SVE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.58Å | |
| C1 | C3 | sing | 1.50Å | 1.50Å | |
| C2 | C13 | sing | 1.50Å | 1.54Å | |
| C3 | C4 | doub | 1.38Å | 1.31Å | Aromatic |
| C3 | C7 | sing | 1.40Å | 1.45Å | Aromatic |
| C4 | N5 | sing | 1.35Å | 1.41Å | Aromatic |
| C4 | C12 | sing | 1.47Å | 1.45Å | Aromatic |
| N5 | N6 | sing | 1.29Å | 1.35Å | Aromatic |
| N5 | C11 | sing | 1.47Å | 1.44Å | |
| N6 | C7 | doub | 1.32Å | 1.28Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.43Å | |
| C8 | N9 | sing | 1.35Å | 1.33Å | |
| C8 | O10 | doub | 1.22Å | 1.24Å | |
| N9 | C40 | sing | 1.40Å | 1.40Å | |
| C12 | C13 | doub | 1.40Å | 1.35Å | Aromatic |
| C12 | N17 | sing | 1.32Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.47Å | Aromatic |
| C14 | N15 | doub | 1.33Å | 1.29Å | Aromatic |
| N15 | C16 | sing | 1.33Å | 1.43Å | Aromatic |
| C16 | N17 | doub | 1.33Å | 1.27Å | Aromatic |
| C16 | N18 | sing | 1.39Å | 1.41Å | |
| N18 | C19 | sing | 1.39Å | 1.43Å | |
| C19 | C20 | sing | 1.40Å | 1.34Å | Aromatic |
| C19 | C24 | doub | 1.39Å | 1.50Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.50Å | Aromatic |
| C20 | O25 | sing | 1.36Å | 1.42Å | |
| C21 | C22 | sing | 1.40Å | 1.34Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.48Å | Aromatic |
| C22 | C26 | sing | 1.48Å | 1.45Å | |
| C23 | C24 | sing | 1.38Å | 1.36Å | Aromatic |
| O25 | C36 | sing | 1.43Å | 1.42Å | |
| C26 | N27 | sing | 1.35Å | 1.34Å | |
| C26 | O28 | doub | 1.22Å | 1.25Å | |
| N27 | C29 | sing | 1.46Å | 1.46Å | |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C29 | C34 | sing | 1.53Å | 1.58Å | |
| C30 | C31 | sing | 1.53Å | 1.56Å | |
| C31 | N32 | sing | 1.47Å | 1.50Å | |
| N32 | C33 | sing | 1.47Å | 1.50Å | |
| N32 | C35 | sing | 1.47Å | 1.48Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C36 | F37 | sing | 1.40Å | 1.39Å | |
| C36 | F38 | sing | 1.40Å | 1.38Å | |
| C36 | F39 | sing | 1.40Å | 1.39Å | |
| C40 | C41 | sing | 1.39Å | 1.36Å | Aromatic |
| C40 | C45 | doub | 1.39Å | 1.52Å | Aromatic |
| C41 | C42 | doub | 1.38Å | 1.49Å | Aromatic |
| C41 | C48 | sing | 1.51Å | 1.54Å | |
| C42 | C43 | sing | 1.38Å | 1.35Å | Aromatic |
| C43 | C44 | doub | 1.38Å | 1.48Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 1.36Å | Aromatic |
| C45 | C46 | sing | 1.51Å | 1.55Å | |
| C46 | C47 | sing | 1.53Å | 1.54Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| N9 | H9 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| N18 | H18 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| N27 | H27 | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H473 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C49 | H493 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 112.7° | 109.8° |
| C1 | C2 | C13 | 116.7° | 112.8° |
| C2 | C1 | H10 | 108.4° | 109.5° |
