974
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C11 | sing | 1.36Å | 1.36Å | |
| O1 | C6 | sing | 1.36Å | 1.28Å | |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.44Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C17 | sing | 1.48Å | 1.41Å | |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | O11 | sing | 1.36Å | 1.37Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C17 | N11 | doub | 1.38Å | 1.34Å | |
| C17 | N12 | sing | 1.30Å | 1.33Å | |
| N11 | HN11 | sing | 0.97Å | 1.02Å | |
| N12 | H121 | sing | 4.40Å | 1.02Å | |
| N12 | H122 | sing | 0.97Å | 1.02Å | |
| C1 | F1 | sing | 1.35Å | 1.31Å | |
| C1 | C2 | doub | 1.39Å | 1.43Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | N31 | sing | 1.40Å | 1.36Å | |
| C3 | F2 | sing | 1.35Å | 1.31Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | N5 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | O2 | sing | 1.36Å | 1.33Å | |
| N5 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| N31 | C32 | sing | 1.47Å | 1.46Å | |
| N31 | C36 | sing | 1.47Å | 1.44Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C33 | C34 | sing | 1.53Å | 1.58Å | |
| C33 | C37 | sing | 1.51Å | 1.48Å | |
| C33 | H33 | sing | 1.09Å | 1.11Å | |
| C34 | C35 | sing | 1.53Å | 1.57Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C37 | O31 | sing | 1.34Å | 1.26Å | |
| C37 | O32 | doub | 1.21Å | 1.26Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| O2 | C21 | sing | 1.36Å | 1.33Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | sing | 1.40Å | 1.41Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C27 | sing | 1.48Å | 1.41Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | N21 | sing | 1.36Å | 1.36Å | Aromatic |
| C27 | N22 | doub | 1.31Å | 1.35Å | Aromatic |
| N21 | C30 | sing | 1.47Å | 1.44Å | |
| N21 | C28 | sing | 1.37Å | 1.42Å | Aromatic |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C30 | H303 | sing | 1.09Å | 1.12Å | |
| N22 | C29 | sing | 1.34Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.35Å | 1.54Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | O1 | C6 | 136.8° | 106.8° |
| O1 | C11 | C12 | 119.5° | 120.0° |
| O1 | C11 | C16 | 123.3° | 120.0° |
| O1 | C6 | C1 | 125.4° | 119.7° |
| O1 | C6 | N5 | 112.8° | 119.6° |
| C12 | C11 | C16 | 117.2° | 120.0° |
| C11 | C12 | C13 | 122.2° | 119.8° |
| C11 | C12 | H12 | 119.4° | 120.1° |
| C11 | C16 | C15 | 120.4° | 120.1° |
| C11 | C16 | O11 | 122.2° | 119.9° |
| C13 | C12 | H12 | 118.4° | 120.1° |
| C12 | C13 | C14 | 119.5° | 119.9° |
| C12 | C13 | C17 | 115.7° | 120.0° |
| C14 | C13 | C17 | 124.6° | 120.0° |
| C13 | C14 | C15 | 120.5° | 120.0° |
| C13 | C14 | H14 | 119.8° | 120.0° |
