JA4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.36Å | 1.39Å | |
| C10 | C16 | sing | 1.41Å | 1.49Å | |
| C09 | C08 | sing | 1.46Å | 1.51Å | |
| O17 | C16 | doub | 1.22Å | 1.25Å | |
| C37 | C36 | doub | 1.33Å | 1.36Å | Aromatic |
| C37 | S38 | sing | 1.76Å | 1.76Å | Aromatic |
| C16 | N15 | sing | 1.34Å | 1.45Å | |
| C36 | C35 | sing | 1.38Å | 1.49Å | Aromatic |
| C08 | C07 | doub | 1.40Å | 1.48Å | Aromatic |
| C08 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.37Å | 1.43Å | Aromatic |
| O18 | S05 | doub | 1.42Å | 1.40Å | |
| N15 | C11 | sing | 1.38Å | 1.46Å | |
| C11 | C12 | doub | 1.39Å | 1.47Å | Aromatic |
| S38 | C34 | sing | 1.76Å | 1.79Å | Aromatic |
| C06 | S05 | sing | 1.76Å | 2.01Å | |
| C06 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| O19 | S05 | doub | 1.42Å | 1.41Å | |
| C35 | C34 | doub | 1.33Å | 1.38Å | Aromatic |
| S05 | N04 | sing | 1.66Å | 1.73Å | |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | CL1 | sing | 1.74Å | 1.85Å | |
| C34 | C33 | sing | 1.51Å | 1.60Å | |
| C23 | O22 | sing | 1.43Å | 1.44Å | |
| O22 | C21 | sing | 1.36Å | 1.40Å | |
| N04 | C03 | sing | 1.46Å | 1.51Å | |
| C03 | C02 | sing | 1.51Å | 1.65Å | |
| C03 | C20 | sing | 1.51Å | 1.59Å | |
| C33 | N28 | sing | 1.47Å | 1.52Å | |
| C02 | N28 | sing | 1.35Å | 1.44Å | |
| C02 | O01 | doub | 1.21Å | 1.24Å | |
| C21 | C20 | doub | 1.39Å | 1.44Å | Aromatic |
| C21 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
| N28 | C29 | sing | 1.47Å | 1.51Å | |
| C20 | C27 | sing | 1.38Å | 1.43Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.60Å | |
| C24 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.42Å | Aromatic |
| C30 | O32 | doub | 1.21Å | 1.27Å | |
| C30 | O31 | sing | 1.34Å | 1.26Å | |
| C25 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| O31 | H1 | sing | 0.97Å | 0.95Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C16 | 119.5° | 120.2° |
| C10 | C09 | C08 | 122.3° | 118.6° |
| C09 | C10 | H101 | 120.2° | 119.9° |
| C10 | C09 | H091 | 118.8° | 120.7° |
| C10 | C16 | O17 | 122.6° | 119.2° |
| C10 | C16 | N15 | 118.1° | 121.6° |
| C16 | C10 | H101 | 120.2° | 119.9° |
| C09 | C08 | C07 | 123.8° | 121.1° |
| C09 | C08 | C11 | 118.2° | 118.9° |
| C08 | C09 | H091 | 118.9° | 120.7° |
| O17 | C16 | N15 | 119.3° | 119.2° |
| C36 | C37 | S38 | 108.0° | 109.6° |
| C37 | C36 | C35 | 113.8° | 114.9° |