| C2 | C1 | H11 | 107.7° | 109.4° |
| C1 | C2 | H20 | 107.1° | 108.8° |
| C1 | C2 | H21 | 105.5° | 108.8° |
| C1 | C3 | C4 | 124.5° | 122.5° |
| C1 | C3 | C7 | 129.5° | 131.8° |
| C3 | C1 | H10 | 108.4° | 109.5° |
| C3 | C1 | H11 | 107.6° | 109.4° |
| C2 | C13 | C12 | 121.8° | 121.4° |
| C2 | C13 | C14 | 120.9° | 120.7° |
| C13 | C2 | H20 | 107.1° | 108.8° |
| C13 | C2 | H21 | 105.5° | 108.9° |
| C4 | C3 | C7 | 105.9° | 105.7° |
| C3 | C4 | N5 | 106.9° | 107.0° |
| C3 | C4 | C12 | 124.2° | 120.3° |
| C3 | C7 | N6 | 110.1° | 107.1° |
| C3 | C7 | C8 | 128.1° | 126.4° |
| N5 | C4 | C12 | 128.8° | 132.7° |
| C4 | N5 | N6 | 109.2° | 109.7° |
| C4 | N5 | C11 | 127.2° | 125.2° |
| C4 | C12 | C13 | 119.5° | 117.3° |
| C4 | C12 | N17 | 120.3° | 122.8° |
| N6 | N5 | C11 | 123.5° | 125.2° |
| N5 | N6 | C7 | 107.8° | 110.6° |
| N5 | C11 | H111 | 109.5° | 109.5° |
| N5 | C11 | H112 | 109.4° | 109.4° |
| N5 | C11 | H113 | 109.4° | 109.4° |
| N6 | C7 | C8 | 121.7° | 126.5° |
| C7 | C8 | N9 | 116.0° | 120.0° |
| C7 | C8 | O10 | 122.3° | 120.0° |
| N9 | C8 | O10 | 121.7° | 120.0° |
| C8 | N9 | C40 | 124.9° | 120.0° |
| C8 | N9 | H9 | 117.6° | 120.0° |
| N9 | C40 | C41 | 117.6° | 120.0° |
| N9 | C40 | C45 | 122.0° | 120.1° |
| C40 | N9 | H9 | 117.5° | 120.0° |
| C13 | C12 | N17 | 120.2° | 119.9° |
| C12 | C13 | C14 | 117.3° | 117.9° |
| C12 | N17 | C16 | 122.0° | 120.1° |
| C13 | C14 | N15 | 119.6° | 119.1° |
| C13 | C14 | H14 | 120.2° | 120.5° |
| C14 | N15 | C16 | 121.3° | 121.4° |
| N15 | C14 | H14 | 120.2° | 120.4° |
| N15 | C16 | N17 | 119.6° | 121.5° |
| N15 | C16 | N18 | 122.4° | 119.2° |
| N17 | C16 | N18 | 118.0° | 119.2° |
| C16 | N18 | C19 | 129.8° | 120.0° |
| C16 | N18 | H18 | 115.1° | 120.0° |
| N18 | C19 | C20 | 115.7° | 120.0° |
| N18 | C19 | C24 | 124.6° | 119.9° |
| C19 | N18 | H18 | 115.1° | 120.0° |
| C20 | C19 | C24 | 119.7° | 120.1° |
| C19 | C20 | C21 | 120.2° | 120.0° |
| C19 | C20 | O25 | 115.5° | 120.0° |
| C19 | C24 | C23 | 120.1° | 120.1° |
| C19 | C24 | H24 | 119.9° | 120.0° |
| C21 | C20 | O25 | 124.3° | 120.0° |
| C20 | C21 | C22 | 120.3° | 119.8° |
| C20 | C21 | H22 | 119.8° | 120.1° |
| C20 | O25 | C36 | 118.8° | 117.0° |
| C21 | C22 | C23 | 120.1° | 119.9° |
| C21 | C22 | C26 | 119.0° | 120.0° |
| C22 | C21 | H22 | 119.9° | 120.1° |
| C23 | C22 | C26 | 120.8° | 120.1° |
| C22 | C23 | C24 | 119.6° | 120.1° |
| C22 | C23 | H23 | 120.2° | 120.0° |
| C22 | C26 | N27 | 121.6° | 120.0° |
| C22 | C26 | O28 | 117.3° | 120.0° |
| C23 | C24 | H24 | 120.0° | 120.0° |
| C24 | C23 | H23 | 120.2° | 119.9° |
| O25 | C36 | F37 | 108.5° | 109.5° |
| O25 | C36 | F38 | 110.4° | 109.5° |
| O25 | C36 | F39 | 110.9° | 109.5° |
| N27 | C26 | O28 | 121.1° | 120.0° |
| C26 | N27 | C29 | 121.1° | 120.0° |
| C26 | N27 | H27 | 119.5° | 120.0° |
| N27 | C29 | C30 | 109.5° | 109.5° |
