120.0° |
| C12 | C18 | O26 | 121.9° | 120.0° |
| C19 | C13 | H13 | 119.7° | 119.9° |
| C13 | C19 | C24 | 120.1° | 120.3° |
| C13 | C19 | H19 | 120.0° | 119.8° |
| C20 | C15 | C21 | 119.2° | 120.0° |
| C15 | C20 | C27 | 121.0° | 119.8° |
| C15 | C20 | H20 | 119.5° | 120.1° |
| C15 | C21 | C28 | 120.8° | 120.2° |
| C15 | C21 | H21 | 119.6° | 119.8° |
| C22 | C16 | C23 | 109.4° | 109.5° |
| C22 | C16 | H16 | 109.7° | 109.5° |
| C16 | C22 | C29 | 118.7° | 109.4° |
| C16 | C22 | H221 | 104.4° | 109.5° |
| C16 | C22 | H222 | 106.5° | 109.5° |
| C23 | C16 | H16 | 106.9° | 109.5° |
| C16 | C23 | H231 | 109.4° | 109.5° |
| C16 | C23 | H232 | 109.5° | 109.5° |
| C16 | C23 | H233 | 109.5° | 109.5° |
| C24 | C17 | H17 | 119.4° | 120.1° |
| C17 | C24 | C19 | 120.2° | 120.4° |
| C17 | C24 | H24 | 119.9° | 119.8° |
| O25 | C18 | O26 | 116.9° | 120.0° |
| C18 | O26 | H26 | 109.5° | 102.8° |
| C24 | C19 | H19 | 120.0° | 119.8° |
| C19 | C24 | H24 | 119.9° | 119.8° |
| C27 | C20 | H20 | 119.5° | 120.1° |
| C20 | C27 | C30 | 117.0° | 119.7° |
| C20 | C27 | C31 | 122.9° | 120.1° |
| C28 | C21 | H21 | 119.6° | 119.9° |
| C21 | C28 | C30 | 119.9° | 120.2° |
| C21 | C28 | H28 | 120.1° | 119.9° |
| C29 | C22 | H221 | 104.3° | 109.5° |
| C29 | C22 | H222 | 106.5° | 109.4° |
| C22 | C29 | C32 | 115.3° | 109.5° |
| C22 | C29 | H291 | 106.2° | 109.5° |
| C22 | C29 | H292 | 107.6° | 109.4° |
| H221 | C22 | H222 | 117.1° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.4° | 109.4° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| C30 | C27 | C31 | 120.0° | 120.1° |
| C27 | C30 | C28 | 122.1° | 120.0° |
| C27 | C30 | H30 | 119.0° | 120.0° |
| C27 | C31 | N33 | 121.3° | 120.0° |
| C27 | C31 | N34 | 123.9° | 120.0° |
| C30 | C28 | H28 | 120.1° | 119.9° |
| C28 | C30 | H30 | 119.0° | 120.0° |
| C32 | C29 | H291 | 106.2° | 109.5° |
| C32 | C29 | H292 | 107.6° | 109.4° |
| C29 | C32 | C35 | 120.6° | 119.9° |
| C29 | C32 | C36 | 120.7° | 120.0° |
| H291 | C29 | H292 | 114.1° | 109.5° |
| N33 | C31 | N34 | 114.8° | 120.0° |
| C31 | N33 | H33 | 109.6° | 120.0° |
| C31 | N34 | H341 | 125.2° | 104.5° |
| C31 | N34 | H342 | 109.5° | 120.0° |
| C35 | C32 | C36 | 118.8° | 120.1° |
| C32 | C35 | C37 | 120.8° | 119.9° |
| C32 | C35 | H35 | 119.6° | 120.0° |
