J4A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C10 | sing | 1.36Å | 1.40Å | |
| C09 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.48Å | 1.47Å | |
| C25 | C01 | sing | 1.51Å | 1.49Å | |
| C06 | C01 | doub | 1.37Å | 1.37Å | |
| C06 | C05 | sing | 1.42Å | 1.41Å | |
| C01 | N02 | sing | 1.36Å | 1.38Å | |
| O14 | C05 | doub | 1.22Å | 1.25Å | |
| C05 | N04 | sing | 1.35Å | 1.36Å | |
| N02 | C03 | sing | 1.39Å | 1.34Å | |
| N04 | C03 | sing | 1.37Å | 1.39Å | Aromatic |
| N04 | N15 | sing | 1.40Å | 1.35Å | Aromatic |
| C03 | C17 | doub | 1.36Å | 1.42Å | Aromatic |
| N15 | C16 | doub | 1.32Å | 1.34Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.45Å | Aromatic |
| C17 | N18 | sing | 1.41Å | 1.34Å | |
| C16 | C19 | sing | 1.48Å | 1.46Å | |
| N18 | C26 | sing | 1.47Å | 1.46Å | |
| N18 | C30 | sing | 1.47Å | 1.45Å | |
| C26 | C27 | sing | 1.53Å | 1.49Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C30 | C29 | sing | 1.53Å | 1.47Å | |
| C19 | C20 | doub | 1.39Å | 1.37Å | Aromatic |
| C19 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C10 | C09 | 120.0° | 119.9° |
| O13 | C10 | C11 | 117.6° | 119.9° |
| C10 | O13 | H131 | 109.5° | 114.0° |
| C10 | C09 | C08 | 118.6° | 120.1° |
| C09 | C10 | C11 | 122.4° | 120.2° |
| C10 | C09 | H091 | 120.7° | 120.0° |
| C09 | C08 | C07 | 121.0° | 119.9° |
| C09 | C08 | H081 | 119.5° | 120.0° |
| C08 | C09 | H091 | 120.6° | 120.0° |
| C10 | C11 | C12 | 117.9° | 120.1° |
| C10 | C11 | H111 | 121.1° | 120.0° |
| C08 | C07 | C12 | 118.2° | 119.9° |
| C08 | C07 | C06 | 123.3° | 120.1° |
| C07 | C08 | H081 | 119.5° | 120.1° |
| C11 | C12 | C07 | 122.0° | 119.9° |
| C12 | C11 | H111 | 121.1° | 119.9° |
| C11 | C12 | H121 | 119.0° | 120.0° |
| C12 | C07 | C06 | 118.3° | 120.1° |
| C07 | C12 | H121 | 119.0° | 120.0° |
| C07 | C06 | C01 | 125.7° | 120.2° |
| C07 | C06 | C05 | 117.2° | 120.2° |
| C25 | C01 | C06 | 122.6° | 120.1° |
| C25 | C01 | N02 | 114.4° | 120.0° |
| C01 | C25 | H251 | 109.5° | 109.5° |
| C01 | C25 | H252 | 109.5° | 109.4° |
| C01 | C25 | H253 | 109.4° | 109.4° |
| C01 | C06 | C05 | 116.9° | 119.7° |
| C06 | C01 | N02 | 123.0° | 119.9° |
| C06 | C05 | O14 | 124.4° | 120.1° |
| C06 | C05 | N04 | 120.4° | 119.8° |
| C01 | N02 | C03 | 118.4° | 120.3° |
| C01 | N02 | H021 | 120.8° | 119.9° |
| O14 | C05 | N04 | 115.2° | 120.1° |
| C05 | N04 | C03 | 119.7° | 120.1° |
| C05 | N04 | N15 | 127.9° | 132.0° |
| N02 | C03 | N04 | 121.6° | 120.4° |
| N02 | C03 | C17 | 132.0° | 132.1° |
| C03 | N02 | H021 | 120.8° | 119.8° |
| C03 | N04 | N15 | 112.5° | 107.9° |
| N04 | C03 | C17 | 106.4° | 107.5° |
| N04 | N15 | C16 | 106.1° | 108.4° |
| C03 | C17 | C16 | 103.4° | 107.8° |