| N27 | C29 | C34 | 110.4° | 109.5° |
| C29 | N27 | H27 | 119.4° | 120.0° |
| N27 | C29 | H29 | 109.3° | 109.5° |
| C30 | C29 | C34 | 110.8° | 109.2° |
| C29 | C30 | C31 | 110.2° | 109.3° |
| C30 | C29 | H29 | 108.8° | 109.5° |
| C29 | C30 | H301 | 109.2° | 109.5° |
| C29 | C30 | H302 | 109.1° | 109.5° |
| C29 | C34 | C33 | 110.0° | 109.2° |
| C34 | C29 | H29 | 107.9° | 109.6° |
| C29 | C34 | H341 | 109.3° | 109.5° |
| C29 | C34 | H342 | 109.1° | 109.5° |
| C30 | C31 | N32 | 109.9° | 109.6° |
| C31 | C30 | H301 | 109.2° | 109.5° |
| C31 | C30 | H302 | 109.0° | 109.6° |
| C30 | C31 | H311 | 109.3° | 109.5° |
| C30 | C31 | H312 | 109.2° | 109.5° |
| C31 | N32 | C33 | 111.6° | 111.1° |
| C31 | N32 | C35 | 109.6° | 111.0° |
| N32 | C31 | H311 | 109.3° | 109.5° |
| N32 | C31 | H312 | 109.3° | 109.4° |
| C33 | N32 | C35 | 109.4° | 111.0° |
| N32 | C33 | C34 | 109.3° | 109.5° |
| N32 | C33 | H331 | 109.5° | 109.4° |
| N32 | C33 | H332 | 109.6° | 109.5° |
| N32 | C35 | H351 | 109.5° | 109.4° |
| N32 | C35 | H352 | 109.4° | 109.5° |
| N32 | C35 | H353 | 109.5° | 109.5° |
| C33 | C34 | H341 | 109.3° | 109.5° |
| C33 | C34 | H342 | 109.2° | 109.5° |
| C34 | C33 | H331 | 109.6° | 109.4° |
| C34 | C33 | H332 | 109.6° | 109.5° |
| F37 | C36 | F38 | 109.5° | 109.5° |
| F37 | C36 | F39 | 109.7° | 109.4° |
| F38 | C36 | F39 | 107.8° | 109.4° |
| C41 | C40 | C45 | 120.4° | 119.8° |
| C40 | C41 | C42 | 119.3° | 119.9° |
| C40 | C41 | C48 | 118.9° | 120.0° |
| C40 | C45 | C44 | 118.6° | 120.0° |
| C40 | C45 | C46 | 120.0° | 120.0° |
| C42 | C41 | C48 | 121.8° | 120.1° |
| C41 | C42 | C43 | 120.6° | 120.1° |
| C41 | C42 | H42 | 119.7° | 120.0° |
| C41 | C48 | C49 | 114.3° | 109.5° |
| C41 | C48 | H481 | 107.9° | 109.4° |
| C41 | C48 | H482 | 106.8° | 109.5° |
| C42 | C43 | C44 | 120.5° | 120.2° |
| C43 | C42 | H42 | 119.7° | 120.0° |
| C42 | C43 | H43 | 119.7° | 119.9° |
| C43 | C44 | C45 | 120.6° | 120.0° |
| C44 | C43 | H43 | 119.7° | 119.9° |
| C43 | C44 | H44 | 119.7° | 120.0° |
| C44 | C45 | C46 | 121.4° | 120.0° |
| C45 | C44 | H44 | 119.7° | 120.0° |
| C45 | C46 | C47 | 115.2° | 109.5° |
| C45 | C46 | H461 | 107.6° | 109.5° |
| C45 | C46 | H462 | 106.3° | 109.5° |
| C47 | C46 | H461 | 107.6° | 109.5° |
| C47 | C46 | H462 | 106.3° | 109.4° |
| C46 | C47 | H471 | 109.5° | 109.5° |
| C46 | C47 | H472 | 109.4° | 109.5° |
| C46 | C47 | H473 | 109.4° | 109.4° |
| C49 | C48 | H481 | 107.9° | 109.4° |
| C49 | C48 | H482 | 106.8° | 109.5° |
| C48 | C49 | H491 | 109.5° | 109.4° |
| C48 | C49 | H492 | 109.5° | 109.5° |
| C48 | C49 | H493 | 109.4° | 109.5° |
| H10 | C1 | H11 | 112.1° | 109.3° |
| H20 | C2 | H21 | 115.3° | 108.7° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H301 | C30 | H302 | 110.1° | 109.5° |
| H341 | C34 | H342 | 109.9° | 109.5° |