| C37 | C36 | H361 | 123.1° | 122.5° |
| C36 | C37 | H371 | 126.0° | 125.2° |
| C37 | S38 | C34 | 96.7° | 91.0° |
| S38 | C37 | H371 | 126.0° | 125.1° |
| C16 | N15 | C11 | 122.0° | 121.0° |
| C16 | N15 | H151 | 119.0° | 119.5° |
| C36 | C35 | C34 | 116.4° | 114.9° |
| C36 | C35 | H351 | 121.8° | 122.6° |
| C35 | C36 | H361 | 123.1° | 122.5° |
| C07 | C08 | C11 | 118.0° | 119.9° |
| C08 | C07 | C06 | 125.7° | 119.7° |
| C08 | C07 | H071 | 117.1° | 120.1° |
| C08 | C11 | N15 | 119.8° | 119.7° |
| C08 | C11 | C12 | 117.5° | 119.4° |
| C07 | C06 | S05 | 124.7° | 119.7° |
| C07 | C06 | C13 | 112.3° | 120.6° |
| C06 | C07 | H071 | 117.1° | 120.2° |
| O18 | S05 | C06 | 107.4° | 106.4° |
| O18 | S05 | O19 | 112.0° | 123.1° |
| O18 | S05 | N04 | 112.9° | 106.4° |
| N15 | C11 | C12 | 122.7° | 121.0° |
| C11 | N15 | H151 | 119.0° | 119.5° |
| C11 | C12 | C13 | 119.9° | 119.7° |
| C11 | C12 | H121 | 120.0° | 120.1° |
| S38 | C34 | C35 | 105.1° | 109.6° |
| S38 | C34 | C33 | 121.6° | 125.2° |
| S05 | C06 | C13 | 123.0° | 119.7° |
| C06 | S05 | O19 | 109.0° | 106.4° |
| C06 | S05 | N04 | 106.4° | 107.2° |
| C06 | C13 | C12 | 126.5° | 120.7° |
| C06 | C13 | CL1 | 116.1° | 119.7° |
| O19 | S05 | N04 | 108.9° | 106.4° |
| C35 | C34 | C33 | 133.4° | 125.2° |
| C34 | C35 | H351 | 121.8° | 122.5° |
| S05 | N04 | C03 | 124.4° | 120.0° |
| S05 | N04 | H041 | 105.6° | 120.0° |
| C12 | C13 | CL1 | 117.4° | 119.6° |
| C13 | C12 | H121 | 120.0° | 120.2° |
| C34 | C33 | N28 | 120.0° | 109.5° |
| C34 | C33 | H332 | 106.8° | 109.5° |
| C34 | C33 | H331 | 106.7° | 109.5° |
| C23 | O22 | C21 | 119.8° | 117.0° |
| O22 | C23 | H232 | 109.5° | 109.5° |
| O22 | C23 | H233 | 109.5° | 109.5° |
| O22 | C23 | H231 | 109.5° | 109.4° |
| O22 | C21 | C20 | 118.1° | 120.1° |
| O22 | C21 | C24 | 121.1° | 120.1° |
| N04 | C03 | C02 | 111.6° | 109.5° |
| N04 | C03 | C20 | 113.1° | 109.5° |
| N04 | C03 | H031 | 107.0° | 109.4° |
| C03 | N04 | H041 | 105.6° | 120.0° |
| C02 | C03 | C20 | 112.9° | 109.5° |
| C03 | C02 | N28 | 127.3° | 120.0° |
| C03 | C02 | O01 | 112.1° | 120.0° |
| C02 | C03 | H031 | 105.5° | 109.5° |
| C03 | C20 | C21 | 124.0° | 120.1° |
| C03 | C20 | C27 | 119.6° | 120.0° |
| C20 | C03 | H031 | 106.1° | 109.5° |
| C33 | N28 | C02 | 124.6° | 120.1° |
| C33 | N28 | C29 | 115.4° | 120.0° |
| N28 | C33 | H332 | 106.8° | 109.5° |
| N28 | C33 | H331 | 106.8° | 109.4° |
