JTP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | H11 | sing | 1.10Å | 1.10Å | |
| C1 | H12 | sing | 1.10Å | 1.10Å | |
| C1 | H13 | sing | 1.10Å | 1.10Å | |
| C2 | C33 | sing | 1.53Å | 1.54Å | |
| C2 | N3 | sing | 1.45Å | 1.49Å | |
| C2 | C30 | sing | 1.53Å | 1.58Å | |
| N3 | C4 | sing | 1.40Å | 1.38Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| C4 | O29 | doub | 1.24Å | 1.23Å | |
| C4 | C5 | sing | 1.46Å | 1.49Å | |
| C5 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C5 | C28 | sing | 1.40Å | 1.43Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | C8 | doub | 1.41Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C8 | C9 | sing | 1.40Å | 1.44Å | Aromatic |
| C8 | C21 | sing | 1.42Å | 1.46Å | Aromatic |
| C9 | C28 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | N10 | sing | 1.38Å | 1.40Å | Aromatic |
| N10 | C20 | sing | 1.45Å | 1.50Å | |
| N10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.46Å | 1.52Å | Aromatic |
| C11 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.41Å | 1.43Å | Aromatic |
| C13 | O18 | sing | 1.37Å | 1.40Å | |
| C13 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C15 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C16 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.08Å | |
| O18 | C19 | sing | 1.43Å | 1.44Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C19 | H191 | sing | 1.10Å | 1.10Å | |
| C19 | H192 | sing | 1.10Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.10Å | 1.10Å | |
| C21 | C22 | sing | 1.51Å | 1.55Å | |
| C22 | C27 | sing | 1.54Å | 1.56Å | |
| C22 | C23 | sing | 1.54Å | 1.56Å | |
| C22 | H22 | sing | 1.10Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | H231 | sing | 1.10Å | 1.10Å | |
| C23 | H232 | sing | 1.10Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | H241 | sing | 1.10Å | 1.10Å | |
| C24 | H242 | sing | 1.10Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | H251 | sing | 1.10Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C26 | H261 | sing | 1.10Å | 1.10Å | |
| C26 | H262 | sing | 1.10Å | 1.10Å | |
| C27 | H271 | sing | 1.10Å | 1.10Å | |
| C27 | H272 | sing | 1.10Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.08Å | |
| C30 | O31 | doub | 1.23Å | 1.36Å | |
| C30 | O32 | sing | 1.36Å | 1.20Å | |
| O32 | H32 | sing | 0.98Å | 0.95Å | |
| C33 | H331 | sing | 1.10Å | 1.10Å | |
| C33 | H332 | sing | 1.10Å | 1.10Å | |
| C33 | H333 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 109.5° | 111.5° |
| C2 | C1 | H12 | 109.5° | 111.2° |