| H311 | C31 | H312 | 109.8° | 109.4° |
| H331 | C33 | H332 | 109.3° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.5° | 109.4° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| H481 | C48 | H482 | 113.3° | 109.5° |
| H461 | C46 | H462 | 114.0° | 109.5° |
| H471 | C47 | H472 | 109.5° | 109.5° |
| H471 | C47 | H473 | 109.5° | 109.5° |
| H472 | C47 | H473 | 109.5° | 109.5° |
| H491 | C49 | H492 | 109.5° | 109.5° |
| H491 | C49 | H493 | 109.5° | 109.5° |
| H492 | C49 | H493 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H10 | 120.0° | 120.2° |
| C2 | C1 | C3 | H11 | 118.6° | 120.0° |
| C1 | C2 | C13 | H20 | 120.0° | 120.8° |
| C1 | C2 | C13 | H21 | 116.7° | 120.9° |
| C2 | C1 | C3 | C4 | 2.8° | 31.8° |
| C2 | C1 | C3 | C7 | 175.9° | 148.4° |
| C1 | C2 | C13 | C12 | 8.1° | 33.1° |
| C1 | C2 | C13 | C14 | 173.4° | 147.4° |
| C2 | C1 | H10 | H11 | 118.7° | 119.8° |
| C1 | C2 | H20 | H21 | 117.0° | 118.3° |
| C3 | C1 | C2 | C13 | 7.5° | 44.8° |
| C1 | C3 | C4 | C7 | 178.9° | 179.8° |
| C1 | C3 | C4 | N5 | 178.8° | 178.8° |
| C1 | C3 | C4 | C12 | 2.5° | 2.1° |
| C1 | C3 | C7 | N6 | 178.7° | 179.1° |
| C1 | C3 | C7 | C8 | 1.8° | 0.9° |
| C3 | C1 | H10 | H11 | 118.6° | 119.8° |
| C3 | C1 | C2 | H20 | 112.5° | 165.7° |
| C3 | C1 | C2 | H21 | 124.2° | 76.1° |
| C2 | C13 | C12 | C4 | 3.1° | 2.7° |
| C2 | C13 | C12 | C14 | 178.6° | 179.6° |
| C2 | C13 | C12 | N17 | 178.2° | 177.7° |
| C2 | C13 | C14 | N15 | 178.2° | 178.5° |
| C13 | C2 | C1 | H10 | 112.5° | 165.0° |
| C13 | C2 | C1 | H11 | 126.1° | 75.2° |
| C13 | C2 | H20 | H21 | 117.0° | 118.4° |
| C2 | C13 | C14 | H14 | 1.8° | 1.6° |
| C3 | C4 | N5 | C12 | 178.7° | 178.9° |
| C3 | C4 | N5 | N6 | 0.1° | 1.0° |
| C3 | C4 | N5 | C11 | 179.9° | 179.1° |
| C4 | C3 | C7 | N6 | 0.1° | 0.7° |
| C4 | C3 | C7 | C8 | 179.4° | 179.3° |
| C3 | C4 | C12 | C13 | 2.5° | 14.0° |
| C3 | C4 | C12 | N17 | 176.2° | 165.6° |
| C4 | C3 | C1 | H10 | 117.2° | 152.0° |
| C4 | C3 | C1 | H11 | 121.3° | 88.2° |
| C7 | C3 | C4 | N5 | 0.1° | 1.0° |
| C7 | C3 | C4 | C12 | 178.6° | 178.0° |
| C3 | C7 | N6 | N5 | 0.0° | 0.1° |
| C3 | C7 | N6 | C8 | 179.5° | 180.0° |
| C3 | C7 | C8 | N9 | 164.7° | 180.0° |
| C3 | C7 | C8 | O10 | 16.0° | 0.1° |
| C7 | C3 | C1 | H10 | 64.1° | 28.2° |
| C7 | C3 | C1 | H11 | 57.3° | 91.6° |
| C4 | N5 | N6 | C11 | 179.8° | 180.0° |
| C4 | N5 | N6 | C7 | 0.1° | 0.6° |
| N5 | C4 | C12 | C13 | 179.0° | 164.7° |
| N5 | C4 | C12 | N17 | 2.3° | 15.6° |
| C4 | N5 | C11 | H111 | 100.2° | 90.0° |
| C4 | N5 | C11 | H112 | 19.7° | 150.0° |
| C4 | N5 | C11 | H113 | 139.7° | 30.0° |
| C12 | C4 | N5 | N6 | 178.5° | 177.9° |
| C12 | C4 | N5 | C11 | 1.2° | 2.1° |
| C4 | C12 | C13 | N17 | 178.7° | 179.6° |
| C4 | C12 | C13 | C14 | 178.3° | 177.8° |
| C4 | C12 | N17 | C16 | 178.6° | 178.3° |
| N5 | N6 | C7 | C8 | 179.5° | 179.9° |
