5TG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | N1 | sing | 1.47Å | 1.45Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C12 | sing | 1.39Å | 1.36Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| N1 | C12 | sing | 1.40Å | 1.46Å | |
| N1 | C10 | sing | 1.47Å | 1.45Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C18 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C7 | C11 | sing | 1.53Å | 1.50Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.55Å | 1.54Å | |
| C3 | N | sing | 1.48Å | 1.47Å | |
| C2 | C1 | sing | 1.55Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| N | C4 | sing | 1.35Å | 1.30Å | |
| N | C | sing | 1.47Å | 1.47Å | |
| C1 | C | sing | 1.54Å | 1.51Å | |
| C4 | O2 | doub | 1.21Å | 1.29Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | H23 | sing | 1.08Å | 1.08Å | |
| C14 | H24 | sing | 1.08Å | 1.08Å | |
| C13 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | N2 | sing | 1.46Å | 27.67Å | |
| N2 | C20 | sing | 1.35Å | 0.00Å | |
| N2 | C19 | sing | 1.47Å | 0.00Å | |
| C20 | O3 | sing | 1.35Å | 0.00Å | |
| O3 | C22 | sing | 1.45Å | 0.00Å | |
| C20 | O1 | doub | 1.22Å | 0.00Å | |
| C22 | C21 | sing | 1.53Å | 0.00Å | |
| C22 | C23 | sing | 1.53Å | 0.00Å | |
| C22 | C24 | sing | 1.53Å | 0.00Å | |
| C19 | H28 | sing | 1.09Å | 0.00Å | |
| C19 | H29 | sing | 1.09Å | 0.00Å | |
| C19 | H30 | sing | 1.09Å | 0.00Å | |
| C21 | H31 | sing | 1.09Å | 0.00Å | |
| C21 | H32 | sing | 1.09Å | 0.00Å | |
| C21 | H33 | sing | 1.09Å | 0.00Å | |
| C23 | H34 | sing | 1.09Å | 0.00Å | |
| C23 | H35 | sing | 1.09Å | 0.00Å | |
| C23 | H36 | sing | 1.09Å | 0.00Å | |
| C24 | H37 | sing | 1.09Å | 0.00Å | |
| C24 | H38 | sing | 1.09Å | 0.00Å | |
| C24 | H39 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C9 | C8 | 106.3° | 109.6° |
| C9 | N1 | C12 | 128.9° | 111.0° |
| C9 | N1 | C10 | 118.2° | 111.2° |
| N1 | C9 | H18 | 110.2° | 109.4° |
| N1 | C9 | H19 | 110.2° | 109.5° |
| C9 | C8 | C7 | 111.1° | 109.2° |
| C8 | C9 | H18 | 110.3° | 109.5° |
| C8 | C9 | H19 | 110.3° | 109.5° |
| C9 | C8 | H20 | 109.1° | 109.5° |
| C9 | C8 | H21 | 109.1° | 109.5° |
| C16 | C17 | C12 | 119.9° | 119.9° |
| C17 | C16 | C15 | 121.0° | 120.1° |
| C16 | C17 | H22 | 120.0° | 120.0° |