| N28 | C02 | O01 | 120.5° | 120.0° |
| C02 | N28 | C29 | 120.0° | 120.0° |
| C20 | C21 | C24 | 120.9° | 119.9° |
| C21 | C20 | C27 | 116.5° | 119.9° |
| C21 | C24 | C25 | 121.0° | 120.0° |
| C21 | C24 | H241 | 119.5° | 120.0° |
| N28 | C29 | C30 | 114.8° | 109.4° |
| N28 | C29 | H292 | 108.1° | 109.5° |
| N28 | C29 | H291 | 108.1° | 109.5° |
| C20 | C27 | C26 | 122.7° | 120.1° |
| C20 | C27 | H271 | 118.6° | 119.9° |
| C29 | C30 | O32 | 117.5° | 120.0° |
| C29 | C30 | O31 | 118.1° | 120.0° |
| C30 | C29 | H292 | 108.1° | 109.4° |
| C30 | C29 | H291 | 108.1° | 109.5° |
| C24 | C25 | C26 | 120.1° | 120.1° |
| C25 | C24 | H241 | 119.5° | 120.0° |
| C24 | C25 | H251 | 119.9° | 120.0° |
| C27 | C26 | C25 | 118.8° | 120.1° |
| C27 | C26 | H261 | 120.6° | 120.0° |
| C26 | C27 | H271 | 118.6° | 120.0° |
| O32 | C30 | O31 | 124.4° | 120.0° |
| C30 | O31 | H1 | 109.5° | 117.1° |
| C25 | C26 | H261 | 120.6° | 119.9° |
| C26 | C25 | H251 | 120.0° | 120.0° |
| H232 | C23 | H233 | 109.4° | 109.5° |
| H232 | C23 | H231 | 109.4° | 109.4° |
| H233 | C23 | H231 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H332 | C33 | H331 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C16 | H101 | 180.0° | 179.8° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C09 | C10 | C16 | O17 | 180.0° | 180.0° |
| C09 | C10 | C16 | N15 | 0.0° | 0.0° |
| C10 | C09 | C08 | C07 | 180.0° | 180.0° |
| C10 | C09 | C08 | C11 | 0.1° | 0.0° |
| C16 | C10 | C09 | C08 | 0.1° | 0.0° |
| C10 | C16 | O17 | N15 | 180.0° | 179.9° |
| C10 | C16 | N15 | C11 | 0.1° | 0.0° |
| C16 | C10 | C09 | H091 | 179.9° | 179.9° |
| C10 | C16 | N15 | H151 | 179.9° | 180.0° |
| C09 | C08 | C07 | C11 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 179.8° | 180.0° |
| C09 | C08 | C11 | N15 | 0.0° | 0.0° |
| C09 | C08 | C11 | C12 | 180.0° | 180.0° |
| C08 | C09 | C10 | H101 | 179.9° | 179.8° |
| C09 | C08 | C07 | H071 | 0.2° | 0.0° |
| O17 | C16 | N15 | C11 | 179.9° | 180.0° |
| O17 | C16 | C10 | H101 | 0.0° | 0.2° |
| O17 | C16 | N15 | H151 | 0.1° | 0.0° |
| C36 | C37 | S38 | H371 | 180.0° | 179.8° |
| C37 | C36 | C35 | H361 | 180.0° | 180.0° |
| C36 | C37 | S38 | C34 | 0.2° | 0.3° |
| C37 | C36 | C35 | C34 | 0.6° | 0.0° |
| C37 | C36 | C35 | H351 | 179.4° | 180.0° |
| S38 | C37 | C36 | C35 | 0.2° | 0.2° |
| C37 | S38 | C34 | C35 | 0.5° | 0.3° |
| C37 | S38 | C34 | C33 | 179.6° | 180.0° |