| C03 | C17 | N18 | 127.5° | 126.1° |
| N15 | C16 | C17 | 111.6° | 108.3° |
| N15 | C16 | C19 | 119.8° | 125.8° |
| C16 | C17 | N18 | 128.9° | 126.1° |
| C17 | C16 | C19 | 128.6° | 125.9° |
| C17 | N18 | C26 | 118.3° | 111.0° |
| C17 | N18 | C30 | 118.9° | 111.0° |
| C16 | C19 | C20 | 122.4° | 120.1° |
| C16 | C19 | C24 | 119.2° | 120.1° |
| C26 | N18 | C30 | 113.4° | 111.2° |
| N18 | C26 | C27 | 116.8° | 109.5° |
| N18 | C26 | H261 | 107.6° | 109.4° |
| N18 | C26 | H262 | 107.6° | 109.4° |
| N18 | C30 | C29 | 115.9° | 109.5° |
| N18 | C30 | H301 | 107.8° | 109.4° |
| N18 | C30 | H302 | 107.9° | 109.4° |
| C26 | C27 | C28 | 112.0° | 109.3° |
| C27 | C26 | H261 | 107.6° | 109.5° |
| C27 | C26 | H262 | 107.6° | 109.5° |
| C26 | C27 | H272 | 108.8° | 109.5° |
| C26 | C27 | H271 | 108.8° | 109.5° |
| C27 | C28 | C29 | 111.7° | 109.1° |
| C27 | C28 | H281 | 108.9° | 109.5° |
| C27 | C28 | H282 | 108.9° | 109.5° |
| C28 | C27 | H272 | 108.8° | 109.5° |
| C28 | C27 | H271 | 108.8° | 109.5° |
| C30 | C29 | C28 | 111.4° | 109.3° |
| C30 | C29 | H292 | 109.0° | 109.5° |
| C30 | C29 | H291 | 109.0° | 109.5° |
| C29 | C30 | H301 | 107.8° | 109.5° |
| C29 | C30 | H302 | 107.8° | 109.5° |
| C20 | C19 | C24 | 118.3° | 119.7° |
| C19 | C20 | C21 | 120.8° | 119.9° |
| C19 | C20 | H201 | 119.6° | 120.1° |
| C19 | C24 | C23 | 120.7° | 119.9° |
| C19 | C24 | H241 | 119.7° | 120.0° |
| C20 | C21 | C22 | 120.7° | 120.1° |
| C21 | C20 | H201 | 119.6° | 120.1° |
| C20 | C21 | H211 | 119.7° | 119.9° |
| C29 | C28 | H281 | 108.9° | 109.5° |
| C29 | C28 | H282 | 108.9° | 109.6° |
| C28 | C29 | H292 | 109.0° | 109.5° |
| C28 | C29 | H291 | 109.0° | 109.5° |
| C24 | C23 | C22 | 120.6° | 120.1° |
| C23 | C24 | H241 | 119.7° | 120.1° |
| C24 | C23 | H231 | 119.7° | 119.9° |
| C21 | C22 | C23 | 118.9° | 120.3° |
| C22 | C21 | H211 | 119.7° | 120.0° |
| C21 | C22 | H221 | 120.5° | 119.9° |
| C23 | C22 | H221 | 120.6° | 119.9° |
| C22 | C23 | H231 | 119.7° | 119.9° |
| H261 | C26 | H262 | 109.5° | 109.4° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.4° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C10 | C09 | C11 | 178.8° | 179.8° |
| O13 | C10 | C09 | C08 | 179.4° | 179.7° |
| O13 | C10 | C11 | C12 | 179.9° | 179.7° |
| O13 | C10 | C09 | H091 | 0.6° | 0.2° |
| O13 | C10 | C11 | H111 | 0.0° | 0.2° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 1.4° | 0.1° |
| C09 | C10 | C11 | C12 | 1.1° | 0.1° |
| C10 | C09 | C08 | H081 | 178.6° | 180.0° |
| C09 | C10 | C11 | H111 | 178.9° | 180.0° |
| C09 | C10 | O13 | H131 | 180.0° | 89.7° |
| C08 | C09 | C10 | C11 | 0.6° | 0.1° |
| C09 | C08 | C07 | H081 | 180.0° | 180.0° |