| C2 | C1 | H13 | 109.5° | 111.1° |
| C1 | C2 | C33 | 108.4° | 110.5° |
| C1 | C2 | N3 | 111.4° | 109.4° |
| C1 | C2 | C30 | 111.7° | 108.8° |
| H11 | C1 | H12 | 109.5° | 108.0° |
| H11 | C1 | H13 | 109.4° | 107.3° |
| H12 | C1 | H13 | 109.5° | 107.5° |
| C33 | C2 | N3 | 105.2° | 109.4° |
| C33 | C2 | C30 | 108.6° | 108.8° |
| C2 | C33 | H331 | 109.5° | 111.5° |
| C2 | C33 | H332 | 109.4° | 111.2° |
| C2 | C33 | H333 | 109.4° | 111.1° |
| N3 | C2 | C30 | 111.3° | 110.0° |
| C2 | N3 | C4 | 128.1° | 123.5° |
| C2 | N3 | HN3 | 115.9° | 117.1° |
| C2 | C30 | O31 | 113.3° | 123.9° |
| C2 | C30 | O32 | 124.2° | 113.5° |
| C4 | N3 | HN3 | 116.0° | 119.3° |
| N3 | C4 | O29 | 122.1° | 122.5° |
| N3 | C4 | C5 | 116.3° | 117.0° |
| O29 | C4 | C5 | 121.6° | 120.5° |
| C4 | C5 | C6 | 118.6° | 119.5° |
| C4 | C5 | C28 | 123.0° | 119.5° |
| C6 | C5 | C28 | 118.4° | 121.0° |
| C5 | C6 | C7 | 120.5° | 120.6° |
| C5 | C6 | H6 | 119.7° | 119.6° |
| C5 | C28 | C9 | 120.8° | 118.1° |
| C5 | C28 | H28 | 119.6° | 120.0° |
| C7 | C6 | H6 | 119.7° | 119.8° |
| C6 | C7 | C8 | 121.1° | 119.4° |
| C6 | C7 | H7 | 119.5° | 119.9° |
| C8 | C7 | H7 | 119.5° | 120.7° |
| C7 | C8 | C9 | 119.1° | 119.1° |
| C7 | C8 | C21 | 132.9° | 133.5° |
| C9 | C8 | C21 | 108.0° | 107.3° |
| C8 | C9 | C28 | 120.1° | 121.7° |
| C8 | C9 | N10 | 107.4° | 106.6° |
| C8 | C21 | C11 | 104.7° | 108.2° |
| C8 | C21 | C22 | 127.6° | 121.1° |
| C28 | C9 | N10 | 132.5° | 131.6° |
| C9 | C28 | H28 | 119.6° | 121.9° |
| C9 | N10 | C20 | 124.9° | 127.1° |
| C9 | N10 | C11 | 109.0° | 111.0° |
| C20 | N10 | C11 | 126.2° | 121.8° |
| N10 | C20 | C19 | 113.8° | 112.8° |
| N10 | C20 | H201 | 108.0° | 109.7° |
| N10 | C20 | H202 | 107.0° | 106.5° |
| N10 | C11 | C12 | 120.3° | 121.9° |
| N10 | C11 | C21 | 111.0° | 106.7° |
| C12 | C11 | C21 | 128.7° | 131.3° |
| C11 | C12 | C17 | 123.7° | 120.6° |
| C11 | C12 | C13 | 117.8° | 120.6° |
| C11 | C21 | C22 | 127.7° | 130.6° |
| C17 | C12 | C13 | 118.5° | 118.8° |
| C12 | C17 | C16 | 120.7° | 120.4° |
| C12 | C17 | H17 | 119.7° | 120.8° |
| C12 | C13 | O18 | 120.3° | 121.6° |
| C12 | C13 | C14 | 120.8° | 120.7° |
| O18 | C13 | C14 | 118.8° | 117.2° |
| C13 | O18 | C19 | 115.1° | 115.9° |
| C13 | C14 | C15 | 120.1° | 119.8° |
| C13 | C14 | H14 | 120.0° | 120.5° |
| C15 | C14 | H14 | 120.0° | 119.7° |
| C14 | C15 | C16 | 119.4° | 120.0° |
| C14 | C15 | H15 | 120.3° | 120.0° |
| C16 | C15 | H15 | 120.3° | 120.0° |
| C15 | C16 | C17 | 120.6° | 120.2° |
| C15 | C16 | H16 | 119.7° | 119.9° |