| N6 | N5 | C11 | H111 | 80.0° | 90.0° |
| N6 | N5 | C11 | H112 | 160.0° | 30.0° |
| N6 | N5 | C11 | H113 | 40.0° | 150.0° |
| C11 | N5 | N6 | C7 | 179.8° | 179.5° |
| N5 | C11 | H111 | H112 | 120.0° | 120.0° |
| N5 | C11 | H111 | H113 | 120.0° | 120.0° |
| N5 | C11 | H112 | H113 | 120.0° | 120.0° |
| N6 | C7 | C8 | N9 | 14.7° | 0.0° |
| N6 | C7 | C8 | O10 | 164.6° | 180.0° |
| C7 | C8 | N9 | O10 | 179.3° | 179.9° |
| C7 | C8 | N9 | C40 | 175.1° | 177.9° |
| C7 | C8 | N9 | H9 | 4.8° | 2.2° |
| C8 | N9 | C40 | H9 | 180.0° | 179.9° |
| C8 | N9 | C40 | C41 | 92.0° | 52.3° |
| C8 | N9 | C40 | C45 | 87.9° | 127.5° |
| O10 | C8 | N9 | C40 | 5.5° | 2.2° |
| O10 | C8 | N9 | H9 | 174.5° | 177.7° |
| N9 | C40 | C41 | C45 | 179.9° | 179.8° |
| N9 | C40 | C41 | C42 | 179.9° | 180.0° |
| N9 | C40 | C41 | C48 | 0.4° | 0.0° |
| N9 | C40 | C45 | C44 | 179.9° | 179.7° |
| N9 | C40 | C45 | C46 | 0.3° | 0.0° |
| C12 | C13 | C14 | N15 | 0.4° | 1.1° |
| C13 | C12 | N17 | C16 | 0.1° | 1.3° |
| C12 | C13 | C2 | H20 | 111.9° | 153.9° |
| C12 | C13 | C2 | H21 | 124.8° | 87.8° |
| C12 | C13 | C14 | H14 | 179.6° | 178.8° |
| N17 | C12 | C13 | C14 | 0.4° | 1.9° |
| C12 | N17 | C16 | N15 | 0.2° | 0.1° |
| C12 | N17 | C16 | N18 | 179.8° | 179.9° |
| C13 | C14 | N15 | H14 | 180.0° | 179.9° |
| C13 | C14 | N15 | C16 | 0.1° | 0.2° |
| C14 | C13 | C2 | H20 | 66.6° | 26.5° |
| C14 | C13 | C2 | H21 | 56.7° | 91.8° |
| C14 | N15 | C16 | N17 | 0.2° | 0.9° |
| C14 | N15 | C16 | N18 | 179.8° | 179.1° |
| N15 | C16 | N17 | N18 | 179.6° | 180.0° |
| N15 | C16 | N18 | C19 | 179.8° | 6.1° |
| C16 | N15 | C14 | H14 | 179.9° | 179.8° |
| N15 | C16 | N18 | H18 | 0.2° | 173.8° |
| N17 | C16 | N18 | C19 | 0.2° | 173.9° |
| N17 | C16 | N18 | H18 | 179.8° | 6.2° |
| C16 | N18 | C19 | H18 | 180.0° | 179.9° |
| C16 | N18 | C19 | C20 | 127.7° | 154.6° |
| C16 | N18 | C19 | C24 | 52.9° | 25.2° |
| N18 | C19 | C20 | C24 | 179.4° | 179.7° |
| N18 | C19 | C20 | C21 | 178.6° | 179.9° |
| N18 | C19 | C20 | O25 | 1.3° | 0.0° |
| N18 | C19 | C24 | C23 | 178.7° | 179.7° |
| N18 | C19 | C24 | H24 | 1.3° | 0.0° |
| C19 | C20 | C21 | O25 | 179.9° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.1° |
| C20 | C19 | C24 | C23 | 0.7° | 0.6° |
| C19 | C20 | O25 | C36 | 129.3° | 180.0° |
| C20 | C19 | N18 | H18 | 52.3° | 25.3° |
| C20 | C19 | C24 | H24 | 179.3° | 179.7° |
| C19 | C20 | C21 | H22 | 179.9° | 180.0° |
| C24 | C19 | C20 | C21 | 0.8° | 0.3° |
| C24 | C19 | C20 | O25 | 179.3° | 179.8° |
| C19 | C24 | C23 | C22 | 0.2° | 0.5° |
| C19 | C24 | C23 | H24 | 180.0° | 179.7° |
| C24 | C19 | N18 | H18 | 127.1° | 154.9° |
| C19 | C24 | C23 | H23 | 179.8° | 179.7° |
| C20 | C21 | C22 | H22 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.7° | 0.0° |
| C20 | C21 | C22 | C26 | 178.0° | 179.9° |
| C21 | C20 | O25 | C36 | 50.5° | 0.1° |
