N4K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C10 | sing | 1.54Å | 1.52Å | |
| C09 | C08 | sing | 1.54Å | 1.53Å | |
| C10 | C07 | sing | 1.54Å | 1.53Å | |
| C08 | C07 | sing | 1.54Å | 1.52Å | |
| C07 | C06 | sing | 1.51Å | 1.52Å | |
| C06 | C11 | doub | 1.35Å | 1.35Å | Aromatic |
| C06 | N05 | sing | 1.34Å | 1.32Å | Aromatic |
| C11 | N12 | sing | 1.37Å | 1.31Å | Aromatic |
| N05 | C04 | doub | 1.32Å | 1.34Å | Aromatic |
| N12 | C04 | sing | 1.37Å | 1.34Å | Aromatic |
| N12 | C13 | sing | 1.47Å | 1.45Å | |
| O15 | C14 | sing | 1.43Å | 1.40Å | |
| O15 | C16 | sing | 1.36Å | 1.40Å | |
| C04 | C03 | sing | 1.47Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C01 | N02 | sing | 1.46Å | 1.45Å | |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | N02 | sing | 1.38Å | 1.35Å | Aromatic |
| C03 | C29 | doub | 1.36Å | 1.40Å | Aromatic |
| N02 | C31 | sing | 1.39Å | 1.35Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.41Å | 1.38Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.54Å | Aromatic |
| C19 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | O20 | sing | 1.36Å | 1.39Å | |
| C30 | S34 | sing | 1.76Å | 1.63Å | Aromatic |
| C32 | C33 | doub | 1.33Å | 1.43Å | Aromatic |
| O20 | C21 | sing | 1.43Å | 1.39Å | |
| C21 | C26 | sing | 1.53Å | 1.49Å | |
| C21 | C22 | sing | 1.53Å | 1.47Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C33 | S34 | sing | 1.76Å | 1.61Å | Aromatic |
| C25 | N24 | sing | 1.47Å | 1.48Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | N24 | sing | 1.47Å | 1.48Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C33 | H9 | sing | 1.08Å | 1.08Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| N24 | H32 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C09 | C08 | 88.8° | 87.1° |
| C09 | C10 | C07 | 89.4° | 87.1° |
| C10 | C09 | H16 | 114.4° | 113.6° |
| C10 | C09 | H17 | 114.3° | 113.7° |
| C09 | C10 | H18 | 114.2° | 113.6° |
| C09 | C10 | H19 | 114.2° | 113.6° |
| C09 | C08 | C07 | 89.2° | 87.1° |
| C09 | C08 | H14 | 114.3° | 113.6° |
| C09 | C08 | H15 | 114.3° | 113.7° |
| C08 | C09 | H16 | 114.3° | 113.5° |
| C08 | C09 | H17 | 114.4° | 113.7° |
| C10 | C07 | C08 | 88.7° | 87.1° |
| C10 | C07 | C06 | 121.2° | 113.6° |
| C10 | C07 | H13 | 109.8° | 113.6° |
| C07 | C10 | H18 | 114.2° | 113.6° |
| C07 | C10 | H19 | 114.2° | 113.8° |
| C08 | C07 | C06 | 115.8° | 113.6° |
| C08 | C07 | H13 | 109.8° | 113.6° |
| C07 | C08 | H14 | 114.3° | 113.6° |
| C07 | C08 | H15 | 114.3° | 113.7° |
| C07 | C06 | C11 | 125.9° | 125.7° |