| C17 | C16 | H16 | 119.7° | 119.9° |
| C16 | C17 | H17 | 119.7° | 118.8° |
| O18 | C19 | C20 | 115.4° | 117.3° |
| O18 | C19 | H191 | 107.5° | 108.5° |
| O18 | C19 | H192 | 106.2° | 105.6° |
| C20 | C19 | H191 | 107.5° | 110.0° |
| C20 | C19 | H192 | 106.2° | 108.5° |
| C19 | C20 | H201 | 108.0° | 110.4° |
| C19 | C20 | H202 | 107.1° | 110.7° |
| H191 | C19 | H192 | 114.3° | 106.4° |
| H201 | C20 | H202 | 113.0° | 106.5° |
| C21 | C22 | C27 | 110.4° | 112.3° |
| C21 | C22 | C23 | 113.2° | 112.3° |
| C21 | C22 | H22 | 107.2° | 105.6° |
| C27 | C22 | C23 | 112.1° | 110.9° |
| C27 | C22 | H22 | 108.4° | 107.6° |
| C22 | C27 | C26 | 111.1° | 111.6° |
| C22 | C27 | H271 | 108.9° | 110.1° |
| C22 | C27 | H272 | 108.5° | 109.8° |
| C23 | C22 | H22 | 105.3° | 107.6° |
| C22 | C23 | C24 | 110.6° | 111.6° |
| C22 | C23 | H231 | 109.1° | 109.8° |
| C22 | C23 | H232 | 108.8° | 110.0° |
| C24 | C23 | H231 | 109.1° | 109.4° |
| C24 | C23 | H232 | 108.9° | 109.3° |
| C23 | C24 | C25 | 111.7° | 111.6° |
| C23 | C24 | H241 | 108.7° | 109.6° |
| C23 | C24 | H242 | 108.2° | 109.4° |
| H231 | C23 | H232 | 110.3° | 106.5° |
| C25 | C24 | H241 | 108.7° | 109.6° |
| C25 | C24 | H242 | 108.2° | 109.5° |
| C24 | C25 | C26 | 110.9° | 111.6° |
| C24 | C25 | H251 | 109.0° | 109.4° |
| C24 | C25 | H252 | 108.7° | 109.7° |
| H241 | C24 | H242 | 111.3° | 107.0° |
| C26 | C25 | H251 | 109.0° | 109.4° |
| C26 | C25 | H252 | 108.7° | 109.7° |
| C25 | C26 | C27 | 112.4° | 111.7° |
| C25 | C26 | H261 | 108.5° | 109.4° |
| C25 | C26 | H262 | 107.9° | 109.6° |
| H251 | C25 | H252 | 110.6° | 106.9° |
| C27 | C26 | H261 | 108.5° | 109.4° |
| C27 | C26 | H262 | 107.9° | 109.6° |
| C26 | C27 | H271 | 108.9° | 109.4° |
| C26 | C27 | H272 | 108.5° | 109.4° |
| H261 | C26 | H262 | 111.7° | 107.0° |
| H271 | C27 | H272 | 110.8° | 106.5° |
| O31 | C30 | O32 | 122.5° | 122.6° |
| C30 | O32 | H32 | 109.5° | 112.0° |
| H331 | C33 | H332 | 109.4° | 108.0° |
| H331 | C33 | H333 | 109.5° | 107.3° |
| H332 | C33 | H333 | 109.5° | 107.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 120.0° | 122.5° |
| C2 | C1 | H11 | H13 | 120.0° | 121.8° |
| C2 | C1 | H12 | H13 | 120.0° | 121.8° |
| C1 | C2 | C33 | N3 | 119.2° | 120.5° |
| C1 | C2 | C33 | C30 | 121.5° | 119.3° |
| C1 | C2 | N3 | C30 | 125.4° | 119.4° |
| C1 | C2 | N3 | C4 | 69.1° | 60.6° |
| C1 | C2 | N3 | HN3 | 110.9° | 115.3° |
| C1 | C2 | C30 | O31 | 26.6° | 60.0° |
| C1 | C2 | C30 | O32 | 154.8° | 119.9° |
| C1 | C2 | C33 | H331 | 78.8° | 58.6° |
| C1 | C2 | C33 | H332 | 161.2° | 62.1° |