| C09 | C08 | C07 | C12 | 2.7° | 0.0° |
| C09 | C08 | C07 | C06 | 177.9° | 180.0° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C10 | C11 | C12 | C07 | 0.3° | 0.0° |
| C11 | C10 | C09 | H091 | 179.4° | 180.0° |
| C10 | C11 | C12 | H121 | 179.7° | 179.9° |
| C11 | C10 | O13 | H131 | 1.2° | 90.1° |
| C08 | C07 | C12 | C11 | 2.2° | 0.0° |
| C08 | C07 | C12 | C06 | 175.5° | 180.0° |
| C08 | C07 | C06 | C01 | 59.6° | 115.0° |
| C08 | C07 | C06 | C05 | 124.1° | 65.1° |
| C07 | C08 | C09 | H091 | 178.6° | 180.0° |
| C08 | C07 | C12 | H121 | 177.8° | 180.0° |
| C11 | C12 | C07 | H121 | 180.0° | 180.0° |
| C11 | C12 | C07 | C06 | 177.7° | 180.0° |
| C12 | C07 | C06 | C01 | 115.6° | 65.0° |
| C12 | C07 | C06 | C05 | 60.7° | 115.0° |
| C12 | C07 | C08 | H081 | 177.2° | 180.0° |
| C07 | C12 | C11 | H111 | 179.7° | 180.0° |
| C07 | C06 | C01 | C25 | 5.0° | 0.0° |
| C07 | C06 | C01 | C05 | 176.3° | 180.0° |
| C07 | C06 | C01 | N02 | 177.1° | 180.0° |
| C07 | C06 | C05 | O14 | 6.1° | 0.1° |
| C07 | C06 | C05 | N04 | 176.1° | 180.0° |
| C06 | C07 | C08 | H081 | 2.0° | 0.0° |
| C06 | C07 | C12 | H121 | 2.4° | 0.0° |
| C25 | C01 | C06 | N02 | 177.9° | 179.9° |
| C25 | C01 | C06 | C05 | 178.7° | 179.9° |
| C25 | C01 | N02 | C03 | 179.3° | 180.0° |
| C01 | C25 | H251 | H252 | 120.0° | 120.0° |
| C01 | C25 | H251 | H253 | 120.0° | 120.0° |
| C01 | C25 | H252 | H253 | 119.9° | 119.9° |
| C25 | C01 | N02 | H021 | 0.8° | 0.1° |
| C01 | C06 | C05 | O14 | 177.2° | 180.0° |
| C01 | C06 | C05 | N04 | 0.5° | 0.1° |
| C06 | C01 | N02 | C03 | 2.7° | 0.0° |
| C06 | C01 | C25 | H251 | 180.0° | 180.0° |
| C06 | C01 | C25 | H252 | 60.0° | 60.0° |
| C06 | C01 | C25 | H253 | 60.0° | 59.9° |
| C06 | C01 | N02 | H021 | 177.3° | 180.0° |
| C05 | C06 | C01 | N02 | 0.8° | 0.0° |
| C06 | C05 | O14 | N04 | 177.9° | 179.9° |
| C06 | C05 | N04 | C03 | 0.1° | 0.1° |
| C06 | C05 | N04 | N15 | 178.9° | 179.7° |
| C01 | N02 | C03 | H021 | 180.0° | 179.9° |
| C01 | N02 | C03 | N04 | 3.3° | 0.0° |
| C01 | N02 | C03 | C17 | 178.7° | 180.0° |
| N02 | C01 | C25 | H251 | 1.9° | 0.0° |
| N02 | C01 | C25 | H252 | 122.0° | 120.0° |
| N02 | C01 | C25 | H253 | 118.1° | 120.0° |
| O14 | C05 | N04 | C03 | 178.0° | 180.0° |
| O14 | C05 | N04 | N15 | 3.1° | 0.4° |
| C05 | N04 | C03 | N02 | 2.0° | 0.0° |
| C05 | N04 | C03 | N15 | 179.0° | 179.7° |
| C05 | N04 | C03 | C17 | 179.5° | 180.0° |
| C05 | N04 | N15 | C16 | 177.6° | 179.9° |
| N02 | C03 | N04 | C17 | 178.4° | 180.0° |
| N02 | C03 | N04 | N15 | 178.9° | 179.8° |
| N02 | C03 | C17 | C16 | 179.8° | 180.0° |
| N02 | C03 | C17 | N18 | 4.8° | 0.3° |
| C03 | N04 | N15 | C16 | 1.4° | 0.4° |
| N04 | C03 | C17 | C16 | 2.0° | 0.0° |