| S38 | C37 | C36 | H361 | 179.8° | 179.7° |
| C16 | N15 | C11 | C08 | 0.1° | 0.0° |
| C16 | N15 | C11 | H151 | 180.0° | 180.0° |
| C16 | N15 | C11 | C12 | 179.9° | 180.0° |
| N15 | C16 | C10 | H101 | 180.0° | 179.8° |
| C36 | C35 | C34 | S38 | 0.7° | 0.2° |
| C36 | C35 | C34 | H351 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 179.6° | 180.0° |
| C35 | C36 | C37 | H371 | 179.8° | 180.0° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C07 | C08 | C11 | N15 | 180.0° | 180.0° |
| C07 | C08 | C11 | C12 | 0.0° | 0.0° |
| C08 | C07 | C06 | S05 | 179.8° | 179.9° |
| C08 | C07 | C06 | C13 | 0.3° | 0.1° |
| C07 | C08 | C09 | H091 | 0.0° | 0.1° |
| C11 | C08 | C07 | C06 | 0.2° | 0.1° |
| C08 | C11 | N15 | C12 | 180.0° | 180.0° |
| C08 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C08 | C07 | H071 | 179.9° | 179.9° |
| C11 | C08 | C09 | H091 | 179.9° | 179.9° |
| C08 | C11 | C12 | H121 | 179.9° | 180.0° |
| C08 | C11 | N15 | H151 | 179.9° | 180.0° |
| C07 | C06 | S05 | O18 | 9.8° | 131.9° |
| C07 | C06 | S05 | C13 | 179.4° | 180.0° |
| C07 | C06 | S05 | O19 | 131.3° | 1.0° |
| C07 | C06 | S05 | N04 | 111.3° | 114.5° |
| C07 | C06 | C13 | C12 | 0.3° | 0.1° |
| C07 | C06 | C13 | CL1 | 179.9° | 179.9° |
| O18 | S05 | C06 | O19 | 121.5° | 132.9° |
| O18 | S05 | C06 | N04 | 121.1° | 113.5° |
| O18 | S05 | C06 | C13 | 170.7° | 48.0° |
| O18 | S05 | O19 | N04 | 125.6° | 122.9° |
| O18 | S05 | N04 | C03 | 56.4° | 178.5° |
| O18 | S05 | N04 | H041 | 178.4° | 1.5° |
| N15 | C11 | C12 | C13 | 179.9° | 180.0° |
| N15 | C11 | C12 | H121 | 0.1° | 0.0° |
| C11 | C12 | C13 | C06 | 0.1° | 0.0° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | CL1 | 180.0° | 180.0° |
| C12 | C11 | N15 | H151 | 0.1° | 0.0° |
| S38 | C34 | C35 | C33 | 178.9° | 179.7° |
| S38 | C34 | C33 | N28 | 96.9° | 90.3° |
| S38 | C34 | C33 | H332 | 141.7° | 149.7° |
| S38 | C34 | C33 | H331 | 24.6° | 29.6° |
| S38 | C34 | C35 | H351 | 179.3° | 179.8° |
| C34 | S38 | C37 | H371 | 179.8° | 179.9° |
| C06 | S05 | O19 | N04 | 115.8° | 114.1° |
| S05 | C06 | C13 | C12 | 179.8° | 180.0° |
| S05 | C06 | C13 | CL1 | 0.4° | 0.0° |
| C06 | S05 | N04 | C03 | 61.1° | 64.9° |
| C06 | S05 | N04 | H041 | 60.9° | 115.0° |
| S05 | C06 | C07 | H071 | 0.2° | 0.0° |
| C13 | C06 | S05 | O19 | 49.3° | 179.0° |
| C13 | C06 | S05 | N04 | 68.1° | 65.5° |
| C06 | C13 | C12 | CL1 | 179.9° | 180.0° |