| C17 | C16 | H23 | 119.5° | 120.0° |
| C17 | C12 | N1 | 124.5° | 120.1° |
| C17 | C12 | C13 | 117.8° | 119.8° |
| C12 | C17 | H22 | 120.0° | 120.1° |
| C16 | C15 | C18 | 121.3° | 119.9° |
| C16 | C15 | C14 | 119.6° | 120.1° |
| C15 | C16 | H23 | 119.5° | 119.9° |
| C12 | N1 | C10 | 112.9° | 111.0° |
| N1 | C12 | C13 | 117.6° | 120.1° |
| N1 | C10 | C11 | 111.6° | 109.5° |
| N1 | C10 | H16 | 109.0° | 109.5° |
| N1 | C10 | H17 | 108.9° | 109.5° |
| C12 | C13 | C14 | 124.9° | 119.9° |
| C12 | C13 | H25 | 117.5° | 120.0° |
| C18 | C15 | C14 | 119.1° | 119.9° |
| C15 | C18 | H26 | 113.4° | 109.5° |
| C15 | C18 | H27 | 113.4° | 109.4° |
| C15 | C18 | N2 | 93.2° | 109.4° |
| C15 | C14 | C13 | 116.7° | 120.1° |
| C15 | C14 | H24 | 121.7° | 119.9° |
| C8 | C7 | C11 | 109.0° | 109.2° |
| C8 | C7 | C6 | 116.1° | 109.5° |
| C8 | C7 | H13 | 109.0° | 109.6° |
| C7 | C8 | H20 | 109.1° | 109.6° |
| C7 | C8 | H21 | 109.1° | 109.5° |
| C13 | C14 | H24 | 121.6° | 120.0° |
| C14 | C13 | H25 | 117.5° | 120.1° |
| C10 | C11 | C7 | 108.4° | 109.3° |
| C10 | C11 | H14 | 109.7° | 109.5° |
| C10 | C11 | H15 | 109.7° | 109.5° |
| C11 | C10 | H16 | 108.9° | 109.4° |
| C11 | C10 | H17 | 108.9° | 109.4° |
| C11 | C7 | C6 | 103.5° | 109.5° |
| C11 | C7 | H13 | 109.6° | 109.5° |
| C7 | C11 | H14 | 109.8° | 109.5° |
| C7 | C11 | H15 | 109.7° | 109.6° |
| C7 | C6 | C5 | 113.7° | 109.5° |
| C7 | C6 | H11 | 108.4° | 109.5° |
| C7 | C6 | H12 | 108.4° | 109.5° |
| C6 | C7 | H13 | 109.5° | 109.5° |
| C2 | C3 | N | 101.7° | 104.8° |
| C3 | C2 | C1 | 107.8° | 101.6° |
| C2 | C3 | H3 | 111.4° | 110.4° |
| C2 | C3 | H4 | 111.4° | 110.3° |
| C3 | C2 | H5 | 109.9° | 111.0° |
| C3 | C2 | H6 | 109.9° | 111.0° |
| C3 | N | C4 | 121.2° | 125.6° |
| C3 | N | C | 117.6° | 108.7° |
| N | C3 | H3 | 111.4° | 110.3° |
| N | C3 | H4 | 111.4° | 110.4° |
| C2 | C1 | C | 108.9° | 103.0° |
| C1 | C2 | H5 | 109.9° | 111.0° |
| C1 | C2 | H6 | 109.9° | 110.9° |
| C2 | C1 | H7 | 109.6° | 110.7° |
| C2 | C1 | H8 | 109.6° | 110.8° |
| C6 | C5 | C4 | 108.8° | 109.5° |
| C6 | C5 | H9 | 109.7° | 109.5° |
| C6 | C5 | H10 | 109.7° | 109.5° |
| C5 | C6 | H11 | 108.4° | 109.5° |
| C5 | C6 | H12 | 108.4° | 109.5° |
| C5 | C4 | N | 113.6° | 120.0° |
| C5 | C4 | O2 | 122.5° | 120.0° |