| C1 | C2 | C33 | H333 | 41.2° | 178.3° |
| H11 | C1 | H12 | H13 | 120.0° | 115.5° |
| H11 | C1 | C2 | C33 | 114.0° | 58.5° |
| H11 | C1 | C2 | N3 | 1.3° | 179.0° |
| H11 | C1 | C2 | C30 | 126.4° | 60.8° |
| H12 | C1 | C2 | C33 | 6.1° | 62.1° |
| H12 | C1 | C2 | N3 | 121.3° | 58.3° |
| H12 | C1 | C2 | C30 | 113.6° | 178.5° |
| H13 | C1 | C2 | C33 | 126.1° | 178.2° |
| H13 | C1 | C2 | N3 | 118.7° | 61.4° |
| H13 | C1 | C2 | C30 | 6.4° | 58.8° |
| C33 | C2 | N3 | C30 | 117.4° | 119.4° |
| C33 | C2 | N3 | C4 | 173.7° | 60.6° |
| C33 | C2 | N3 | HN3 | 6.3° | 123.5° |
| C33 | C2 | C30 | O31 | 146.0° | 60.4° |
| C33 | C2 | C30 | O32 | 35.4° | 119.7° |
| C2 | C33 | H331 | H332 | 120.0° | 122.5° |
| C2 | C33 | H331 | H333 | 120.0° | 121.9° |
| C2 | C33 | H332 | H333 | 120.0° | 121.8° |
| C2 | N3 | C4 | HN3 | 180.0° | 175.8° |
| C2 | N3 | C4 | O29 | 2.0° | 0.1° |
| C2 | N3 | C4 | C5 | 177.4° | 178.9° |
| N3 | C2 | C30 | O31 | 98.6° | 179.8° |
| N3 | C2 | C30 | O32 | 80.0° | 0.1° |
| N3 | C2 | C33 | H331 | 40.4° | 179.0° |
| N3 | C2 | C33 | H332 | 79.5° | 58.4° |
| N3 | C2 | C33 | H333 | 160.4° | 61.2° |
| C30 | C2 | N3 | C4 | 56.2° | 180.0° |
| C30 | C2 | N3 | HN3 | 123.7° | 4.1° |
| C2 | C30 | O31 | O32 | 178.6° | 179.9° |
| C2 | C30 | O32 | H32 | 178.5° | 179.9° |
| C30 | C2 | C33 | H331 | 159.7° | 60.8° |
| C30 | C2 | C33 | H332 | 39.7° | 178.6° |
| C30 | C2 | C33 | H333 | 80.4° | 58.9° |
| N3 | C4 | O29 | C5 | 179.4° | 178.9° |
| N3 | C4 | C5 | C6 | 176.1° | 152.9° |
| N3 | C4 | C5 | C28 | 4.1° | 27.0° |
| HN3 | N3 | C4 | O29 | 178.0° | 175.9° |
| HN3 | N3 | C4 | C5 | 2.6° | 3.1° |
| O29 | C4 | C5 | C6 | 4.5° | 26.0° |
| O29 | C4 | C5 | C28 | 175.3° | 154.0° |
| C4 | C5 | C6 | C28 | 179.8° | 179.9° |
| C4 | C5 | C6 | C7 | 179.7° | 179.9° |
| C4 | C5 | C6 | H6 | 0.3° | 0.1° |
| C4 | C5 | C28 | C9 | 179.6° | 179.8° |
| C4 | C5 | C28 | H28 | 0.3° | 0.2° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C5 | C28 | C9 | 0.2° | 0.2° |
| C6 | C5 | C28 | H28 | 179.8° | 179.9° |
| C28 | C5 | C6 | C7 | 0.1° | 0.1° |
| C28 | C5 | C6 | H6 | 179.9° | 179.9° |
| C5 | C28 | C9 | C8 | 0.2° | 0.1° |
| C5 | C28 | C9 | H28 | 180.0° | 179.9° |
| C5 | C28 | C9 | N10 | 180.0° | 179.5° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.1° |
| C6 | C7 | C8 | C21 | 180.0° | 179.9° |
| H6 | C6 | C7 | C8 | 180.0° | 180.0° |
| H6 | C6 | C7 | H7 | 0.0° | 0.0° |
| C7 | C8 | C9 | C21 | 179.9° | 180.0° |
| C7 | C8 | C9 | C28 | 0.1° | 0.0° |
| C7 | C8 | C9 | N10 | 180.0° | 179.6° |