| C13 | C06 | C07 | H071 | 179.7° | 179.9° |
| C06 | C13 | C12 | H121 | 179.9° | 180.0° |
| O19 | S05 | N04 | C03 | 178.6° | 48.6° |
| O19 | S05 | N04 | H041 | 56.5° | 131.4° |
| C35 | C34 | C33 | N28 | 84.4° | 90.0° |
| C35 | C34 | C33 | H332 | 37.1° | 30.0° |
| C35 | C34 | C33 | H331 | 154.1° | 150.0° |
| C34 | C35 | C36 | H361 | 179.4° | 180.0° |
| S05 | N04 | C03 | H041 | 122.0° | 179.9° |
| S05 | N04 | C03 | C02 | 90.2° | 141.3° |
| S05 | N04 | C03 | C20 | 141.2° | 98.7° |
| S05 | N04 | C03 | H031 | 24.7° | 21.3° |
| CL1 | C13 | C12 | H121 | 0.1° | 0.0° |
| C34 | C33 | N28 | H332 | 121.5° | 120.1° |
| C34 | C33 | N28 | H331 | 121.5° | 120.0° |
| C34 | C33 | N28 | C02 | 65.6° | 89.9° |
| C34 | C33 | N28 | C29 | 115.1° | 90.0° |
| C34 | C33 | H332 | H331 | 115.2° | 120.0° |
| C33 | C34 | C35 | H351 | 0.4° | 0.0° |
| C23 | O22 | C21 | C20 | 173.9° | 174.9° |
| C23 | O22 | C21 | C24 | 6.1° | 5.0° |
| O22 | C23 | H232 | H233 | 120.0° | 120.0° |
| O22 | C23 | H232 | H231 | 120.0° | 119.9° |
| O22 | C23 | H233 | H231 | 120.0° | 120.0° |
| O22 | C21 | C20 | C03 | 0.5° | 0.2° |
| O22 | C21 | C20 | C24 | 180.0° | 180.0° |
| O22 | C21 | C20 | C27 | 179.6° | 180.0° |
| O22 | C21 | C24 | C25 | 180.0° | 180.0° |
| O22 | C21 | C24 | H241 | 0.0° | 0.0° |
| C21 | O22 | C23 | H232 | 180.0° | 63.9° |
| C21 | O22 | C23 | H233 | 60.0° | 176.0° |
| C21 | O22 | C23 | H231 | 60.0° | 56.0° |
| N04 | C03 | C02 | C20 | 128.7° | 120.0° |
| N04 | C03 | C02 | H031 | 115.8° | 120.0° |
| N04 | C03 | C20 | H031 | 117.0° | 120.0° |
| N04 | C03 | C02 | N28 | 147.0° | 134.6° |
| N04 | C03 | C02 | O01 | 32.1° | 45.3° |
| N04 | C03 | C20 | C21 | 94.3° | 151.9° |
| N04 | C03 | C20 | C27 | 84.9° | 27.9° |
| C02 | C03 | C20 | H031 | 115.1° | 120.0° |
| C03 | C02 | N28 | C33 | 0.9° | 174.6° |
| C03 | C02 | N28 | O01 | 179.1° | 179.9° |
| C02 | C03 | C20 | C21 | 137.8° | 88.0° |
| C03 | C02 | N28 | C29 | 179.8° | 5.3° |
| C02 | C03 | C20 | C27 | 43.0° | 92.2° |
| C02 | C03 | N04 | H041 | 31.8° | 38.7° |
| C20 | C03 | C02 | N28 | 84.3° | 105.3° |
| C20 | C03 | C02 | O01 | 96.6° | 74.8° |
| C03 | C20 | C21 | C27 | 179.2° | 179.8° |
| C03 | C20 | C21 | C24 | 179.5° | 179.7° |
| C03 | C20 | C27 | C26 | 179.7° | 179.7° |
| C20 | C03 | N04 | H041 | 96.8° | 81.3° |
| C03 | C20 | C27 | H271 | 0.3° | 0.2° |
| C33 | N28 | C02 | C29 | 179.3° | 179.9° |
| C33 | N28 | C02 | O01 | 179.9° | 5.5° |
