199
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.44Å | Aromatic |
| C01 | C09 | sing | 1.39Å | 1.42Å | Aromatic |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C02 | C03 | sing | 1.40Å | 1.42Å | Aromatic |
| C02 | C15 | sing | 1.48Å | 1.48Å | Aromatic |
| C03 | N04 | doub | 1.31Å | 1.35Å | Aromatic |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| N04 | C05 | sing | 1.33Å | 1.35Å | Aromatic |
| C05 | N06 | sing | 1.37Å | 1.38Å | Aromatic |
| C05 | C09 | doub | 1.41Å | 1.41Å | Aromatic |
| N06 | C07 | sing | 1.37Å | 1.40Å | Aromatic |
| N06 | H06 | sing | 0.97Å | 1.00Å | |
| C07 | C08 | doub | 1.35Å | 1.36Å | Aromatic |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C08 | C09 | sing | 1.47Å | 1.45Å | Aromatic |
| C08 | N10 | sing | 1.41Å | 1.40Å | |
| N10 | C17 | sing | 1.35Å | 1.35Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.39Å | 1.45Å | Aromatic |
| C11 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.39Å | 1.43Å | Aromatic |
| C12 | N30 | sing | 1.40Å | 1.44Å | |
| C13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.39Å | 1.45Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.39Å | 1.44Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | O18 | doub | 1.22Å | 1.21Å | |
| C17 | C23 | sing | 1.48Å | 1.49Å | |
| C19 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C19 | C24 | doub | 1.38Å | 1.46Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | N21 | doub | 1.32Å | 1.38Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| N21 | C22 | sing | 1.32Å | 1.37Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.43Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.40Å | 1.43Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | N30 | sing | 1.47Å | 1.48Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | N27 | sing | 1.47Å | 1.50Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| N27 | C28 | sing | 1.47Å | 1.50Å | |
| N27 | C31 | sing | 1.47Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.57Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | N30 | sing | 1.47Å | 1.48Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C09 | 115.2° | 118.0° |
| C02 | C01 | H01 | 122.4° | 120.9° |
| C01 | C02 | C03 | 118.7° | 119.1° |
| C01 | C02 | C15 | 122.9° | 120.4° |
| C09 | C01 | H01 | 122.4° | 121.0° |
| C01 | C09 | C05 | 120.4° | 119.6° |
| C01 | C09 | C08 | 132.2° | 134.1° |
| C03 | C02 | C15 | 118.4° | 120.4° |
| C02 | C03 | N04 | 125.6° | 121.4° |
| C02 | C03 | H03 | 117.2° | 119.3° |
| C02 | C15 | C14 | 120.1° | 120.0° |
| C02 | C15 | C16 | 120.7° | 120.0° |
| N04 | C03 | H03 | 117.2° | 119.3° |
| C03 | N04 | C05 | 115.1° | 121.9° |
| N04 | C05 | N06 | 128.1° | 132.9° |
| N04 | C05 | C09 | 124.9° | 120.0° |
| N06 | C05 | C09 | 106.9° | 107.1° |
| C05 | N06 | C07 | 110.0° | 110.1° |
| C05 | N06 | H06 | 125.0° | 124.9° |