| C13 | C17 | N11 | 123.7° | 120.0° |
| C13 | C17 | N12 | 124.2° | 120.0° |
| C15 | C14 | H14 | 119.6° | 120.0° |
| C14 | C15 | C16 | 120.1° | 120.2° |
| C14 | C15 | H15 | 119.2° | 119.9° |
| C16 | C15 | H15 | 120.7° | 119.9° |
| C15 | C16 | O11 | 117.5° | 120.0° |
| C16 | O11 | HO11 | 122.1° | 106.8° |
| N11 | C17 | N12 | 112.1° | 120.0° |
| C17 | N11 | HN11 | 117.9° | 120.0° |
| C17 | N12 | H121 | 124.2° | 106.1° |
| C17 | N12 | H122 | 107.0° | 120.0° |
| H121 | N12 | H122 | 106.9° | 124.0° |
| F1 | C1 | C2 | 120.1° | 120.5° |
| F1 | C1 | C6 | 120.9° | 120.4° |
| C2 | C1 | C6 | 119.0° | 119.2° |
| C1 | C2 | C3 | 118.3° | 118.4° |
| C1 | C2 | N31 | 121.3° | 120.8° |
| C1 | C6 | N5 | 121.7° | 120.7° |
| C3 | C2 | N31 | 120.4° | 120.9° |
| C2 | C3 | F2 | 119.7° | 120.4° |
| C2 | C3 | C4 | 119.3° | 119.2° |
| C2 | N31 | C32 | 118.7° | 106.7° |
| C2 | N31 | C36 | 121.6° | 106.7° |
| F2 | C3 | C4 | 121.0° | 120.4° |
| C3 | C4 | N5 | 121.4° | 120.8° |
| C3 | C4 | O2 | 125.3° | 119.6° |
| N5 | C4 | O2 | 113.2° | 119.6° |
| C4 | N5 | C6 | 120.4° | 121.8° |
| C4 | N5 | HN5 | 119.7° | 119.1° |
| C4 | O2 | C21 | 132.7° | 106.8° |
| C6 | N5 | HN5 | 119.9° | 119.1° |
| C32 | N31 | C36 | 118.5° | 107.3° |
| N31 | C32 | C33 | 109.0° | 109.7° |
| N31 | C32 | H321 | 112.4° | 109.4° |
| N31 | C32 | H322 | 112.4° | 109.4° |
| N31 | C36 | C35 | 112.4° | 109.7° |
| N31 | C36 | H361 | 111.1° | 109.4° |
| N31 | C36 | H362 | 111.1° | 109.5° |
| C33 | C32 | H321 | 112.4° | 109.4° |
| C33 | C32 | H322 | 112.4° | 109.4° |
| C32 | C33 | C34 | 108.8° | 109.2° |
| C32 | C33 | C37 | 115.3° | 109.6° |
| C32 | C33 | H33 | 106.5° | 109.6° |
| H321 | C32 | H322 | 98.0° | 109.4° |
| C34 | C33 | C37 | 111.5° | 109.5° |
| C34 | C33 | H33 | 110.8° | 109.5° |
| C33 | C34 | C35 | 108.4° | 108.9° |
| C33 | C34 | H341 | 112.6° | 109.6° |
| C33 | C34 | H342 | 112.6° | 109.6° |
| C37 | C33 | H33 | 103.7° | 109.5° |
| C33 | C37 | O31 | 117.3° | 120.1° |
| C33 | C37 | O32 | 121.4° | 120.0° |
| C35 | C34 | H341 | 112.6° | 109.5° |
| C35 | C34 | H342 | 112.6° | 109.6° |
| C34 | C35 | C36 | 110.6° | 109.2° |
| C34 | C35 | H351 | 111.8° | 109.6° |
| C34 | C35 | H352 | 111.8° | 109.6° |
| H341 | C34 | H342 | 97.8° | 109.6° |
| C36 | C35 | H351 | 111.8° | 109.5° |
| C36 | C35 | H352 | 111.8° | 109.5° |
| C35 | C36 | H361 | 111.2° | 109.4° |
| C35 | C36 | H362 | 111.2° | 109.4° |
| H351 | C35 | H352 | 98.7° | 109.5° |
| H361 | C36 | H362 | 99.1° | 109.4° |
| O31 | C37 | O32 | 116.0° | 120.0° |
| C37 | O31 | HO31 | 117.3° | 120.0° |
| O2 | C21 | C22 | 119.4° | 120.0° |
| O2 | C21 | C26 | 118.8° | 120.0° |
| C22 | C21 | C26 | 121.8° | 120.0° |
| C21 | C22 | C23 | 119.3° | 120.2° |
| C21 | C22 | H22 | 119.9° | 119.9° |