| C7 | C8 | C21 | C11 | 179.9° | 179.0° |
| C7 | C8 | C21 | C22 | 0.1° | 2.3° |
| H7 | C7 | C8 | C9 | 179.9° | 179.9° |
| H7 | C7 | C8 | C21 | 0.0° | 0.1° |
| C8 | C9 | C28 | N10 | 179.8° | 179.4° |
| C8 | C9 | N10 | C20 | 180.0° | 174.9° |
| C8 | C9 | N10 | C11 | 0.2° | 1.8° |
| C9 | C8 | C21 | C11 | 0.0° | 1.0° |
| C9 | C8 | C21 | C22 | 179.8° | 177.7° |
| C8 | C9 | C28 | H28 | 179.8° | 179.9° |
| C21 | C8 | C9 | C28 | 180.0° | 180.0° |
| C21 | C8 | C9 | N10 | 0.1° | 0.5° |
| C8 | C21 | C11 | N10 | 0.1° | 2.0° |
| C8 | C21 | C11 | C12 | 179.8° | 178.7° |
| C8 | C21 | C11 | C22 | 179.9° | 176.3° |
| C8 | C21 | C22 | C27 | 62.8° | 63.0° |
| C8 | C21 | C22 | C23 | 63.7° | 63.0° |
| C8 | C21 | C22 | H22 | 179.4° | 180.0° |
| C28 | C9 | N10 | C20 | 0.1° | 4.6° |
| C28 | C9 | N10 | C11 | 180.0° | 178.7° |
| C9 | N10 | C20 | C11 | 179.9° | 176.3° |
| C9 | N10 | C11 | C12 | 179.9° | 178.3° |
| C9 | N10 | C11 | C21 | 0.2° | 2.4° |
| C9 | N10 | C20 | C19 | 123.1° | 117.5° |
| C9 | N10 | C20 | H201 | 3.1° | 6.0° |
| C9 | N10 | C20 | H202 | 118.8° | 120.9° |
| N10 | C9 | C28 | H28 | 0.0° | 0.5° |
| C20 | N10 | C11 | C12 | 0.2° | 4.9° |
| C20 | N10 | C11 | C21 | 180.0° | 174.5° |
| N10 | C20 | C19 | O18 | 23.0° | 39.8° |
| N10 | C20 | C19 | H201 | 120.0° | 123.1° |
| N10 | C20 | C19 | H202 | 118.1° | 119.3° |
| N10 | C20 | C19 | H191 | 143.0° | 164.3° |
| N10 | C20 | C19 | H192 | 94.3° | 79.7° |
| N10 | C20 | H201 | H202 | 118.2° | 114.9° |
| N10 | C11 | C12 | C21 | 179.7° | 179.2° |
| N10 | C11 | C12 | C17 | 132.8° | 138.9° |
| N10 | C11 | C12 | C13 | 46.9° | 40.3° |
| C11 | N10 | C20 | C19 | 57.0° | 66.2° |
| C11 | N10 | C20 | H201 | 177.0° | 170.3° |
| C11 | N10 | C20 | H202 | 61.1° | 55.4° |
| N10 | C11 | C21 | C22 | 179.9° | 178.3° |
| C11 | C12 | C17 | C13 | 179.7° | 179.2° |
| C11 | C12 | C13 | O18 | 0.0° | 7.4° |
| C11 | C12 | C13 | C14 | 179.9° | 179.7° |
| C11 | C12 | C17 | C16 | 179.9° | 179.3° |
| C11 | C12 | C17 | H17 | 0.1° | 0.2° |
| C12 | C11 | C21 | C22 | 0.3° | 2.4° |
| C21 | C11 | C12 | C17 | 47.5° | 40.2° |
| C21 | C11 | C12 | C13 | 132.8° | 140.5° |
| C11 | C21 | C22 | C27 | 117.1° | 121.1° |
| C11 | C21 | C22 | C23 | 116.4° | 112.9° |
| C11 | C21 | C22 | H22 | 0.8° | 4.1° |
| C17 | C12 | C13 | O18 | 179.7° | 173.4° |
| C17 | C12 | C13 | C14 | 0.2° | 1.1° |
| C12 | C17 | C16 | C15 | 0.1° | 0.5° |
| C12 | C17 | C16 | H17 | 180.0° | 179.5° |
| C12 | C17 | C16 | H16 | 179.9° | 179.7° |
| C12 | C13 | O18 | C14 | 179.9° | 172.6° |
| C12 | C13 | C14 | C15 | 0.1° | 1.7° |