| N04 | C03 | C17 | N18 | 177.0° | 179.7° |
| N04 | C03 | N02 | H021 | 176.7° | 179.9° |
| N15 | N04 | C03 | C17 | 0.5° | 0.2° |
| N04 | N15 | C16 | C17 | 2.7° | 0.4° |
| N04 | N15 | C16 | C19 | 177.8° | 179.7° |
| C03 | C17 | C16 | N15 | 3.0° | 0.3° |
| C03 | C17 | C16 | N18 | 174.9° | 179.7° |
| C03 | C17 | C16 | C19 | 177.6° | 179.8° |
| C03 | C17 | N18 | C26 | 69.0° | 61.4° |
| C03 | C17 | N18 | C30 | 146.8° | 62.8° |
| C17 | C03 | N02 | H021 | 1.3° | 0.0° |
| N15 | C16 | C17 | C19 | 179.5° | 179.9° |
| N15 | C16 | C17 | N18 | 177.9° | 180.0° |
| N15 | C16 | C19 | C20 | 70.8° | 139.4° |
| N15 | C16 | C19 | C24 | 105.7° | 40.7° |
| C16 | C17 | N18 | C26 | 104.7° | 118.9° |
| C16 | C17 | N18 | C30 | 39.5° | 116.9° |
| C17 | C16 | C19 | C20 | 108.6° | 40.5° |
| C17 | C16 | C19 | C24 | 74.9° | 139.4° |
| N18 | C17 | C16 | C19 | 2.7° | 0.1° |
| C17 | N18 | C26 | C30 | 146.1° | 124.1° |
| C17 | N18 | C26 | C27 | 169.5° | 174.2° |
| C17 | N18 | C30 | C29 | 167.1° | 174.2° |
| C17 | N18 | C26 | H261 | 69.5° | 54.1° |
| C17 | N18 | C26 | H262 | 48.4° | 65.8° |
| C17 | N18 | C30 | H301 | 46.2° | 65.8° |
| C17 | N18 | C30 | H302 | 71.9° | 54.1° |
| C16 | C19 | C20 | C24 | 176.5° | 180.0° |
| C16 | C19 | C20 | C21 | 177.5° | 180.0° |
| C16 | C19 | C24 | C23 | 178.4° | 179.5° |
| C16 | C19 | C20 | H201 | 2.5° | 0.3° |
| C16 | C19 | C24 | H241 | 1.6° | 0.2° |
| N18 | C26 | C27 | H261 | 121.1° | 120.0° |
| N18 | C26 | C27 | H262 | 121.1° | 120.0° |
| N18 | C26 | C27 | C28 | 46.3° | 59.2° |
| C26 | N18 | C30 | C29 | 47.0° | 61.7° |
| N18 | C26 | H261 | H262 | 116.7° | 119.9° |
| N18 | C26 | C27 | H272 | 166.6° | 179.1° |
| N18 | C26 | C27 | H271 | 74.1° | 60.8° |
| C26 | N18 | C30 | H301 | 167.9° | 58.3° |
| C26 | N18 | C30 | H302 | 73.9° | 178.2° |
| C30 | N18 | C26 | C27 | 44.4° | 61.8° |
| N18 | C30 | C29 | H301 | 120.9° | 120.0° |
| N18 | C30 | C29 | H302 | 120.9° | 120.0° |
| N18 | C30 | C29 | C28 | 51.1° | 59.2° |
| C30 | N18 | C26 | H261 | 76.6° | 178.2° |
| C30 | N18 | C26 | H262 | 165.5° | 58.3° |
| N18 | C30 | C29 | H292 | 69.2° | 179.2° |
| N18 | C30 | C29 | H291 | 171.4° | 60.8° |
| N18 | C30 | H301 | H302 | 117.1° | 119.9° |
| C26 | C27 | C28 | H272 | 120.4° | 119.9° |
| C26 | C27 | C28 | H271 | 120.4° | 120.0° |
| C26 | C27 | C28 | C29 | 48.9° | 57.7° |
| C27 | C26 | H261 | H262 | 116.6° | 120.1° |
| C26 | C27 | C28 | H281 | 71.4° | 62.2° |
| C26 | C27 | C28 | H282 | 169.2° | 177.7° |
| C26 | C27 | H272 | H271 | 118.8° | 120.1° |
| C27 | C28 | C29 | C30 | 51.4° | 57.7° |
| C27 | C28 | C29 | H281 | 120.3° | 119.9° |
| C27 | C28 | C29 | H282 | 120.3° | 119.9° |
| C28 | C27 | C26 | H261 | 74.8° | 179.2° |