| C32 | C36 | C38 | 120.5° | 120.0° |
| C32 | C36 | H36 | 119.7° | 120.0° |
| H341 | N34 | H342 | 125.2° | 134.7° |
| C37 | C35 | H35 | 119.6° | 120.1° |
| C35 | C37 | C39 | 120.0° | 120.1° |
| C35 | C37 | H37 | 120.0° | 120.0° |
| C38 | C36 | H36 | 119.8° | 120.0° |
| C36 | C38 | C39 | 120.0° | 120.0° |
| C36 | C38 | H38 | 120.0° | 120.0° |
| C39 | C37 | H37 | 120.0° | 120.0° |
| C37 | C39 | C38 | 120.0° | 120.0° |
| C37 | C39 | H39 | 120.0° | 120.1° |
| C39 | C38 | H38 | 120.0° | 120.0° |
| C38 | C39 | H39 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C3 | O4 | 178.7° | 179.7° |
| N2 | C1 | C3 | C6 | 0.0° | 0.5° |
| N2 | C1 | C3 | F7 | 179.7° | 180.0° |
| N2 | C1 | O4 | C8 | 6.3° | 56.1° |
| C1 | N2 | C5 | C9 | 1.0° | 0.1° |
| C1 | N2 | C5 | O10 | 176.4° | 180.0° |
| C3 | C1 | N2 | C5 | 0.3° | 0.3° |
| C1 | C3 | C6 | F7 | 179.7° | 179.5° |
| C3 | C1 | O4 | C8 | 175.1° | 124.1° |
| C1 | C3 | C6 | C9 | 0.4° | 0.5° |
| C1 | C3 | C6 | N11 | 179.1° | 179.8° |
| O4 | C1 | N2 | C5 | 178.9° | 180.0° |
| O4 | C1 | C3 | C6 | 178.7° | 179.8° |
| O4 | C1 | C3 | F7 | 1.6° | 0.3° |
| C1 | O4 | C8 | C12 | 50.1° | 172.2° |
| C1 | O4 | C8 | C13 | 127.3° | 7.6° |
| N2 | C5 | C9 | O10 | 177.9° | 179.9° |
| N2 | C5 | C9 | C6 | 1.4° | 0.0° |
| N2 | C5 | C9 | F14 | 179.7° | 179.9° |
| N2 | C5 | O10 | C15 | 6.0° | 60.7° |
| C3 | C6 | C9 | C5 | 1.0° | 0.2° |
| C3 | C6 | C9 | N11 | 179.5° | 179.7° |
| C3 | C6 | C9 | F14 | 179.3° | 179.7° |
| C3 | C6 | N11 | C16 | 129.3° | 120.3° |
| C3 | C6 | N11 | H11 | 110.7° | 125.9° |
| F7 | C3 | C6 | C9 | 180.0° | 180.0° |
| F7 | C3 | C6 | N11 | 0.5° | 0.3° |
| O4 | C8 | C12 | C13 | 177.2° | 179.8° |
| O4 | C8 | C12 | C17 | 175.4° | 179.8° |
| O4 | C8 | C12 | C18 | 8.5° | 0.2° |
| O4 | C8 | C13 | C19 | 176.5° | 180.0° |
| O4 | C8 | C13 | H13 | 3.4° | 0.0° |
| C5 | C9 | C6 | F14 | 178.3° | 179.9° |
| C5 | C9 | C6 | N11 | 178.5° | 180.0° |
| C9 | C5 | O10 | C15 | 176.4° | 119.2° |
| O10 | C5 | C9 | C6 | 176.5° | 180.0° |
| O10 | C5 | C9 | F14 | 1.8° | 0.0° |
| C5 | O10 | C15 | C20 | 127.5° | 6.6° |
| C5 | O10 | C15 | C21 | 57.7° | 173.1° |
| C9 | C6 | N11 | C16 | 50.2° | 60.0° |
| C9 | C6 | N11 | H11 | 69.8° | 53.8° |
| N11 | C6 | C9 | F14 | 0.2° | 0.0° |
| C6 | N11 | C16 | H11 | 120.0° | 113.8° |
| C6 | N11 | C16 | C22 | 118.3° | 155.0° |