| C4 | C5 | H9 | 109.6° | 109.5° |
| C4 | C5 | H10 | 109.6° | 109.5° |
| C4 | N | C | 121.2° | 125.7° |
| N | C4 | O2 | 123.7° | 120.0° |
| N | C | C1 | 101.7° | 107.3° |
| N | C | H1 | 111.4° | 109.9° |
| N | C | H2 | 111.4° | 109.9° |
| C1 | C | H1 | 111.4° | 109.9° |
| C1 | C | H2 | 111.4° | 110.0° |
| C | C1 | H7 | 109.6° | 110.7° |
| C | C1 | H8 | 109.6° | 110.7° |
| H1 | C | H2 | 109.4° | 109.9° |
| H3 | C3 | H4 | 109.5° | 110.5° |
| H5 | C2 | H6 | 109.4° | 111.0° |
| H7 | C1 | H8 | 109.5° | 110.7° |
| H9 | C5 | H10 | 109.5° | 109.5° |
| H11 | C6 | H12 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.4° |
| H18 | C9 | H19 | 109.5° | 109.4° |
| H20 | C8 | H21 | 109.5° | 109.6° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H26 | C18 | N2 | 113.4° | 109.5° |
| H27 | C18 | N2 | 113.4° | 109.5° |
| C18 | N2 | C20 | 90.0° | 120.0° |
| C18 | N2 | C19 | 90.0° | 120.0° |
| C20 | N2 | C19 | 90.0° | 119.9° |
| N2 | C20 | O3 | 90.0° | 120.0° |
| N2 | C20 | O1 | 90.0° | 120.0° |
| N2 | C19 | H28 | 90.0° | 109.4° |
| N2 | C19 | H29 | 90.0° | 109.5° |
| N2 | C19 | H30 | 90.0° | 109.5° |
| C20 | O3 | C22 | 90.0° | 117.0° |
| O3 | C20 | O1 | 90.0° | 120.0° |
| O3 | C22 | C21 | 90.0° | 109.5° |
| O3 | C22 | C23 | 90.0° | 109.5° |
| O3 | C22 | C24 | 90.0° | 109.5° |
| C21 | C22 | C23 | 90.0° | 109.5° |
| C21 | C22 | C24 | 90.0° | 109.5° |
| C22 | C21 | H31 | 90.0° | 109.5° |
| C22 | C21 | H32 | 90.0° | 109.5° |
| C22 | C21 | H33 | 90.0° | 109.5° |
| C23 | C22 | C24 | 90.0° | 109.5° |
| C22 | C23 | H34 | 90.0° | 109.5° |
| C22 | C23 | H35 | 90.0° | 109.5° |
| C22 | C23 | H36 | 90.0° | 109.5° |
| C22 | C24 | H37 | 90.0° | 109.4° |
| C22 | C24 | H38 | 90.0° | 109.5° |
| C22 | C24 | H39 | 90.0° | 109.5° |
| H28 | C19 | H29 | 90.0° | 109.5° |
| H28 | C19 | H30 | 90.0° | 109.4° |
| H29 | C19 | H30 | 90.0° | 109.5° |
| H31 | C21 | H32 | 90.0° | 109.4° |
| H31 | C21 | H33 | 90.0° | 109.5° |
| H32 | C21 | H33 | 90.0° | 109.5° |
| H34 | C23 | H35 | 90.0° | 109.4° |
| H34 | C23 | H36 | 90.0° | 109.5° |
| H35 | C23 | H36 | 90.0° | 109.4° |
| H37 | C24 | H38 | 90.0° | 109.5° |
| H37 | C24 | H39 | 90.0° | 109.5° |
| H38 | C24 | H39 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C9 | C8 | H18 | 119.5° | 120.0° |