| C21 | C26 | C25 | 119.1° | 119.8° |
| C21 | C26 | H26 | 120.6° | 120.1° |
| C23 | C22 | H22 | 120.8° | 119.8° |
| C22 | C23 | C24 | 119.2° | 120.2° |
| C22 | C23 | H23 | 120.4° | 119.9° |
| C24 | C23 | H23 | 120.5° | 119.9° |
| C23 | C24 | C25 | 121.2° | 120.0° |
| C23 | C24 | H24 | 119.3° | 120.0° |
| C25 | C24 | H24 | 119.5° | 120.0° |
| C24 | C25 | C26 | 119.4° | 119.8° |
| C24 | C25 | C27 | 120.4° | 120.1° |
| C26 | C25 | C27 | 120.2° | 120.1° |
| C25 | C26 | H26 | 120.3° | 120.1° |
| C25 | C27 | N21 | 129.2° | 125.8° |
| C25 | C27 | N22 | 120.5° | 125.9° |
| N21 | C27 | N22 | 110.3° | 108.3° |
| C27 | N21 | C30 | 129.0° | 126.5° |
| C27 | N21 | C28 | 109.6° | 107.0° |
| C27 | N22 | C29 | 112.2° | 109.3° |
| C30 | N21 | C28 | 121.4° | 126.5° |
| N21 | C30 | H301 | 129.0° | 109.4° |
| N21 | C30 | H302 | 105.4° | 109.5° |
| N21 | C30 | H303 | 105.4° | 109.5° |
| N21 | C28 | C29 | 105.1° | 107.0° |
| N21 | C28 | H28 | 124.3° | 126.5° |
| H301 | C30 | H302 | 105.4° | 109.4° |
| H301 | C30 | H303 | 105.4° | 109.5° |
| H302 | C30 | H303 | 103.8° | 109.5° |
| N22 | C29 | C28 | 102.8° | 108.3° |
| N22 | C29 | H29 | 125.2° | 125.8° |
| C29 | C28 | H28 | 130.6° | 126.4° |
| C28 | C29 | H29 | 132.1° | 125.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C11 | C12 | C16 | 178.6° | 179.7° |
| O1 | C11 | C12 | C13 | 177.8° | 180.0° |
| O1 | C11 | C12 | H12 | 2.2° | 0.0° |
| O1 | C11 | C16 | C15 | 179.4° | 179.7° |
| O1 | C11 | C16 | O11 | 1.2° | 0.3° |
| C11 | O1 | C6 | C1 | 160.5° | 124.3° |
| C11 | O1 | C6 | N5 | 20.9° | 55.7° |
| C6 | O1 | C11 | C12 | 113.5° | 6.6° |
| C6 | O1 | C11 | C16 | 65.1° | 173.7° |
| O1 | C6 | C1 | F1 | 0.5° | 0.0° |
| O1 | C6 | C1 | C2 | 178.7° | 180.0° |
| O1 | C6 | C1 | N5 | 178.5° | 180.0° |
| O1 | C6 | N5 | C4 | 178.9° | 180.0° |
| O1 | C6 | N5 | HN5 | 1.0° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 2.1° | 0.0° |
| C11 | C12 | C13 | C17 | 178.4° | 180.0° |
| C12 | C11 | C16 | C15 | 0.8° | 0.6° |
| C12 | C11 | C16 | O11 | 179.8° | 180.0° |
| C16 | C11 | C12 | C13 | 0.8° | 0.3° |
| C16 | C11 | C12 | H12 | 179.1° | 179.7° |
| C11 | C16 | C15 | C14 | 1.2° | 0.6° |
| C11 | C16 | C15 | O11 | 179.5° | 179.4° |
| C11 | C16 | C15 | H15 | 178.8° | 179.7° |
| C11 | C16 | O11 | HO11 | 180.0° | 90.6° |
| C12 | C13 | C14 | C17 | 175.9° | 180.0° |
| C12 | C13 | C14 | C15 | 1.7° | 0.1° |
| C12 | C13 | C14 | H14 | 178.2° | 179.9° |
| C12 | C13 | C17 | N11 | 3.0° | 173.6° |
| C12 | C13 | C17 | N12 | 175.2° | 6.3° |
| H12 | C12 | C13 | C14 | 177.9° | 180.0° |
| H12 | C12 | C13 | C17 | 1.6° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.4° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C13 | C17 | N11 | 179.0° | 6.4° |