| C6 | N11 | C16 | C23 | 6.9° | 85.0° |
| C6 | N11 | C16 | H16 | 123.2° | 35.0° |
| C8 | C12 | C17 | C18 | 176.3° | 179.6° |
| C12 | C8 | C13 | C19 | 1.1° | 0.2° |
| C12 | C8 | C13 | H13 | 178.9° | 179.7° |
| C8 | C12 | C17 | C24 | 0.9° | 0.5° |
| C8 | C12 | C17 | H17 | 179.1° | 179.7° |
| C8 | C12 | C18 | O25 | 153.1° | 179.5° |
| C8 | C12 | C18 | O26 | 27.2° | 0.5° |
| C13 | C8 | C12 | C17 | 1.8° | 0.5° |
| C13 | C8 | C12 | C18 | 174.3° | 180.0° |
| C8 | C13 | C19 | H13 | 180.0° | 180.0° |
| C8 | C13 | C19 | C24 | 0.6° | 0.0° |
| C8 | C13 | C19 | H19 | 179.4° | 180.0° |
| O10 | C15 | C20 | C21 | 174.9° | 179.7° |
| O10 | C15 | C20 | C27 | 175.3° | 179.8° |
| O10 | C15 | C20 | H20 | 4.7° | 0.3° |
| O10 | C15 | C21 | C28 | 175.4° | 180.0° |
| O10 | C15 | C21 | H21 | 4.6° | 0.0° |
| N11 | C16 | C22 | C23 | 128.0° | 120.0° |
| N11 | C16 | C22 | H16 | 115.0° | 120.0° |
| N11 | C16 | C23 | H16 | 114.7° | 120.0° |
| N11 | C16 | C22 | C29 | 21.4° | 65.0° |
| N11 | C16 | C22 | H221 | 94.2° | 175.0° |
| N11 | C16 | C22 | H222 | 141.3° | 55.0° |
| N11 | C16 | C23 | H231 | 11.5° | 60.0° |
| N11 | C16 | C23 | H232 | 131.5° | 180.0° |
| N11 | C16 | C23 | H233 | 108.5° | 60.0° |
| H11 | N11 | C16 | C22 | 1.7° | 41.2° |
| H11 | N11 | C16 | C23 | 126.9° | 161.2° |
| H11 | N11 | C16 | H16 | 116.7° | 78.8° |
| C12 | C17 | C24 | H17 | 180.0° | 179.8° |
| C17 | C12 | C18 | O25 | 30.8° | 0.0° |
| C17 | C12 | C18 | O26 | 148.9° | 180.0° |
| C12 | C17 | C24 | C19 | 0.8° | 0.2° |
| C12 | C17 | C24 | H24 | 179.2° | 179.8° |
| C18 | C12 | C17 | C24 | 175.4° | 180.0° |
| C18 | C12 | C17 | H17 | 4.5° | 0.2° |
| C12 | C18 | O25 | O26 | 179.7° | 180.0° |
| C12 | C18 | O26 | H26 | 179.7° | 5.4° |
| C13 | C19 | C24 | C17 | 1.5° | 0.0° |
| C13 | C19 | C24 | H19 | 180.0° | 180.0° |
| C13 | C19 | C24 | H24 | 178.5° | 179.9° |
| H13 | C13 | C19 | C24 | 179.4° | 180.0° |
| H13 | C13 | C19 | H19 | 0.6° | 0.0° |
| C15 | C20 | C27 | H20 | 180.0° | 179.5° |
| C20 | C15 | C21 | C28 | 0.5° | 0.3° |
| C20 | C15 | C21 | H21 | 179.5° | 179.7° |
| C15 | C20 | C27 | C30 | 0.3° | 0.5° |
| C15 | C20 | C27 | C31 | 179.1° | 179.7° |
| C21 | C15 | C20 | C27 | 0.4° | 0.5° |
| C21 | C15 | C20 | H20 | 179.6° | 180.0° |
| C15 | C21 | C28 | H21 | 180.0° | 180.0° |