| N1 | C9 | C8 | H19 | 119.5° | 120.1° |
| C9 | N1 | C12 | C17 | 8.9° | 123.9° |
| C9 | N1 | C12 | C10 | 177.5° | 124.1° |
| C9 | N1 | C12 | C13 | 169.7° | 55.8° |
| N1 | C9 | C8 | C7 | 55.6° | 59.2° |
| C9 | N1 | C10 | C11 | 55.5° | 61.8° |
| C9 | N1 | C10 | H16 | 64.8° | 178.2° |
| C9 | N1 | C10 | H17 | 175.9° | 58.2° |
| N1 | C9 | H18 | H19 | 121.4° | 120.0° |
| N1 | C9 | C8 | H20 | 64.6° | 179.2° |
| N1 | C9 | C8 | H21 | 175.9° | 60.7° |
| C8 | C9 | N1 | C12 | 128.4° | 174.2° |
| C8 | C9 | N1 | C10 | 54.2° | 61.8° |
| C9 | C8 | C7 | H20 | 120.3° | 120.0° |
| C9 | C8 | C7 | H21 | 120.2° | 119.9° |
| C9 | C8 | C7 | C11 | 61.5° | 57.6° |
| C9 | C8 | C7 | C6 | 177.7° | 177.5° |
| C9 | C8 | C7 | H13 | 58.1° | 62.4° |
| C8 | C9 | H18 | H19 | 121.5° | 120.0° |
| C9 | C8 | H20 | H21 | 119.3° | 120.1° |
| C16 | C17 | C12 | H22 | 180.0° | 180.0° |
| C17 | C16 | C15 | H23 | 180.0° | 179.9° |
| C16 | C17 | C12 | N1 | 179.4° | 180.0° |
| C16 | C17 | C12 | C13 | 0.8° | 0.3° |
| C17 | C16 | C15 | C18 | 179.8° | 180.0° |
| C17 | C16 | C15 | C14 | 0.6° | 0.0° |
| C12 | C17 | C16 | C15 | 0.5° | 0.0° |
| C17 | C12 | N1 | C13 | 178.6° | 179.7° |
| C17 | C12 | N1 | C10 | 173.6° | 0.2° |
| C17 | C12 | C13 | C14 | 0.0° | 0.6° |
| C12 | C17 | C16 | H23 | 179.5° | 179.9° |
| C17 | C12 | C13 | H25 | 179.9° | 179.7° |
| C16 | C15 | C18 | C14 | 179.2° | 180.0° |
| C16 | C15 | C14 | C13 | 1.3° | 0.3° |
| C15 | C16 | C17 | H22 | 179.5° | 180.0° |
| C16 | C15 | C14 | H24 | 178.7° | 180.0° |
| C16 | C15 | C18 | H26 | 44.2° | 150.0° |
| C16 | C15 | C18 | H27 | 81.5° | 30.0° |
| C16 | C15 | C18 | N2 | 161.4° | 90.0° |
| N1 | C12 | C13 | C14 | 178.7° | 179.7° |
| C12 | N1 | C10 | C11 | 126.6° | 174.2° |
| C12 | N1 | C10 | H16 | 113.0° | 54.2° |
| C12 | N1 | C10 | H17 | 6.3° | 65.8° |
| C12 | N1 | C9 | H18 | 8.9° | 54.2° |
| C12 | N1 | C9 | H19 | 112.1° | 65.7° |
| N1 | C12 | C17 | H22 | 0.6° | 0.0° |
| N1 | C12 | C13 | H25 | 1.2° | 0.0° |
| C10 | N1 | C12 | C13 | 7.8° | 180.0° |
| N1 | C10 | C11 | H16 | 120.4° | 120.0° |
| N1 | C10 | C11 | H17 | 120.3° | 120.1° |
| N1 | C10 | C11 | C7 | 54.5° | 59.2° |
| N1 | C10 | C11 | H14 | 174.3° | 60.8° |
| N1 | C10 | C11 | H15 | 65.3° | 179.2° |
| N1 | C10 | H16 | H17 | 119.0° | 120.1° |