| C14 | C13 | C17 | N12 | 0.9° | 173.6° |
| C17 | C13 | C14 | C15 | 177.7° | 180.0° |
| C17 | C13 | C14 | H14 | 2.3° | 0.1° |
| C13 | C17 | N11 | N12 | 178.4° | 180.0° |
| C13 | C17 | N11 | HN11 | 60.7° | 5.7° |
| C13 | C17 | N12 | H121 | 180.0° | 27.9° |
| C13 | C17 | N12 | H122 | 54.8° | 175.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.6° |
| C14 | C15 | C16 | O11 | 179.3° | 179.9° |
| H14 | C14 | C15 | C16 | 179.9° | 179.8° |
| H14 | C14 | C15 | H15 | 0.1° | 0.1° |
| C15 | C16 | O11 | HO11 | 0.5° | 90.0° |
| H15 | C15 | C16 | O11 | 0.7° | 0.3° |
| N11 | C17 | N12 | H121 | 1.6° | 152.1° |
| N11 | C17 | N12 | H122 | 123.6° | 5.0° |
| N12 | C17 | N11 | HN11 | 120.9° | 174.2° |
| C17 | N12 | H121 | H122 | 125.2° | 145.4° |
| F1 | C1 | C2 | C6 | 179.2° | 180.0° |
| F1 | C1 | C2 | C3 | 179.3° | 179.7° |
| F1 | C1 | C2 | N31 | 0.5° | 0.0° |
| F1 | C1 | C6 | N5 | 179.0° | 179.9° |
| C1 | C2 | C3 | N31 | 179.7° | 179.7° |
| C1 | C2 | C3 | F2 | 179.1° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.5° |
| C2 | C1 | C6 | N5 | 0.2° | 0.0° |
| C1 | C2 | N31 | C32 | 36.9° | 119.3° |
| C1 | C2 | N31 | C36 | 130.6° | 126.2° |
| C6 | C1 | C2 | C3 | 0.0° | 0.3° |
| C6 | C1 | C2 | N31 | 179.7° | 180.0° |
| C1 | C6 | N5 | C4 | 0.3° | 0.0° |
| C1 | C6 | N5 | HN5 | 179.7° | 180.0° |
| C2 | C3 | F2 | C4 | 179.3° | 179.5° |
| C2 | C3 | C4 | N5 | 0.1° | 0.5° |
| C2 | C3 | C4 | O2 | 178.9° | 179.8° |
| C3 | C2 | N31 | C32 | 143.4° | 61.0° |
| C3 | C2 | N31 | C36 | 49.2° | 53.5° |
| N31 | C2 | C3 | F2 | 1.1° | 0.2° |
| N31 | C2 | C3 | C4 | 179.6° | 179.8° |
| C2 | N31 | C32 | C36 | 167.8° | 114.0° |
| C2 | N31 | C32 | C33 | 136.8° | 179.7° |
| C2 | N31 | C32 | H321 | 97.9° | 59.6° |
| C2 | N31 | C32 | H322 | 11.5° | 60.2° |
| C2 | N31 | C36 | C35 | 141.3° | 179.7° |
| C2 | N31 | C36 | H361 | 16.0° | 60.2° |
| C2 | N31 | C36 | H362 | 93.4° | 59.6° |
| F2 | C3 | C4 | N5 | 179.2° | 179.9° |
| F2 | C3 | C4 | O2 | 0.4° | 0.3° |
| C3 | C4 | N5 | O2 | 179.0° | 179.7° |
| C3 | C4 | N5 | C6 | 0.1° | 0.3° |
| C3 | C4 | N5 | HN5 | 179.8° | 179.7° |
| C3 | C4 | O2 | C21 | 52.5° | 119.3° |
| C4 | N5 | C6 | HN5 | 180.0° | 180.0° |
| N5 | C4 | O2 | C21 | 128.6° | 61.0° |
| O2 | C4 | N5 | C6 | 178.8° | 180.0° |
| O2 | C4 | N5 | HN5 | 1.2° | 0.1° |
| C4 | O2 | C21 | C22 | 38.0° | 3.6° |
| C4 | O2 | C21 | C26 | 141.5° | 176.6° |
| N31 | C32 | C33 | H321 | 125.3° | 120.1° |
| N31 | C32 | C33 | H322 | 125.3° | 120.1° |
| N31 | C32 | H321 | H322 | 118.3° | 119.8° |
| N31 | C32 | C33 | C34 | 58.2° | 61.4° |
| N31 | C32 | C33 | C37 | 175.7° | 178.7° |
| N31 | C32 | C33 | H33 | 61.3° | 58.5° |
| C32 | N31 | C36 | C35 | 51.2° | 65.7° |