| O25 | C20 | C21 | C22 | 180.0° | 180.0° |
| C20 | O25 | C36 | F37 | 86.5° | 60.0° |
| C20 | O25 | C36 | F38 | 33.5° | 179.9° |
| C20 | O25 | C36 | F39 | 152.9° | 60.0° |
| O25 | C20 | C21 | H22 | 0.1° | 0.1° |
| C21 | C22 | C23 | C26 | 178.7° | 180.0° |
| C21 | C22 | C23 | C24 | 0.9° | 0.3° |
| C21 | C22 | C26 | N27 | 123.4° | 180.0° |
| C21 | C22 | C26 | O28 | 58.0° | 0.0° |
| C21 | C22 | C23 | H23 | 179.1° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C23 | C22 | C26 | N27 | 57.9° | 0.0° |
| C23 | C22 | C26 | O28 | 120.6° | 180.0° |
| C22 | C23 | C24 | H24 | 179.8° | 179.8° |
| C23 | C22 | C21 | H22 | 179.2° | 179.9° |
| C26 | C22 | C23 | C24 | 177.8° | 179.7° |
| C22 | C26 | N27 | O28 | 178.5° | 179.9° |
| C22 | C26 | N27 | C29 | 175.5° | 179.9° |
| C26 | C22 | C21 | H22 | 2.1° | 0.0° |
| C26 | C22 | C23 | H23 | 2.2° | 0.1° |
| C22 | C26 | N27 | H27 | 4.5° | 0.0° |
| O25 | C36 | F37 | F38 | 120.5° | 120.1° |
| O25 | C36 | F37 | F39 | 121.3° | 120.0° |
| O25 | C36 | F38 | F39 | 121.3° | 120.0° |
| C26 | N27 | C29 | H27 | 180.0° | 180.0° |
| C26 | N27 | C29 | C30 | 168.5° | 155.0° |
| C26 | N27 | C29 | C34 | 69.2° | 85.3° |
| C26 | N27 | C29 | H29 | 49.3° | 34.8° |
| O28 | C26 | N27 | C29 | 2.9° | 0.0° |
| O28 | C26 | N27 | H27 | 177.0° | 180.0° |
| N27 | C29 | C30 | C34 | 122.0° | 119.9° |
| N27 | C29 | C30 | H29 | 119.4° | 120.1° |
| N27 | C29 | C34 | H29 | 119.4° | 120.1° |
| N27 | C29 | C30 | C31 | 175.2° | 177.5° |
| N27 | C29 | C34 | C33 | 175.9° | 177.6° |
| N27 | C29 | C30 | H301 | 55.2° | 57.6° |
| N27 | C29 | C30 | H302 | 65.1° | 62.5° |
| N27 | C29 | C34 | H341 | 64.1° | 62.5° |
| N27 | C29 | C34 | H342 | 56.1° | 57.6° |
| C30 | C29 | C34 | H29 | 119.1° | 119.9° |
| C29 | C30 | C31 | H301 | 120.0° | 119.9° |
| C29 | C30 | C31 | H302 | 119.7° | 120.0° |
| C29 | C30 | C31 | N32 | 56.3° | 59.1° |
| C30 | C29 | C34 | C33 | 54.4° | 57.6° |
| C30 | C29 | N27 | H27 | 11.5° | 25.0° |
| C29 | C30 | H301 | H302 | 119.7° | 120.1° |
| C30 | C29 | C34 | H341 | 174.4° | 177.6° |
| C30 | C29 | C34 | H342 | 65.4° | 62.3° |
| C29 | C30 | C31 | H311 | 176.3° | 179.2° |
| C29 | C30 | C31 | H312 | 63.5° | 60.9° |
| C34 | C29 | C30 | C31 | 53.2° | 57.6° |
| C29 | C34 | C33 | N32 | 58.0° | 59.2° |
| C29 | C34 | C33 | H341 | 120.0° | 119.9° |
| C29 | C34 | C33 | H342 | 119.7° | 119.9° |
| C34 | C29 | N27 | H27 | 110.8° | 94.7° |
| C34 | C29 | C30 | H301 | 66.8° | 62.3° |
| C34 | C29 | C30 | H302 | 172.9° | 177.6° |
| C29 | C34 | H341 | H342 | 119.8° | 120.1° |
| C29 | C34 | C33 | H331 | 178.0° | 179.2° |
| C29 | C34 | C33 | H332 | 62.0° | 60.9° |
| C30 | C31 | N32 | H311 | 120.0° | 120.1° |
| C30 | C31 | N32 | H312 | 119.8° | 120.0° |
| C30 | C31 | N32 | C33 | 61.9° | 61.7° |
| C30 | C31 | N32 | C35 | 176.8° | 174.2° |