| C10 | N1 | C9 | H18 | 173.7° | 178.2° |
| C10 | N1 | C9 | H19 | 65.3° | 58.3° |
| C12 | C13 | C14 | C15 | 1.0° | 0.6° |
| C12 | C13 | C14 | H25 | 180.0° | 179.7° |
| C13 | C12 | C17 | H22 | 179.2° | 179.8° |
| C12 | C13 | C14 | H24 | 179.0° | 179.7° |
| C18 | C15 | C14 | C13 | 179.5° | 179.7° |
| C18 | C15 | C16 | H23 | 0.2° | 0.0° |
| C18 | C15 | C14 | H24 | 0.5° | 0.0° |
| C15 | C18 | H26 | H27 | 127.7° | 120.0° |
| C15 | C18 | H26 | N2 | 104.7° | 120.0° |
| C15 | C18 | H27 | N2 | 104.7° | 119.9° |
| C15 | C18 | N2 | C20 | 90.0° | 90.0° |
| C15 | C18 | N2 | C19 | 90.0° | 90.0° |
| C15 | C14 | C13 | H24 | 180.0° | 179.7° |
| C14 | C15 | C16 | H23 | 179.4° | 179.9° |
| C15 | C14 | C13 | H25 | 179.0° | 179.7° |
| C14 | C15 | C18 | H26 | 135.0° | 30.0° |
| C14 | C15 | C18 | H27 | 99.3° | 150.0° |
| C14 | C15 | C18 | N2 | 17.8° | 90.0° |
| C8 | C7 | C11 | C10 | 58.4° | 57.7° |
| C8 | C7 | C11 | C6 | 124.1° | 119.9° |
| C8 | C7 | C11 | H13 | 119.2° | 120.0° |
| C8 | C7 | C6 | H13 | 124.0° | 120.1° |
| C8 | C7 | C6 | C5 | 57.5° | 65.3° |
| C8 | C7 | C6 | H11 | 178.1° | 54.7° |
| C8 | C7 | C6 | H12 | 63.2° | 174.7° |
| C8 | C7 | C11 | H14 | 178.3° | 62.3° |
| C8 | C7 | C11 | H15 | 61.4° | 177.6° |
| C7 | C8 | C9 | H18 | 175.1° | 179.1° |
| C7 | C8 | C9 | H19 | 63.9° | 60.9° |
| C7 | C8 | H20 | H21 | 119.2° | 120.1° |
| C10 | C11 | C7 | H14 | 119.8° | 119.9° |
| C10 | C11 | C7 | H15 | 119.8° | 119.9° |
| C10 | C11 | C7 | C6 | 177.5° | 177.6° |
| C10 | C11 | C7 | H13 | 60.8° | 62.3° |
| C10 | C11 | H14 | H15 | 120.5° | 120.0° |
| C11 | C10 | H16 | H17 | 119.0° | 119.9° |
| C11 | C7 | C6 | H13 | 116.7° | 120.1° |
| C11 | C7 | C6 | C5 | 176.8° | 175.0° |
| C11 | C7 | C6 | H11 | 62.6° | 65.0° |
| C11 | C7 | C6 | H12 | 56.1° | 55.0° |
| C7 | C11 | H14 | H15 | 120.5° | 120.2° |
| C7 | C11 | C10 | H16 | 65.9° | 179.2° |
| C7 | C11 | C10 | H17 | 174.8° | 60.9° |
| C11 | C7 | C8 | H20 | 58.8° | 177.6° |
| C11 | C7 | C8 | H21 | 178.3° | 62.2° |
| C7 | C6 | C5 | H11 | 120.6° | 120.0° |
| C7 | C6 | C5 | H12 | 120.6° | 120.0° |
| C7 | C6 | C5 | C4 | 177.1° | 180.0° |
| C7 | C6 | C5 | H9 | 63.0° | 60.0° |
| C7 | C6 | C5 | H10 | 57.2° | 60.0° |
| C7 | C6 | H11 | H12 | 118.1° | 120.0° |
| C6 | C7 | C11 | H14 | 57.6° | 57.7° |