| C32 | N31 | C36 | H361 | 176.5° | 174.2° |
| C32 | N31 | C36 | H362 | 74.1° | 54.4° |
| C36 | N31 | C32 | C33 | 55.4° | 65.7° |
| C36 | N31 | C32 | H321 | 69.9° | 54.4° |
| C36 | N31 | C32 | H322 | 179.3° | 174.2° |
| N31 | C36 | C35 | C34 | 49.4° | 61.4° |
| N31 | C36 | C35 | H361 | 125.3° | 120.1° |
| N31 | C36 | C35 | H362 | 125.3° | 120.1° |
| N31 | C36 | C35 | H351 | 174.6° | 58.6° |
| N31 | C36 | C35 | H352 | 75.9° | 178.6° |
| N31 | C36 | H361 | H362 | 117.0° | 119.9° |
| C33 | C32 | H321 | H322 | 118.3° | 119.9° |
| C32 | C33 | C34 | C37 | 128.3° | 120.0° |
| C32 | C33 | C34 | H33 | 116.8° | 120.0° |
| C32 | C33 | C37 | H33 | 116.0° | 120.2° |
| C32 | C33 | C34 | C35 | 60.2° | 55.6° |
| C32 | C33 | C34 | H341 | 65.1° | 175.4° |
| C32 | C33 | C34 | H342 | 174.5° | 64.2° |
| C32 | C33 | C37 | O31 | 97.9° | 179.8° |
| C32 | C33 | C37 | O32 | 108.7° | 0.3° |
| H321 | C32 | C33 | C34 | 67.0° | 58.7° |
| H321 | C32 | C33 | C37 | 59.0° | 61.2° |
| H321 | C32 | C33 | H33 | 173.4° | 178.6° |
| H322 | C32 | C33 | C34 | 176.5° | 178.5° |
| H322 | C32 | C33 | C37 | 50.4° | 58.6° |
| H322 | C32 | C33 | H33 | 64.0° | 61.5° |
| C34 | C33 | C37 | H33 | 119.2° | 120.1° |
| C33 | C34 | C35 | H341 | 125.3° | 119.8° |
| C33 | C34 | C35 | H342 | 125.3° | 119.9° |
| C33 | C34 | H341 | H342 | 118.6° | 120.4° |
| C33 | C34 | C35 | C36 | 55.3° | 55.6° |
| C33 | C34 | C35 | H351 | 179.5° | 64.3° |
| C33 | C34 | C35 | H352 | 69.9° | 175.5° |
| C34 | C33 | C37 | O31 | 26.8° | 60.0° |
| C34 | C33 | C37 | O32 | 126.6° | 120.1° |
| C37 | C33 | C34 | C35 | 171.6° | 175.6° |
| C37 | C33 | C34 | H341 | 63.2° | 64.6° |
| C37 | C33 | C34 | H342 | 46.3° | 55.8° |
| C33 | C37 | O31 | O32 | 154.8° | 179.9° |
| C33 | C37 | O31 | HO31 | 180.0° | 180.0° |
| H33 | C33 | C34 | C35 | 56.7° | 64.3° |
| H33 | C33 | C34 | H341 | 178.1° | 55.5° |
| H33 | C33 | C34 | H342 | 68.6° | 175.8° |
| H33 | C33 | C37 | O31 | 146.1° | 60.0° |
| H33 | C33 | C37 | O32 | 7.3° | 119.9° |
| C35 | C34 | H341 | H342 | 118.5° | 120.2° |
| C34 | C35 | C36 | H351 | 125.2° | 120.0° |
| C34 | C35 | C36 | H352 | 125.3° | 119.9° |
| C34 | C35 | H351 | H352 | 117.7° | 120.2° |
| C34 | C35 | C36 | H361 | 174.7° | 178.5° |
| C34 | C35 | C36 | H362 | 75.9° | 58.7° |
| H341 | C34 | C35 | C36 | 69.9° | 175.4° |
| H341 | C34 | C35 | H351 | 55.3° | 55.5° |
| H341 | C34 | C35 | H352 | 164.8° | 64.7° |
| H342 | C34 | C35 | C36 | 179.4° | 64.3° |
| H342 | C34 | C35 | H351 | 54.2° | 175.8° |
| H342 | C34 | C35 | H352 | 55.4° | 55.6° |
| C36 | C35 | H351 | H352 | 117.7° | 120.1° |
| C35 | C36 | H361 | H362 | 117.1° | 119.8° |
| H351 | C35 | C36 | H361 | 60.1° | 61.5° |
| H351 | C35 | C36 | H362 | 49.4° | 178.7° |