| C15 | C21 | C28 | C30 | 0.6° | 0.0° |
| C15 | C21 | C28 | H28 | 179.4° | 180.0° |
| C22 | C16 | C23 | H16 | 118.7° | 120.0° |
| C16 | C22 | C29 | H221 | 115.6° | 120.0° |
| C16 | C22 | C29 | H222 | 120.0° | 119.9° |
| C16 | C22 | H221 | H222 | 117.4° | 120.0° |
| C22 | C16 | C23 | H231 | 138.1° | 60.0° |
| C22 | C16 | C23 | H232 | 101.9° | 60.0° |
| C22 | C16 | C23 | H233 | 18.1° | 180.0° |
| C16 | C22 | C29 | C32 | 102.9° | 180.0° |
| C16 | C22 | C29 | H291 | 139.7° | 60.0° |
| C16 | C22 | C29 | H292 | 17.1° | 60.1° |
| C23 | C16 | C22 | C29 | 149.4° | 175.0° |
| C23 | C16 | C22 | H221 | 33.8° | 55.0° |
| C23 | C16 | C22 | H222 | 90.6° | 65.0° |
| C16 | C23 | H231 | H232 | 120.0° | 120.0° |
| C16 | C23 | H231 | H233 | 120.0° | 120.0° |
| C16 | C23 | H232 | H233 | 120.0° | 120.0° |
| H16 | C16 | C22 | C29 | 93.6° | 55.1° |
| H16 | C16 | C22 | H221 | 150.8° | 65.0° |
| H16 | C16 | C22 | H222 | 26.4° | 175.0° |
| H16 | C16 | C23 | H231 | 103.2° | 180.0° |
| H16 | C16 | C23 | H232 | 16.8° | 60.0° |
| H16 | C16 | C23 | H233 | 136.8° | 60.0° |
| C17 | C24 | C19 | H24 | 180.0° | 179.9° |
| C17 | C24 | C19 | H19 | 178.5° | 180.0° |
| H17 | C17 | C24 | C19 | 179.2° | 179.9° |
| H17 | C17 | C24 | H24 | 0.8° | 0.0° |
| O25 | C18 | O26 | H26 | 0.0° | 174.6° |
| H19 | C19 | C24 | H24 | 1.5° | 0.1° |
| C20 | C27 | C30 | C31 | 178.8° | 179.8° |
| C20 | C27 | C30 | C28 | 0.4° | 0.3° |
| C20 | C27 | C30 | H30 | 179.7° | 179.8° |
| C20 | C27 | C31 | N33 | 121.5° | 179.8° |
| C20 | C27 | C31 | N34 | 58.6° | 0.3° |
| H20 | C20 | C27 | C30 | 179.7° | 180.0° |
| H20 | C20 | C27 | C31 | 0.9° | 0.2° |
| C21 | C28 | C30 | C27 | 0.5° | 0.0° |
| C21 | C28 | C30 | H28 | 180.0° | 179.9° |
| C21 | C28 | C30 | H30 | 179.5° | 179.9° |
| H21 | C21 | C28 | C30 | 179.4° | 180.0° |
| H21 | C21 | C28 | H28 | 0.6° | 0.0° |
| C29 | C22 | H221 | H222 | 117.3° | 120.0° |
| C22 | C29 | C32 | H291 | 117.4° | 120.1° |
| C22 | C29 | C32 | H292 | 120.0° | 119.9° |
| C22 | C29 | H291 | H292 | 118.4° | 120.0° |
| C22 | C29 | C32 | C35 | 84.1° | 90.1° |
| C22 | C29 | C32 | C36 | 95.7° | 90.3° |
| H221 | C22 | C29 | C32 | 12.7° | 60.0° |
| H221 | C22 | C29 | H291 | 104.7° | 180.0° |
| H221 | C22 | C29 | H292 | 132.7° | 60.0° |
| H222 | C22 | C29 | C32 | 137.1° | 60.1° |