| C31 | C30 | C29 | H29 | 65.3° | 62.4° |
| C31 | C30 | H301 | H302 | 119.7° | 120.1° |
| C30 | C31 | H311 | H312 | 119.8° | 119.9° |
| C31 | N32 | C33 | C35 | 121.4° | 124.1° |
| C31 | N32 | C33 | C34 | 62.8° | 61.8° |
| N32 | C31 | C30 | H301 | 63.7° | 60.8° |
| N32 | C31 | C30 | H302 | 176.0° | 179.1° |
| N32 | C31 | H311 | H312 | 119.8° | 119.9° |
| C31 | N32 | C33 | H331 | 177.1° | 178.3° |
| C31 | N32 | C33 | H332 | 57.2° | 58.3° |
| C31 | N32 | C35 | H351 | 24.2° | 60.0° |
| C31 | N32 | C35 | H352 | 95.8° | 180.0° |
| C31 | N32 | C35 | H353 | 144.3° | 60.0° |
| N32 | C33 | C34 | H331 | 120.0° | 119.9° |
| N32 | C33 | C34 | H332 | 120.1° | 120.1° |
| N32 | C33 | C34 | H341 | 178.0° | 179.1° |
| N32 | C33 | C34 | H342 | 61.7° | 60.7° |
| C33 | N32 | C31 | H311 | 178.1° | 178.2° |
| C33 | N32 | C31 | H312 | 58.0° | 58.3° |
| N32 | C33 | H331 | H332 | 120.1° | 120.0° |
| C33 | N32 | C35 | H351 | 146.8° | 64.2° |
| C33 | N32 | C35 | H352 | 26.8° | 55.8° |
| C33 | N32 | C35 | H353 | 93.2° | 175.9° |
| C35 | N32 | C33 | C34 | 175.7° | 174.1° |
| C35 | N32 | C31 | H311 | 56.8° | 54.1° |
| C35 | N32 | C31 | H312 | 63.3° | 65.8° |
| C35 | N32 | C33 | H331 | 55.7° | 54.2° |
| C35 | N32 | C33 | H332 | 64.2° | 65.8° |
| N32 | C35 | H351 | H352 | 120.0° | 120.0° |
| N32 | C35 | H351 | H353 | 120.0° | 119.9° |
| N32 | C35 | H352 | H353 | 120.0° | 120.0° |
| C33 | C34 | C29 | H29 | 64.7° | 62.3° |
| C33 | C34 | H341 | H342 | 119.8° | 120.2° |
| C34 | C33 | H331 | H332 | 120.1° | 120.0° |
| F37 | C36 | F38 | F39 | 119.4° | 120.0° |
| C40 | C41 | C42 | C48 | 179.7° | 180.0° |
| C40 | C41 | C42 | C43 | 0.1° | 0.1° |
| C41 | C40 | C45 | C44 | 0.0° | 0.5° |
| C41 | C40 | C45 | C46 | 179.8° | 179.7° |
| C40 | C41 | C48 | C49 | 180.0° | 148.8° |
| C41 | C40 | N9 | H9 | 88.0° | 127.8° |
| C40 | C41 | C42 | H42 | 179.9° | 180.0° |
| C40 | C41 | C48 | H481 | 60.1° | 91.3° |
| C40 | C41 | C48 | H482 | 62.1° | 28.8° |
| C45 | C40 | C41 | C42 | 0.0° | 0.2° |
| C45 | C40 | C41 | C48 | 179.8° | 179.7° |
| C40 | C45 | C44 | C43 | 0.1° | 0.5° |
| C40 | C45 | C44 | C46 | 179.8° | 179.8° |
| C40 | C45 | C46 | C47 | 179.9° | 84.1° |
| C45 | C40 | N9 | H9 | 92.1° | 52.5° |
| C40 | C45 | C44 | H44 | 179.9° | 179.7° |
| C40 | C45 | C46 | H461 | 60.1° | 155.9° |
| C40 | C45 | C46 | H462 | 62.5° | 35.9° |
| C41 | C42 | C43 | H42 | 180.0° | 179.9° |
| C41 | C42 | C43 | C44 | 0.2° | 0.1° |
| C42 | C41 | C48 | C49 | 0.2° | 31.2° |
| C42 | C41 | C48 | H481 | 120.2° | 88.7° |
| C42 | C41 | C48 | H482 | 117.6° | 151.2° |
| C41 | C42 | C43 | H43 | 179.8° | 179.9° |
| C48 | C41 | C42 | C43 | 179.9° | 180.0° |
| C41 | C48 | C49 | H481 | 120.0° | 119.9° |
| C41 | C48 | C49 | H482 | 117.9° | 120.0° |
| C48 | C41 | C42 | H42 | 0.2° | 0.0° |
| C41 | C48 | H481 | H482 | 118.0° | 120.1° |
| C41 | C48 | C49 | H491 | 109.3° | 56.9° |