| C05 | C09 | C08 | 107.4° | 106.3° |
| C07 | N06 | H06 | 125.0° | 125.0° |
| N06 | C07 | C08 | 108.4° | 109.8° |
| N06 | C07 | H07 | 125.8° | 125.2° |
| C08 | C07 | H07 | 125.8° | 125.1° |
| C07 | C08 | C09 | 107.2° | 106.8° |
| C07 | C08 | N10 | 130.2° | 126.6° |
| C09 | C08 | N10 | 122.6° | 126.6° |
| C08 | N10 | C17 | 121.6° | 120.0° |
| C08 | N10 | H10 | 119.2° | 120.0° |
| C17 | N10 | H10 | 119.2° | 120.0° |
| N10 | C17 | O18 | 124.4° | 120.0° |
| N10 | C17 | C23 | 118.0° | 120.0° |
| C12 | C11 | C16 | 121.9° | 120.1° |
| C12 | C11 | H11 | 119.0° | 120.0° |
| C11 | C12 | C13 | 117.9° | 120.1° |
| C11 | C12 | N30 | 120.9° | 120.0° |
| C16 | C11 | H11 | 119.0° | 119.9° |
| C11 | C16 | C15 | 119.9° | 119.9° |
| C11 | C16 | H16 | 120.1° | 120.1° |
| C13 | C12 | N30 | 121.2° | 119.9° |
| C12 | C13 | C14 | 120.8° | 120.1° |
| C12 | C13 | H13 | 119.6° | 119.9° |
| C12 | N30 | C25 | 116.7° | 106.7° |
| C12 | N30 | C29 | 113.1° | 106.7° |
| C14 | C13 | H13 | 119.6° | 120.0° |
| C13 | C14 | C15 | 120.4° | 119.9° |
| C13 | C14 | H14 | 119.8° | 120.0° |
| C15 | C14 | H14 | 119.8° | 120.0° |
| C14 | C15 | C16 | 119.1° | 119.9° |
| C15 | C16 | H16 | 120.1° | 120.0° |
| O18 | C17 | C23 | 117.6° | 120.0° |
| C17 | C23 | C22 | 120.0° | 120.6° |
| C17 | C23 | C24 | 122.1° | 120.6° |
| C20 | C19 | C24 | 117.7° | 119.3° |
| C20 | C19 | H19 | 121.1° | 120.4° |
| C19 | C20 | N21 | 123.7° | 121.1° |
| C19 | C20 | H20 | 118.1° | 119.4° |
| C24 | C19 | H19 | 121.1° | 120.4° |
| C19 | C24 | C23 | 118.7° | 118.3° |
| C19 | C24 | H24 | 120.6° | 120.8° |
| N21 | C20 | H20 | 118.2° | 119.5° |
| C20 | N21 | C22 | 117.7° | 121.9° |
| N21 | C22 | C23 | 124.3° | 120.6° |
| N21 | C22 | H22 | 117.8° | 119.7° |
| C23 | C22 | H22 | 117.9° | 119.7° |
| C22 | C23 | C24 | 117.8° | 118.8° |
| C23 | C24 | H24 | 120.7° | 120.9° |
| C26 | C25 | N30 | 111.1° | 109.6° |
| C26 | C25 | H251 | 108.6° | 109.4° |
| C26 | C25 | H252 | 108.9° | 109.5° |
| C25 | C26 | N27 | 110.3° | 109.7° |
| C25 | C26 | H261 | 109.0° | 109.4° |
| C25 | C26 | H262 | 109.2° | 109.5° |
| N30 | C25 | H251 | 108.6° | 109.4° |
| N30 | C25 | H252 | 108.9° | 109.5° |
| C25 | N30 | C29 | 110.9° | 106.9° |
| H251 | C25 | H252 | 110.8° | 109.4° |
| N27 | C26 | H261 | 109.0° | 109.5° |
| N27 | C26 | H262 | 109.2° | 109.4° |
| C26 | N27 | C28 | 114.0° | 106.9° |
| C26 | N27 | C31 | 108.4° | 106.7° |
| H261 | C26 | H262 | 110.2° | 109.4° |
| C28 | N27 | C31 | 109.4° | 106.7° |
| N27 | C28 | C29 | 110.3° | 109.6° |
| N27 | C28 | H281 | 109.0° | 109.4° |
| N27 | C28 | H282 | 109.2° | 109.5° |
| N27 | C31 | H311 | 109.4° | 109.5° |
| N27 | C31 | H312 | 109.4° | 109.4° |
| N27 | C31 | H313 | 109.5° | 109.5° |
| C29 | C28 | H281 | 109.0° | 109.4° |
| C29 | C28 | H282 | 109.2° | 109.4° |
| C28 | C29 | N30 | 111.9° | 109.7° |
| C28 | C29 | H291 | 108.1° | 109.5° |