| C12 | C13 | C14 | H14 | 179.9° | 177.9° |
| C13 | C12 | C17 | C16 | 0.2° | 0.1° |
| C13 | C12 | C17 | H17 | 179.8° | 179.5° |
| C12 | C13 | O18 | C19 | 76.6° | 71.7° |
| O18 | C13 | C14 | C15 | 179.8° | 174.3° |
| O18 | C13 | C14 | H14 | 0.2° | 5.3° |
| C13 | O18 | C19 | C20 | 58.3° | 42.1° |
| C13 | O18 | C19 | H191 | 61.7° | 83.2° |
| C13 | O18 | C19 | H192 | 175.6° | 163.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.5° |
| C13 | C14 | C15 | C16 | 0.0° | 1.1° |
| C13 | C14 | C15 | H15 | 180.0° | 179.5° |
| C14 | C13 | O18 | C19 | 103.3° | 115.8° |
| C14 | C15 | C16 | H15 | 180.0° | 179.4° |
| C14 | C15 | C16 | C17 | 0.0° | 0.1° |
| C14 | C15 | C16 | H16 | 180.0° | 179.8° |
| H14 | C14 | C15 | C16 | 180.0° | 178.4° |
| H14 | C14 | C15 | H15 | 0.0° | 0.9° |
| C15 | C16 | C17 | H16 | 180.0° | 179.8° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| H15 | C15 | C16 | C17 | 180.0° | 179.4° |
| H15 | C15 | C16 | H16 | 0.1° | 0.4° |
| H16 | C16 | C17 | H17 | 0.1° | 0.2° |
| O18 | C19 | C20 | H191 | 120.0° | 124.6° |
| O18 | C19 | C20 | H192 | 117.3° | 119.4° |
| O18 | C19 | H191 | H192 | 117.5° | 113.2° |
| O18 | C19 | C20 | H201 | 143.0° | 162.9° |
| O18 | C19 | C20 | H202 | 95.1° | 79.5° |
| C20 | C19 | H191 | H192 | 117.6° | 117.3° |
| C19 | C20 | H201 | H202 | 118.2° | 120.2° |
| H191 | C19 | C20 | H201 | 97.0° | 72.6° |
| H191 | C19 | C20 | H202 | 25.0° | 45.1° |
| H192 | C19 | C20 | H201 | 25.7° | 43.4° |
| H192 | C19 | C20 | H202 | 147.7° | 161.1° |
| C21 | C22 | C27 | C23 | 127.1° | 126.7° |
| C21 | C22 | C27 | H22 | 117.1° | 115.8° |
| C21 | C22 | C23 | H22 | 116.7° | 115.8° |
| C21 | C22 | C23 | C24 | 179.6° | 179.0° |
| C21 | C22 | C23 | H231 | 59.6° | 59.5° |
| C21 | C22 | C23 | H232 | 60.9° | 57.4° |
| C21 | C22 | C27 | C26 | 179.9° | 179.0° |
| C21 | C22 | C27 | H271 | 60.1° | 57.4° |
| C21 | C22 | C27 | H272 | 60.6° | 59.5° |
| C27 | C22 | C23 | H22 | 117.7° | 117.5° |
| C27 | C22 | C23 | C24 | 54.0° | 54.3° |
| C27 | C22 | C23 | H231 | 66.0° | 67.2° |
| C27 | C22 | C23 | H232 | 173.5° | 175.9° |
| C22 | C27 | C26 | C25 | 53.5° | 54.7° |
| C22 | C27 | C26 | H271 | 120.0° | 122.0° |
| C22 | C27 | C26 | H272 | 119.3° | 121.7° |
| C22 | C27 | C26 | H261 | 173.5° | 66.7° |
| C22 | C27 | C26 | H262 | 65.3° | 176.4° |
| C22 | C27 | H271 | H272 | 119.3° | 118.9° |
| C22 | C23 | C24 | H231 | 120.0° | 121.7° |
| C22 | C23 | C24 | H232 | 119.5° | 122.0° |
| C22 | C23 | H231 | H232 | 119.5° | 119.1° |
| C22 | C23 | C24 | C25 | 55.9° | 54.7° |