| C28 | C27 | C26 | H262 | 167.3° | 60.8° |
| C27 | C28 | H281 | H282 | 119.0° | 120.1° |
| C28 | C27 | H272 | H271 | 118.9° | 120.1° |
| C27 | C28 | C29 | H292 | 68.9° | 177.6° |
| C27 | C28 | C29 | H291 | 171.7° | 62.3° |
| C30 | C29 | C28 | H292 | 120.3° | 120.0° |
| C30 | C29 | C28 | H291 | 120.3° | 120.0° |
| C30 | C29 | C28 | H281 | 68.9° | 62.2° |
| C30 | C29 | C28 | H282 | 171.7° | 177.6° |
| C30 | C29 | H292 | H291 | 119.1° | 120.1° |
| C29 | C30 | H301 | H302 | 117.0° | 120.1° |
| C19 | C20 | C21 | H201 | 180.0° | 179.7° |
| C20 | C19 | C24 | C23 | 1.8° | 0.5° |
| C19 | C20 | C21 | C22 | 0.5° | 0.3° |
| C19 | C20 | C21 | H211 | 179.5° | 179.7° |
| C20 | C19 | C24 | H241 | 178.2° | 179.7° |
| C24 | C19 | C20 | C21 | 1.0° | 0.0° |
| C19 | C24 | C23 | H241 | 180.0° | 179.2° |
| C19 | C24 | C23 | C22 | 1.1° | 0.7° |
| C24 | C19 | C20 | H201 | 179.0° | 179.7° |
| C19 | C24 | C23 | H231 | 178.9° | 180.0° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.2° | 0.0° |
| C20 | C21 | C22 | H221 | 178.8° | 180.0° |
| C29 | C28 | H281 | H282 | 119.0° | 120.2° |
| C29 | C28 | C27 | H272 | 169.2° | 177.6° |
| C29 | C28 | C27 | H271 | 71.5° | 62.3° |
| C28 | C29 | H292 | H291 | 119.1° | 120.1° |
| C28 | C29 | C30 | H301 | 172.0° | 60.8° |
| C28 | C29 | C30 | H302 | 69.8° | 179.2° |
| C24 | C23 | C22 | C21 | 0.4° | 0.5° |
| C24 | C23 | C22 | H231 | 180.0° | 179.3° |
| C24 | C23 | C22 | H221 | 179.6° | 179.5° |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C22 | C21 | C20 | H201 | 179.5° | 180.0° |
| C21 | C22 | C23 | H231 | 179.6° | 179.8° |
| C23 | C22 | C21 | H211 | 178.8° | 180.0° |
| C22 | C23 | C24 | H241 | 178.9° | 180.0° |
| H201 | C20 | C21 | H211 | 0.5° | 0.0° |
| H211 | C21 | C22 | H221 | 1.2° | 0.0° |
| H221 | C22 | C23 | H231 | 0.4° | 0.2° |
| H241 | C24 | C23 | H231 | 1.1° | 0.7° |
| H261 | C26 | C27 | H272 | 45.6° | 60.9° |
| H261 | C26 | C27 | H271 | 164.8° | 59.2° |
| H262 | C26 | C27 | H272 | 72.3° | 59.1° |
| H262 | C26 | C27 | H271 | 46.9° | 179.2° |
| H281 | C28 | C27 | H272 | 48.9° | 57.7° |
| H281 | C28 | C27 | H271 | 168.2° | 177.8° |
| H281 | C28 | C29 | H292 | 170.8° | 57.7° |
| H281 | C28 | C29 | H291 | 51.4° | 177.8° |
| H282 | C28 | C27 | H272 | 70.4° | 62.4° |
| H282 | C28 | C27 | H271 | 48.9° | 57.7° |
| H282 | C28 | C29 | H292 | 51.4° | 62.4° |
| H282 | C28 | C29 | H291 | 68.0° | 57.6° |
| H081 | C08 | C09 | H091 | 1.4° | 0.0° |
| H111 | C11 | C12 | H121 | 0.3° | 0.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.1° |
| H292 | C29 | C30 | H301 | 51.8° | 59.2° |
| H292 | C29 | C30 | H302 | 169.9° | 60.9° |
| H291 | C29 | C30 | H301 | 67.7° | 179.2° |
| H291 | C29 | C30 | H302 | 50.5° | 59.2° |