| C28 | C29 | H292 | 108.7° | 109.4° |
| H281 | C28 | H282 | 110.1° | 109.4° |
| N30 | C29 | H291 | 108.1° | 109.5° |
| N30 | C29 | H292 | 108.7° | 109.4° |
| H291 | C29 | H292 | 111.4° | 109.4° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.5° | 109.5° |
| H312 | C31 | H313 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C09 | H01 | 180.0° | 179.8° |
| C01 | C02 | C03 | C15 | 179.0° | 179.7° |
| C01 | C02 | C03 | N04 | 1.2° | 0.3° |
| C01 | C02 | C03 | H03 | 178.8° | 179.7° |
| C02 | C01 | C09 | C05 | 1.0° | 0.5° |
| C02 | C01 | C09 | C08 | 179.8° | 179.8° |
| C01 | C02 | C15 | C14 | 175.4° | 39.7° |
| C01 | C02 | C15 | C16 | 5.4° | 140.3° |
| C09 | C01 | C02 | C03 | 0.1° | 0.5° |
| C09 | C01 | C02 | C15 | 179.0° | 179.8° |
| C01 | C09 | C05 | N04 | 0.8° | 0.2° |
| C01 | C09 | C05 | N06 | 179.2° | 179.8° |
| C01 | C09 | C05 | C08 | 179.4° | 179.8° |
| C01 | C09 | C08 | C07 | 179.1° | 179.7° |
| C01 | C09 | C08 | N10 | 0.8° | 0.2° |
| H01 | C01 | C02 | C03 | 179.9° | 179.7° |
| H01 | C01 | C02 | C15 | 1.0° | 0.1° |
| H01 | C01 | C09 | C05 | 179.0° | 179.7° |
| H01 | C01 | C09 | C08 | 0.2° | 0.1° |
| C02 | C03 | N04 | H03 | 180.0° | 180.0° |
| C02 | C03 | N04 | C05 | 1.5° | 0.0° |
| C03 | C02 | C15 | C14 | 5.7° | 140.0° |
| C03 | C02 | C15 | C16 | 173.5° | 40.0° |
| C15 | C02 | C03 | N04 | 177.8° | 180.0° |
| C15 | C02 | C03 | H03 | 2.2° | 0.0° |
| C02 | C15 | C16 | C11 | 178.2° | 180.0° |
| C02 | C15 | C14 | C13 | 179.6° | 179.8° |
| C02 | C15 | C14 | C16 | 179.2° | 180.0° |
| C02 | C15 | C14 | H14 | 0.4° | 0.0° |
| C02 | C15 | C16 | H16 | 1.8° | 0.1° |
| C03 | N04 | C05 | N06 | 179.6° | 180.0° |
| C03 | N04 | C05 | C09 | 0.4° | 0.0° |
| H03 | C03 | N04 | C05 | 178.5° | 180.0° |
| N04 | C05 | N06 | C09 | 180.0° | 180.0° |
| N04 | C05 | N06 | C07 | 179.8° | 180.0° |
| N04 | C05 | N06 | H06 | 0.2° | 0.0° |
| N04 | C05 | C09 | C08 | 179.8° | 180.0° |
| C05 | N06 | C07 | H06 | 180.0° | 180.0° |
| C05 | N06 | C07 | C08 | 0.1° | 0.0° |
| C05 | N06 | C07 | H07 | 179.9° | 179.9° |
| N06 | C05 | C09 | C08 | 0.2° | 0.0° |
| C09 | C05 | N06 | C07 | 0.2° | 0.0° |
| C09 | C05 | N06 | H06 | 179.8° | 180.0° |
| C05 | C09 | C08 | C07 | 0.1° | 0.1° |
| C05 | C09 | C08 | N10 | 180.0° | 180.0° |
| N06 | C07 | C08 | H07 | 180.0° | 179.9° |
| N06 | C07 | C08 | C09 | 0.0° | 0.0° |
| N06 | C07 | C08 | N10 | 179.9° | 180.0° |
| H06 | N06 | C07 | C08 | 179.9° | 180.0° |
| H06 | N06 | C07 | H07 | 0.1° | 0.1° |
| C07 | C08 | C09 | N10 | 179.9° | 179.9° |
| C07 | C08 | N10 | C17 | 2.3° | 0.0° |
| C07 | C08 | N10 | H10 | 177.7° | 179.9° |
| H07 | C07 | C08 | C09 | 180.0° | 179.9° |
| H07 | C07 | C08 | N10 | 0.1° | 0.1° |
| C09 | C08 | N10 | C17 | 177.5° | 180.0° |
| C09 | C08 | N10 | H10 | 2.5° | 0.0° |
| C08 | N10 | C17 | H10 | 180.0° | 179.9° |
| C08 | N10 | C17 | O18 | 3.5° | 0.0° |
| C08 | N10 | C17 | C23 | 174.9° | 180.0° |