| C22 | C23 | C24 | H241 | 175.9° | 176.4° |
| C22 | C23 | C24 | H242 | 63.1° | 66.6° |
| C23 | C22 | C27 | C26 | 52.8° | 54.3° |
| C23 | C22 | C27 | H271 | 172.8° | 175.9° |
| C23 | C22 | C27 | H272 | 66.5° | 67.2° |
| H22 | C22 | C23 | C24 | 63.7° | 63.1° |
| H22 | C22 | C23 | H231 | 176.3° | 175.4° |
| H22 | C22 | C23 | H232 | 55.8° | 58.5° |
| H22 | C22 | C27 | C26 | 63.0° | 63.2° |
| H22 | C22 | C27 | H271 | 57.0° | 58.5° |
| H22 | C22 | C27 | H272 | 177.7° | 175.4° |
| C24 | C23 | H231 | H232 | 119.5° | 118.1° |
| C23 | C24 | C25 | H241 | 120.0° | 121.7° |
| C23 | C24 | C25 | H242 | 119.0° | 121.3° |
| C23 | C24 | H241 | H242 | 119.1° | 118.5° |
| C23 | C24 | C25 | C26 | 56.7° | 54.7° |
| C23 | C24 | C25 | H251 | 63.4° | 66.6° |
| C23 | C24 | C25 | H252 | 176.1° | 176.5° |
| H231 | C23 | C24 | C25 | 64.1° | 67.0° |
| H231 | C23 | C24 | H241 | 55.9° | 54.6° |
| H231 | C23 | C24 | H242 | 176.9° | 171.7° |
| H232 | C23 | C24 | C25 | 175.5° | 176.7° |
| H232 | C23 | C24 | H241 | 64.5° | 61.7° |
| H232 | C23 | C24 | H242 | 56.5° | 55.4° |
| C25 | C24 | H241 | H242 | 119.1° | 118.6° |
| C24 | C25 | C26 | H251 | 120.0° | 121.3° |
| C24 | C25 | C26 | H252 | 119.4° | 121.8° |
| C24 | C25 | H251 | H252 | 119.4° | 118.7° |
| C24 | C25 | C26 | C27 | 55.4° | 54.7° |
| C24 | C25 | C26 | H261 | 175.5° | 66.6° |
| C24 | C25 | C26 | H262 | 63.3° | 176.4° |
| H241 | C24 | C25 | C26 | 176.6° | 176.4° |
| H241 | C24 | C25 | H251 | 56.6° | 55.1° |
| H241 | C24 | C25 | H252 | 64.0° | 61.9° |
| H242 | C24 | C25 | C26 | 62.4° | 66.6° |
| H242 | C24 | C25 | H251 | 177.6° | 172.2° |
| H242 | C24 | C25 | H252 | 57.0° | 55.2° |
| C26 | C25 | H251 | H252 | 119.4° | 118.7° |
| C25 | C26 | C27 | H261 | 120.0° | 121.3° |
| C25 | C26 | C27 | H262 | 118.8° | 121.7° |
| C25 | C26 | H261 | H262 | 118.8° | 118.7° |
| C25 | C26 | C27 | H271 | 173.5° | 176.7° |
| C25 | C26 | C27 | H272 | 65.8° | 67.0° |
| H251 | C25 | C26 | C27 | 64.6° | 66.5° |
| H251 | C25 | C26 | H261 | 55.4° | 172.2° |
| H251 | C25 | C26 | H262 | 176.6° | 55.2° |
| H252 | C25 | C26 | C27 | 174.8° | 176.5° |
| H252 | C25 | C26 | H261 | 65.1° | 55.2° |
| H252 | C25 | C26 | H262 | 56.1° | 61.8° |
| C27 | C26 | H261 | H262 | 118.8° | 118.6° |
| C26 | C27 | H271 | H272 | 119.3° | 118.1° |
| H261 | C26 | C27 | H271 | 66.5° | 55.4° |
| H261 | C26 | C27 | H272 | 54.2° | 171.7° |
| H262 | C26 | C27 | H271 | 54.7° | 61.6° |
| H262 | C26 | C27 | H272 | 175.4° | 54.7° |
| O31 | C30 | O32 | H32 | 0.0° | 0.0° |
| H331 | C33 | H332 | H333 | 120.0° | 115.5° |