| C6 | C7 | C11 | H15 | 62.7° | 62.5° |
| C6 | C7 | C8 | H20 | 57.5° | 62.5° |
| C6 | C7 | C8 | H21 | 62.0° | 57.7° |
| C2 | C3 | N | H3 | 118.7° | 118.8° |
| C2 | C3 | N | H4 | 118.7° | 118.8° |
| C3 | C2 | C1 | H5 | 119.8° | 118.1° |
| C3 | C2 | C1 | H6 | 119.7° | 118.1° |
| C2 | C3 | N | C4 | 178.9° | 155.8° |
| C2 | C3 | N | C | 0.2° | 23.9° |
| C3 | C2 | C1 | C | 15.4° | 35.6° |
| C2 | C3 | H3 | H4 | 123.7° | 122.3° |
| C3 | C2 | H5 | H6 | 120.8° | 123.9° |
| C3 | C2 | C1 | H7 | 104.5° | 153.9° |
| C3 | C2 | C1 | H8 | 135.3° | 82.8° |
| N | C3 | C2 | C1 | 9.1° | 36.9° |
| C3 | N | C4 | C5 | 8.2° | 0.3° |
| C3 | N | C4 | C | 178.6° | 179.7° |
| C3 | N | C | C1 | 9.3° | 0.9° |
| C3 | N | C4 | O2 | 175.9° | 179.7° |
| C3 | N | C | H1 | 109.5° | 120.2° |
| C3 | N | C | H2 | 128.0° | 118.7° |
| N | C3 | H3 | H4 | 123.6° | 122.3° |
| N | C3 | C2 | H5 | 128.9° | 155.0° |
| N | C3 | C2 | H6 | 110.6° | 81.1° |
| C2 | C1 | C | N | 14.5° | 22.4° |
| C2 | C1 | C | H7 | 119.9° | 118.4° |
| C2 | C1 | C | H8 | 119.9° | 118.5° |
| C2 | C1 | C | H1 | 104.2° | 97.0° |
| C2 | C1 | C | H2 | 133.3° | 141.9° |
| C1 | C2 | C3 | H3 | 127.8° | 81.8° |
| C1 | C2 | C3 | H4 | 109.6° | 155.8° |
| C1 | C2 | H5 | H6 | 120.8° | 123.8° |
| C2 | C1 | H7 | H8 | 120.3° | 123.3° |
| C6 | C5 | C4 | H9 | 119.9° | 120.0° |
| C6 | C5 | C4 | H10 | 119.9° | 120.0° |
| C6 | C5 | C4 | N | 179.5° | 180.0° |
| C6 | C5 | C4 | O2 | 4.6° | 0.0° |
| C6 | C5 | H9 | H10 | 120.3° | 120.0° |
| C5 | C6 | H11 | H12 | 118.1° | 120.0° |
| C5 | C6 | C7 | H13 | 66.5° | 54.9° |
| C5 | C4 | N | O2 | 175.9° | 180.0° |
| C5 | C4 | N | C | 173.1° | 180.0° |
| C4 | C5 | H9 | H10 | 120.3° | 120.0° |
| C4 | C5 | C6 | H11 | 56.5° | 60.0° |
| C4 | C5 | C6 | H12 | 62.3° | 60.0° |
| C4 | N | C | C1 | 172.0° | 178.9° |
| C4 | N | C | H1 | 69.2° | 59.5° |
| C4 | N | C | H2 | 53.3° | 61.5° |
| C4 | N | C3 | H3 | 60.2° | 85.4° |
| C4 | N | C3 | H4 | 62.4° | 37.0° |
| N | C4 | C5 | H9 | 60.6° | 60.0° |
| N | C4 | C5 | H10 | 59.6° | 60.0° |
| N | C | C1 | H1 | 118.7° | 119.4° |
| N | C | C1 | H2 | 118.8° | 119.5° |
| C | N | C4 | O2 | 2.7° | 0.0° |
| N | C | H1 | H2 | 123.6° | 121.0° |
| C | N | C3 | H3 | 118.5° | 94.9° |
| C | N | C3 | H4 | 119.0° | 142.8° |