| N10 | C17 | O18 | C23 | 178.5° | 180.0° |
| N10 | C17 | C23 | C22 | 175.2° | 0.3° |
| N10 | C17 | C23 | C24 | 3.2° | 180.0° |
| H10 | N10 | C17 | O18 | 176.4° | 180.0° |
| H10 | N10 | C17 | C23 | 5.1° | 0.0° |
| C12 | C11 | C16 | H11 | 180.0° | 180.0° |
| C11 | C12 | C13 | N30 | 179.6° | 179.7° |
| C11 | C12 | C13 | C14 | 0.8° | 0.5° |
| C11 | C12 | C13 | H13 | 179.2° | 179.9° |
| C12 | C11 | C16 | C15 | 1.4° | 0.0° |
| C12 | C11 | C16 | H16 | 178.5° | 179.9° |
| C11 | C12 | N30 | C25 | 158.1° | 66.0° |
| C11 | C12 | N30 | C29 | 27.7° | 180.0° |
| C16 | C11 | C12 | C13 | 0.5° | 0.3° |
| C16 | C11 | C12 | N30 | 179.9° | 180.0° |
| C11 | C16 | C15 | C14 | 0.9° | 0.0° |
| C11 | C16 | C15 | H16 | 180.0° | 179.9° |
| H11 | C11 | C12 | C13 | 179.4° | 179.7° |
| H11 | C11 | C12 | N30 | 0.1° | 0.0° |
| H11 | C11 | C16 | C15 | 178.6° | 180.0° |
| H11 | C11 | C16 | H16 | 1.5° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 179.5° |
| C12 | C13 | C14 | C15 | 1.3° | 0.5° |
| C12 | C13 | C14 | H14 | 178.7° | 179.8° |
| C13 | C12 | N30 | C25 | 22.3° | 114.3° |
| C13 | C12 | N30 | C29 | 152.7° | 0.3° |
| N30 | C12 | C13 | C14 | 178.7° | 179.7° |
| N30 | C12 | C13 | H13 | 1.3° | 0.2° |
| C12 | N30 | C25 | C26 | 169.5° | 175.1° |
| C12 | N30 | C25 | C29 | 131.5° | 113.9° |
| C12 | N30 | C25 | H251 | 50.1° | 64.9° |
| C12 | N30 | C25 | H252 | 70.6° | 55.0° |
| C12 | N30 | C29 | C28 | 169.7° | 175.1° |
| C12 | N30 | C29 | H291 | 50.8° | 64.8° |
| C12 | N30 | C29 | H292 | 70.2° | 55.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 0.4° | 0.2° |
| H13 | C13 | C14 | C15 | 178.7° | 180.0° |
| H13 | C13 | C14 | H14 | 1.3° | 0.3° |
| C14 | C15 | C16 | H16 | 179.0° | 180.0° |
| H14 | C14 | C15 | C16 | 179.6° | 179.9° |
| O18 | C17 | C23 | C22 | 3.3° | 179.7° |
| O18 | C17 | C23 | C24 | 178.3° | 0.0° |
| C17 | C23 | C24 | C19 | 178.6° | 180.0° |
| C17 | C23 | C22 | N21 | 177.8° | 179.7° |
| C17 | C23 | C22 | C24 | 178.5° | 179.8° |
| C17 | C23 | C22 | H22 | 2.2° | 0.2° |
| C17 | C23 | C24 | H24 | 1.4° | 0.0° |
| C20 | C19 | C24 | H19 | 180.0° | 180.0° |
| C19 | C20 | N21 | H20 | 180.0° | 179.9° |
| C19 | C20 | N21 | C22 | 0.0° | 0.3° |
| C20 | C19 | C24 | C23 | 0.8° | 0.0° |
| C20 | C19 | C24 | H24 | 179.1° | 180.0° |
| C24 | C19 | C20 | N21 | 0.8° | 0.1° |
| C24 | C19 | C20 | H20 | 179.2° | 180.0° |
| C19 | C24 | C23 | C22 | 0.1° | 0.2° |
| C19 | C24 | C23 | H24 | 180.0° | 180.0° |
| H19 | C19 | C20 | N21 | 179.2° | 180.0° |
| H19 | C19 | C20 | H20 | 0.8° | 0.0° |
| H19 | C19 | C24 | C23 | 179.2° | 180.0° |
| H19 | C19 | C24 | H24 | 0.9° | 0.0° |
| C20 | N21 | C22 | C23 | 0.7° | 0.6° |
| C20 | N21 | C22 | H22 | 179.2° | 180.0° |
| H20 | C20 | N21 | C22 | 179.9° | 179.8° |
| N21 | C22 | C23 | H22 | 180.0° | 179.5° |
| N21 | C22 | C23 | C24 | 0.7° | 0.5° |
| C22 | C23 | C24 | H24 | 179.8° | 179.8° |