| C33 | N28 | C29 | C30 | 75.3° | 89.2° |
| C33 | N28 | C29 | H292 | 45.5° | 30.8° |
| C33 | N28 | C29 | H291 | 163.9° | 150.8° |
| N28 | C33 | H332 | H331 | 115.2° | 119.9° |
| C02 | N28 | C29 | C30 | 104.1° | 90.9° |
| N28 | C02 | C03 | H031 | 31.2° | 14.7° |
| C02 | N28 | C29 | H292 | 135.1° | 149.1° |
| C02 | N28 | C29 | H291 | 16.7° | 29.1° |
| C02 | N28 | C33 | H332 | 55.9° | 150.0° |
| C02 | N28 | C33 | H331 | 173.0° | 30.0° |
| O01 | C02 | N28 | C29 | 0.7° | 174.6° |
| O01 | C02 | C03 | H031 | 148.0° | 165.3° |
| C20 | C21 | C24 | C25 | 0.1° | 0.0° |
| C21 | C20 | C27 | C26 | 0.5° | 0.0° |
| C20 | C21 | C24 | H241 | 180.0° | 179.9° |
| C21 | C20 | C03 | H031 | 22.7° | 31.9° |
| C21 | C20 | C27 | H271 | 179.5° | 180.0° |
| C24 | C21 | C20 | C27 | 0.4° | 0.0° |
| C21 | C24 | C25 | H241 | 180.0° | 180.0° |
| C21 | C24 | C25 | C26 | 0.1° | 0.0° |
| C21 | C24 | C25 | H251 | 179.9° | 180.0° |
| N28 | C29 | C30 | H292 | 120.8° | 120.0° |
| N28 | C29 | C30 | H291 | 120.8° | 120.0° |
| N28 | C29 | C30 | O32 | 165.3° | 5.1° |
| N28 | C29 | C30 | O31 | 15.2° | 174.9° |
| N28 | C29 | H292 | H291 | 117.6° | 120.0° |
| C29 | N28 | C33 | H332 | 123.5° | 30.1° |
| C29 | N28 | C33 | H331 | 6.4° | 150.0° |
| C20 | C27 | C26 | H271 | 180.0° | 179.9° |
| C20 | C27 | C26 | C25 | 0.3° | 0.0° |
| C20 | C27 | C26 | H261 | 179.7° | 180.0° |
| C27 | C20 | C03 | H031 | 158.1° | 147.8° |
| C29 | C30 | O32 | O31 | 179.5° | 180.0° |
| C30 | C29 | H292 | H291 | 117.6° | 120.0° |
| C29 | C30 | O31 | H1 | 179.6° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C24 | C25 | C26 | H251 | 180.0° | 179.9° |
| C24 | C25 | C26 | H261 | 180.0° | 180.0° |
| C27 | C26 | C25 | H261 | 180.0° | 180.0° |
| C27 | C26 | C25 | H251 | 180.0° | 180.0° |
| O32 | C30 | C29 | H292 | 44.5° | 114.9° |
| O32 | C30 | C29 | H291 | 74.0° | 125.1° |
| O32 | C30 | O31 | H1 | 0.0° | 0.1° |
| O31 | C30 | C29 | H292 | 136.0° | 65.1° |
| O31 | C30 | C29 | H291 | 105.6° | 54.9° |
| C26 | C25 | C24 | H241 | 179.8° | 180.0° |
| C25 | C26 | C27 | H271 | 179.7° | 180.0° |
| H101 | C10 | C09 | H091 | 0.1° | 0.3° |
| H241 | C24 | C25 | H251 | 0.2° | 0.0° |
| H261 | C26 | C25 | H251 | 0.0° | 0.1° |
| H261 | C26 | C27 | H271 | 0.3° | 0.0° |
| H031 | C03 | N04 | H041 | 146.8° | 158.7° |
| H232 | C23 | H233 | H231 | 119.9° | 120.0° |
| H351 | C35 | C36 | H361 | 0.6° | 0.0° |
| H361 | C36 | C37 | H371 | 0.2° | 0.0° |