| N | C | C1 | H7 | 105.4° | 140.7° |
| N | C | C1 | H8 | 134.4° | 96.1° |
| C1 | C | H1 | H2 | 123.6° | 121.2° |
| C | C1 | C2 | H5 | 135.2° | 153.6° |
| C | C1 | C2 | H6 | 104.3° | 82.5° |
| C | C1 | H7 | H8 | 120.3° | 123.2° |
| O2 | C4 | C5 | H9 | 115.3° | 120.0° |
| O2 | C4 | C5 | H10 | 124.5° | 120.0° |
| H1 | C | C1 | H7 | 135.8° | 21.3° |
| H1 | C | C1 | H8 | 15.7° | 144.5° |
| H2 | C | C1 | H7 | 13.4° | 99.8° |
| H2 | C | C1 | H8 | 106.8° | 23.4° |
| H3 | C3 | C2 | H5 | 112.4° | 36.3° |
| H3 | C3 | C2 | H6 | 8.1° | 160.2° |
| H4 | C3 | C2 | H5 | 10.2° | 86.1° |
| H4 | C3 | C2 | H6 | 130.7° | 37.8° |
| H5 | C2 | C1 | H7 | 15.3° | 88.0° |
| H5 | C2 | C1 | H8 | 104.9° | 35.2° |
| H6 | C2 | C1 | H7 | 135.8° | 35.9° |
| H6 | C2 | C1 | H8 | 15.6° | 159.1° |
| H9 | C5 | C6 | H11 | 176.4° | NaN° |
| H9 | C5 | C6 | H12 | 57.6° | 60.0° |
| H10 | C5 | C6 | H11 | 63.4° | 60.0° |
| H10 | C5 | C6 | H12 | 177.8° | 180.0° |
| H11 | C6 | C7 | H13 | 54.1° | 174.9° |
| H12 | C6 | C7 | H13 | 172.9° | 65.1° |
| H13 | C7 | C11 | H14 | 59.1° | 177.7° |
| H13 | C7 | C11 | H15 | 179.4° | 57.6° |
| H13 | C7 | C8 | H20 | 178.4° | 57.6° |
| H13 | C7 | C8 | H21 | 62.1° | 177.8° |
| H14 | C11 | C10 | H16 | 54.0° | 59.3° |
| H14 | C11 | C10 | H17 | 65.3° | 179.2° |
| H15 | C11 | C10 | H16 | 174.3° | 60.8° |
| H15 | C11 | C10 | H17 | 55.0° | 59.1° |
| H18 | C9 | C8 | H20 | 54.9° | 60.9° |
| H18 | C9 | C8 | H21 | 64.6° | 59.3° |
| H19 | C9 | C8 | H20 | 175.9° | 59.1° |
| H19 | C9 | C8 | H21 | 56.4° | 179.2° |
| H22 | C17 | C16 | H23 | 0.5° | 0.0° |
| H24 | C14 | C13 | H25 | 1.0° | 0.0° |
| H26 | C18 | H27 | N2 | 127.7° | 120.1° |
| H26 | C18 | N2 | C20 | 90.0° | 29.9° |
| H26 | C18 | N2 | C19 | 90.0° | 150.0° |
| H27 | C18 | N2 | C20 | 90.0° | 150.0° |
| H27 | C18 | N2 | C19 | 90.0° | 29.9° |
| C18 | N2 | C20 | C19 | 90.0° | 179.9° |
| C18 | N2 | C20 | O3 | 90.0° | 180.0° |
| C18 | N2 | C20 | O1 | 90.0° | 0.1° |
| C18 | N2 | C19 | H28 | 90.0° | 90.0° |
| C18 | N2 | C19 | H29 | 90.0° | 150.0° |
| C18 | N2 | C19 | H30 | 90.0° | 29.9° |
| N2 | C20 | O3 | O1 | 90.0° | 180.0° |
| N2 | C20 | O3 | C22 | 90.0° | 180.0° |
| C20 | N2 | C19 | H28 | 90.0° | 90.1° |
| C20 | N2 | C19 | H29 | 90.0° | 30.0° |
| C20 | N2 | C19 | H30 | 90.0° | 150.0° |