| H22 | C22 | C23 | C24 | 179.3° | 180.0° |
| C26 | C25 | N30 | H251 | 119.3° | 120.0° |
| C26 | C25 | N30 | H252 | 120.0° | 120.1° |
| C26 | C25 | H251 | H252 | 119.6° | 119.9° |
| C25 | C26 | N27 | H261 | 119.6° | 120.1° |
| C25 | C26 | N27 | H262 | 120.0° | 120.1° |
| C25 | C26 | H261 | H262 | 119.8° | 119.9° |
| C25 | C26 | N27 | C28 | 53.3° | 61.3° |
| C25 | C26 | N27 | C31 | 175.3° | 175.1° |
| C26 | C25 | N30 | C29 | 59.1° | 61.2° |
| N30 | C25 | H251 | H252 | 119.5° | 119.9° |
| N30 | C25 | C26 | N27 | 56.4° | 63.0° |
| N30 | C25 | C26 | H261 | 63.2° | 176.9° |
| N30 | C25 | C26 | H262 | 176.4° | 57.1° |
| C25 | N30 | C29 | C28 | 57.0° | 61.2° |
| C25 | N30 | C29 | H291 | 176.0° | 178.7° |
| C25 | N30 | C29 | H292 | 63.0° | 58.8° |
| H251 | C25 | C26 | N27 | 175.8° | 177.0° |
| H251 | C25 | C26 | H261 | 56.1° | 56.9° |
| H251 | C25 | C26 | H262 | 64.3° | 62.9° |
| H251 | C25 | N30 | C29 | 178.4° | 178.8° |
| H252 | C25 | C26 | N27 | 63.5° | 57.1° |
| H252 | C25 | C26 | H261 | 176.8° | 62.9° |
| H252 | C25 | C26 | H262 | 56.5° | 177.2° |
| H252 | C25 | N30 | C29 | 60.9° | 58.9° |
| N27 | C26 | H261 | H262 | 119.8° | 119.9° |
| C26 | N27 | C28 | C31 | 121.5° | 113.9° |
| C26 | N27 | C28 | C29 | 50.8° | 61.2° |
| C26 | N27 | C28 | H281 | 68.8° | 58.8° |
| C26 | N27 | C28 | H282 | 170.8° | 178.8° |
| C26 | N27 | C31 | H311 | 169.2° | 54.0° |
| C26 | N27 | C31 | H312 | 49.2° | 66.0° |
| C26 | N27 | C31 | H313 | 70.9° | 174.0° |
| H261 | C26 | N27 | C28 | 66.3° | 178.7° |
| H261 | C26 | N27 | C31 | 55.7° | 64.8° |
| H262 | C26 | N27 | C28 | 173.2° | 58.9° |
| H262 | C26 | N27 | C31 | 64.7° | 55.0° |
| N27 | C28 | C29 | H281 | 119.6° | 120.0° |
| N27 | C28 | C29 | H282 | 120.0° | 120.1° |
| N27 | C28 | H281 | H282 | 119.8° | 120.0° |
| N27 | C28 | C29 | N30 | 52.0° | 62.9° |
| N27 | C28 | C29 | H291 | 171.0° | 177.0° |
| N27 | C28 | C29 | H292 | 68.0° | 57.1° |
| C28 | N27 | C31 | H311 | 44.4° | 60.0° |
| C28 | N27 | C31 | H312 | 75.6° | 180.0° |
| C28 | N27 | C31 | H313 | 164.4° | 60.0° |
| C31 | N27 | C28 | C29 | 172.3° | 175.1° |
| C31 | N27 | C28 | H281 | 52.6° | 55.1° |
| C31 | N27 | C28 | H282 | 67.7° | 64.9° |
| N27 | C31 | H311 | H312 | 120.0° | 119.9° |
| N27 | C31 | H311 | H313 | 120.0° | 120.0° |
| N27 | C31 | H312 | H313 | 120.0° | 120.0° |
| C29 | C28 | H281 | H282 | 119.8° | 119.9° |
| C28 | C29 | N30 | H291 | 119.0° | 120.1° |
| C28 | C29 | N30 | H292 | 120.0° | 120.0° |
| C28 | C29 | H291 | H292 | 119.3° | 119.9° |
| H281 | C28 | C29 | N30 | 67.6° | 57.1° |
| H281 | C28 | C29 | H291 | 51.4° | 63.0° |
| H281 | C28 | C29 | H292 | 172.4° | 177.1° |
| H282 | C28 | C29 | N30 | 172.0° | 177.0° |
| H282 | C28 | C29 | H291 | 69.0° | 56.9° |
| H282 | C28 | C29 | H292 | 52.0° | 63.0° |
| N30 | C29 | H291 | H292 | 119.3° | 119.9° |
| H311 | C31 | H312 | H313 | 120.0° | 120.0° |