| C41 | C48 | C49 | H492 | 130.7° | 63.2° |
| C41 | C48 | C49 | H493 | 10.7° | 176.8° |
| C42 | C43 | C44 | H43 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.2° | 0.2° |
| C42 | C43 | C44 | H44 | 179.8° | 180.0° |
| C43 | C44 | C45 | H44 | 180.0° | 179.8° |
| C43 | C44 | C45 | C46 | 179.9° | 179.7° |
| C44 | C43 | C42 | H42 | 179.8° | 180.0° |
| C44 | C45 | C46 | C47 | 0.3° | 95.6° |
| C45 | C44 | C43 | H43 | 179.8° | 179.8° |
| C44 | C45 | C46 | H461 | 119.7° | 24.4° |
| C44 | C45 | C46 | H462 | 117.7° | 144.4° |
| C45 | C46 | C47 | H461 | 120.0° | 120.0° |
| C45 | C46 | C47 | H462 | 117.4° | 120.0° |
| C46 | C45 | C44 | H44 | 0.1° | 0.1° |
| C45 | C46 | H461 | H462 | 117.6° | 120.0° |
| C45 | C46 | C47 | H471 | 155.5° | 175.0° |
| C45 | C46 | C47 | H472 | 84.5° | 55.0° |
| C45 | C46 | C47 | H473 | 35.6° | 65.0° |
| C47 | C46 | H461 | H462 | 117.7° | 119.9° |
| C46 | C47 | H471 | H472 | 120.0° | 120.0° |
| C46 | C47 | H471 | H473 | 120.0° | 119.9° |
| C46 | C47 | H472 | H473 | 120.0° | 120.0° |
| C49 | C48 | H481 | H482 | 118.0° | 120.0° |
| C48 | C49 | H491 | H492 | 120.0° | 120.0° |
| C48 | C49 | H491 | H493 | 120.0° | 120.0° |
| C48 | C49 | H492 | H493 | 120.0° | 120.0° |
| H10 | C1 | C2 | H20 | 127.5° | 74.1° |
| H10 | C1 | C2 | H21 | 4.2° | 44.1° |
| H11 | C1 | C2 | H20 | 6.0° | 45.6° |
| H11 | C1 | C2 | H21 | 117.3° | 163.8° |
| H111 | C11 | H112 | H113 | 120.0° | 120.1° |
| H24 | C24 | C23 | H23 | 0.2° | 0.0° |
| H27 | N27 | C29 | H29 | 130.6° | 145.1° |
| H29 | C29 | C30 | H301 | 174.7° | 177.7° |
| H29 | C29 | C30 | H302 | 54.3° | 57.6° |
| H29 | C29 | C34 | H341 | 55.3° | 57.6° |
| H29 | C29 | C34 | H342 | 175.5° | 177.7° |
| H301 | C30 | C31 | H311 | 56.3° | 59.3° |
| H301 | C30 | C31 | H312 | 176.5° | 179.2° |
| H302 | C30 | C31 | H311 | 64.0° | 60.8° |
| H302 | C30 | C31 | H312 | 56.1° | 59.1° |
| H341 | C34 | C33 | H331 | 62.0° | 60.9° |
| H341 | C34 | C33 | H332 | 57.9° | 59.0° |
| H342 | C34 | C33 | H331 | 58.3° | 59.2° |
| H342 | C34 | C33 | H332 | 178.2° | 179.2° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
| H42 | C42 | C43 | H43 | 0.2° | 0.0° |
| H481 | C48 | C49 | H491 | 10.7° | 176.8° |
| H481 | C48 | C49 | H492 | 109.3° | 56.8° |
| H481 | C48 | C49 | H493 | 130.7° | 63.2° |
| H482 | C48 | C49 | H491 | 132.8° | 63.2° |
| H482 | C48 | C49 | H492 | 12.8° | 176.8° |
| H482 | C48 | C49 | H493 | 107.2° | 56.8° |
| H43 | C43 | C44 | H44 | 0.2° | 0.0° |
| H461 | C46 | C47 | H471 | 35.5° | 64.9° |
| H461 | C46 | C47 | H472 | 155.6° | 175.0° |
| H461 | C46 | C47 | H473 | 84.4° | 55.0° |
| H462 | C46 | C47 | H471 | 87.0° | 55.0° |
| H462 | C46 | C47 | H472 | 33.0° | 65.0° |
| H462 | C46 | C47 | H473 | 153.0° | 175.0° |
| H471 | C47 | H472 | H473 | 120.0° | 120.0° |
| H491 | C49 | H492 | H493 | 120.0° | 120.0° |