| C19 | N2 | C20 | O3 | 90.0° | 0.0° |
| C19 | N2 | C20 | O1 | 90.0° | 180.0° |
| N2 | C19 | H28 | H29 | 90.0° | 120.1° |
| N2 | C19 | H28 | H30 | 90.0° | 119.9° |
| N2 | C19 | H29 | H30 | 90.0° | 120.0° |
| C20 | O3 | C22 | C21 | 90.0° | 60.0° |
| C20 | O3 | C22 | C23 | 90.0° | 180.0° |
| C20 | O3 | C22 | C24 | 90.0° | 60.0° |
| C22 | O3 | C20 | O1 | 90.0° | 0.0° |
| O3 | C22 | C21 | C23 | 90.0° | 120.0° |
| O3 | C22 | C21 | C24 | 90.0° | 120.0° |
| O3 | C22 | C23 | C24 | 90.0° | 120.0° |
| O3 | C22 | C21 | H31 | 90.0° | 60.0° |
| O3 | C22 | C21 | H32 | 90.0° | 180.0° |
| O3 | C22 | C21 | H33 | 90.0° | 60.0° |
| O3 | C22 | C23 | H34 | 90.0° | 60.0° |
| O3 | C22 | C23 | H35 | 90.0° | 180.0° |
| O3 | C22 | C23 | H36 | 90.0° | 60.0° |
| O3 | C22 | C24 | H37 | 90.0° | 60.0° |
| O3 | C22 | C24 | H38 | 90.0° | 180.0° |
| O3 | C22 | C24 | H39 | 90.0° | 60.0° |
| C21 | C22 | C23 | C24 | 90.0° | 120.0° |
| C22 | C21 | H31 | H32 | 90.0° | 120.0° |
| C22 | C21 | H31 | H33 | 90.0° | 120.0° |
| C22 | C21 | H32 | H33 | 90.0° | 120.0° |
| C21 | C22 | C23 | H34 | 90.0° | 180.0° |
| C21 | C22 | C23 | H35 | 90.0° | 60.0° |
| C21 | C22 | C23 | H36 | 90.0° | 60.0° |
| C21 | C22 | C24 | H37 | 90.0° | 60.0° |
| C21 | C22 | C24 | H38 | 90.0° | 60.0° |
| C21 | C22 | C24 | H39 | 90.0° | 180.0° |
| C23 | C22 | C21 | H31 | 90.0° | 60.0° |
| C23 | C22 | C21 | H32 | 90.0° | 60.0° |
| C23 | C22 | C21 | H33 | 90.0° | 180.0° |
| C22 | C23 | H34 | H35 | 90.0° | 120.0° |
| C22 | C23 | H34 | H36 | 90.0° | 120.0° |
| C22 | C23 | H35 | H36 | 90.0° | 120.0° |
| C23 | C22 | C24 | H37 | 90.0° | 180.0° |
| C23 | C22 | C24 | H38 | 90.0° | 60.0° |
| C23 | C22 | C24 | H39 | 90.0° | 60.0° |
| C24 | C22 | C21 | H31 | 90.0° | 180.0° |
| C24 | C22 | C21 | H32 | 90.0° | 60.0° |
| C24 | C22 | C21 | H33 | 90.0° | 60.0° |
| C24 | C22 | C23 | H34 | 90.0° | 60.0° |
| C24 | C22 | C23 | H35 | 90.0° | 60.0° |
| C24 | C22 | C23 | H36 | 90.0° | 180.0° |
| C22 | C24 | H37 | H38 | 90.0° | 119.9° |
| C22 | C24 | H37 | H39 | 90.0° | 120.0° |
| C22 | C24 | H38 | H39 | 90.0° | 120.0° |
| H28 | C19 | H29 | H30 | 90.0° | 119.9° |
| H31 | C21 | H32 | H33 | 90.0° | 120.0° |
| H34 | C23 | H35 | H36 | 90.0° | 120.0° |
| H37 | C24 | H38 | H39 | 90.0° | 120.1° |