| H352 | C35 | C36 | H361 | 49.4° | 58.6° |
| H352 | C35 | C36 | H362 | 158.9° | 61.2° |
| O32 | C37 | O31 | HO31 | 25.2° | 0.1° |
| O2 | C21 | C22 | C26 | 179.5° | 179.7° |
| O2 | C21 | C22 | C23 | 179.9° | 180.0° |
| O2 | C21 | C22 | H22 | 0.1° | 0.0° |
| O2 | C21 | C26 | C25 | 179.0° | 179.7° |
| O2 | C21 | C26 | H26 | 1.0° | 0.3° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| C22 | C21 | C26 | C25 | 1.5° | 0.5° |
| C22 | C21 | C26 | H26 | 178.5° | 180.0° |
| C26 | C21 | C22 | C23 | 0.6° | 0.3° |
| C26 | C21 | C22 | H22 | 179.4° | 179.7° |
| C21 | C26 | C25 | C24 | 1.6° | 0.5° |
| C21 | C26 | C25 | H26 | 180.0° | 179.5° |
| C21 | C26 | C25 | C27 | 178.4° | 179.7° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| H22 | C22 | C23 | C24 | 179.8° | 180.0° |
| H22 | C22 | C23 | H23 | 0.1° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.9° | 0.2° |
| C23 | C24 | C25 | C27 | 177.7° | 180.0° |
| H23 | C23 | C24 | C25 | 180.0° | 180.0° |
| H23 | C23 | C24 | H24 | 0.0° | 0.0° |
| C24 | C25 | C26 | C27 | 176.8° | 179.8° |
| C24 | C25 | C26 | H26 | 178.4° | 180.0° |
| C24 | C25 | C27 | N21 | 53.5° | 143.7° |
| C24 | C25 | C27 | N22 | 125.3° | 36.8° |
| H24 | C24 | C25 | C26 | 179.1° | 179.7° |
| H24 | C24 | C25 | C27 | 2.3° | 0.0° |
| C26 | C25 | C27 | N21 | 129.7° | 36.1° |
| C26 | C25 | C27 | N22 | 51.5° | 143.4° |
| C27 | C25 | C26 | H26 | 1.6° | 0.2° |
| C25 | C27 | N21 | N22 | 178.9° | 179.6° |
| C25 | C27 | N21 | C30 | 0.8° | 0.3° |
| C25 | C27 | N21 | C28 | 178.4° | 180.0° |
| C25 | C27 | N22 | C29 | 178.2° | 180.0° |
| C27 | N21 | C30 | C28 | 179.1° | 179.7° |
| C27 | N21 | C30 | H301 | 180.0° | 73.9° |
| C27 | N21 | C30 | H302 | 54.7° | 46.0° |
| C27 | N21 | C30 | H303 | 54.7° | 166.1° |
| N21 | C27 | N22 | C29 | 0.8° | 0.4° |
| C27 | N21 | C28 | C29 | 0.1° | 0.2° |
| C27 | N21 | C28 | H28 | 179.9° | 179.8° |
| N22 | C27 | N21 | C30 | 179.7° | 179.9° |
| N22 | C27 | N21 | C28 | 0.5° | 0.4° |
| C27 | N22 | C29 | C28 | 0.7° | 0.2° |
| C27 | N22 | C29 | H29 | 179.3° | 179.8° |
| N21 | C30 | H301 | H302 | 125.3° | 119.9° |
| N21 | C30 | H301 | H303 | 125.3° | 120.0° |
| N21 | C30 | H302 | H303 | 110.6° | 120.0° |
| C30 | N21 | C28 | C29 | 179.3° | 179.9° |
| C30 | N21 | C28 | H28 | 0.6° | 0.1° |
| C28 | N21 | C30 | H301 | 0.9° | 106.4° |
| C28 | N21 | C30 | H302 | 126.2° | 133.7° |
| C28 | N21 | C30 | H303 | 124.4° | 13.6° |
| N21 | C28 | C29 | N22 | 0.3° | 0.0° |
| N21 | C28 | C29 | H28 | 180.0° | 180.0° |
| N21 | C28 | C29 | H29 | 179.7° | 179.9° |
| H301 | C30 | H302 | H303 | 110.6° | 120.0° |
| N22 | C29 | C28 | H29 | 180.0° | 179.9° |
| N22 | C29 | C28 | H28 | 179.7° | 180.0° |
| H28 | C28 | C29 | H29 | 0.3° | 0.1° |