| H222 | C22 | C29 | H291 | 19.8° | 59.9° |
| H222 | C22 | C29 | H292 | 102.9° | 180.0° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| C27 | C30 | C28 | H30 | 180.0° | 179.9° |
| C27 | C30 | C28 | H28 | 179.5° | 180.0° |
| C30 | C27 | C31 | N33 | 57.2° | 0.0° |
| C30 | C27 | C31 | N34 | 122.7° | 180.0° |
| C31 | C27 | C30 | C28 | 179.1° | 180.0° |
| C31 | C27 | C30 | H30 | 0.9° | 0.0° |
| C27 | C31 | N33 | N34 | 180.0° | 180.0° |
| C27 | C31 | N33 | H33 | 180.0° | 180.0° |
| C27 | C31 | N34 | H341 | 180.0° | 8.9° |
| C27 | C31 | N34 | H342 | 0.0° | 180.0° |
| H28 | C28 | C30 | H30 | 0.5° | 0.1° |
| C32 | C29 | H291 | H292 | 118.3° | 120.0° |
| C29 | C32 | C35 | C36 | 179.8° | 179.7° |
| C29 | C32 | C35 | C37 | 179.8° | 180.0° |
| C29 | C32 | C35 | H35 | 0.1° | 0.1° |
| C29 | C32 | C36 | C38 | 179.8° | 179.8° |
| C29 | C32 | C36 | H36 | 0.1° | 0.3° |
| H291 | C29 | C32 | C35 | 158.5° | 30.0° |
| H291 | C29 | C32 | C36 | 21.7° | 149.7° |
| H292 | C29 | C32 | C35 | 35.9° | 150.0° |
| H292 | C29 | C32 | C36 | 144.3° | 29.7° |
| N33 | C31 | N34 | H341 | 0.0° | 171.1° |
| N33 | C31 | N34 | H342 | 180.0° | 0.1° |
| N34 | C31 | N33 | H33 | 0.0° | 0.0° |
| C31 | N34 | H341 | H342 | 180.0° | 169.1° |
| C32 | C35 | C37 | H35 | 180.0° | 179.9° |
| C35 | C32 | C36 | C38 | 0.0° | 0.5° |
| C35 | C32 | C36 | H36 | 180.0° | 179.9° |
| C32 | C35 | C37 | C39 | 0.0° | 0.1° |
| C32 | C35 | C37 | H37 | 180.0° | 179.9° |
| C36 | C32 | C35 | C37 | 0.0° | 0.3° |
| C36 | C32 | C35 | H35 | 180.0° | 179.7° |
| C32 | C36 | C38 | H36 | 180.0° | 179.5° |
| C32 | C36 | C38 | C39 | 0.0° | 0.4° |
| C32 | C36 | C38 | H38 | 179.9° | 179.7° |
| C35 | C37 | C39 | H37 | 180.0° | 179.9° |
| C35 | C37 | C39 | C38 | 0.1° | 0.0° |
| C35 | C37 | C39 | H39 | 179.9° | 180.0° |
| H35 | C35 | C37 | C39 | 179.9° | 180.0° |
| H35 | C35 | C37 | H37 | 0.1° | 0.1° |
| C36 | C38 | C39 | C37 | 0.1° | 0.1° |
| C36 | C38 | C39 | H38 | 180.0° | 179.8° |
| C36 | C38 | C39 | H39 | 179.9° | 179.8° |
| H36 | C36 | C38 | C39 | 179.9° | 180.0° |
| H36 | C36 | C38 | H38 | 0.1° | 0.2° |
| C37 | C39 | C38 | H39 | 180.0° | 180.0° |
| C37 | C39 | C38 | H38 | 179.9° | 180.0° |
| H37 | C37 | C39 | C38 | 179.9° | 180.0° |
| H37 | C37 | C39 | H39 | 0.1° | 0.1° |
| H38 | C38 | C39 | H39 | 0.1° | 0.0° |