| C07 | C06 | N05 | 126.2° | 125.7° |
| C06 | C07 | H13 | 109.8° | 112.9° |
| C11 | C06 | N05 | 107.9° | 108.5° |
| C06 | C11 | N12 | 107.8° | 107.1° |
| C06 | C11 | H20 | 126.1° | 126.5° |
| C06 | N05 | C04 | 108.3° | 109.2° |
| C11 | N12 | C04 | 108.8° | 106.9° |
| C11 | N12 | C13 | 123.4° | 126.5° |
| N12 | C11 | H20 | 126.1° | 126.4° |
| N05 | C04 | N12 | 107.2° | 108.3° |
| N05 | C04 | C03 | 124.5° | 125.9° |
| C04 | N12 | C13 | 127.8° | 126.5° |
| N12 | C04 | C03 | 128.4° | 125.9° |
| N12 | C13 | C14 | 107.7° | 109.4° |
| N12 | C13 | H1 | 109.9° | 109.5° |
| N12 | C13 | H2 | 109.9° | 109.5° |
| C14 | O15 | C16 | 115.5° | 117.0° |
| O15 | C14 | C13 | 107.8° | 109.4° |
| O15 | C14 | H3 | 109.9° | 109.5° |
| O15 | C14 | H4 | 109.9° | 109.4° |
| O15 | C16 | C17 | 119.9° | 120.0° |
| O15 | C16 | C28 | 120.5° | 120.0° |
| C04 | C03 | N02 | 125.5° | 125.6° |
| C04 | C03 | C29 | 126.9° | 125.7° |
| C14 | C13 | H1 | 109.9° | 109.5° |
| C14 | C13 | H2 | 109.9° | 109.5° |
| C13 | C14 | H3 | 109.9° | 109.5° |
| C13 | C14 | H4 | 109.9° | 109.5° |
| C01 | N02 | C03 | 125.9° | 125.8° |
| C01 | N02 | C31 | 124.2° | 125.7° |
| N02 | C01 | H10 | 109.5° | 109.5° |
| N02 | C01 | H11 | 109.5° | 109.5° |
| N02 | C01 | H12 | 109.4° | 109.5° |
| C16 | C17 | C18 | 120.9° | 120.0° |
| C17 | C16 | C28 | 119.7° | 120.0° |
| C16 | C17 | H21 | 119.5° | 120.0° |
| C17 | C18 | C19 | 119.1° | 120.0° |
| C18 | C17 | H21 | 119.5° | 120.0° |
| C17 | C18 | H22 | 120.4° | 120.0° |
| C16 | C28 | C27 | 119.5° | 120.0° |
| C16 | C28 | H29 | 120.3° | 120.0° |
| N02 | C03 | C29 | 107.7° | 108.7° |
| C03 | N02 | C31 | 109.9° | 108.6° |
| C03 | C29 | C30 | 107.2° | 107.7° |
| C03 | C29 | H30 | 126.4° | 126.1° |
| N02 | C31 | C30 | 107.8° | 107.1° |
| N02 | C31 | C32 | 142.1° | 139.8° |
| C18 | C19 | C27 | 120.1° | 120.0° |
| C18 | C19 | O20 | 120.3° | 120.0° |
| C19 | C18 | H22 | 120.5° | 120.0° |
| C28 | C27 | C19 | 120.6° | 119.9° |
| C28 | C27 | H28 | 119.7° | 120.0° |
| C27 | C28 | H29 | 120.2° | 120.0° |
| C29 | C30 | C31 | 107.5° | 107.9° |
| C29 | C30 | S34 | 142.8° | 142.6° |
| C30 | C29 | H30 | 126.4° | 126.1° |
| C30 | C31 | C32 | 110.0° | 113.0° |
| C31 | C30 | S34 | 109.7° | 109.6° |
| C31 | C32 | C33 | 109.9° | 115.6° |
| C31 | C32 | H31 | 125.1° | 122.2° |
| C27 | C19 | O20 | 119.5° | 120.0° |
| C19 | C27 | H28 | 119.7° | 120.0° |
| C19 | O20 | C21 | 113.7° | 117.0° |
| C30 | S34 | C33 | 101.2° | 91.3° |
| C32 | C33 | S34 | 109.2° | 110.5° |
| C32 | C33 | H9 | 125.4° | 124.8° |
| C33 | C32 | H31 | 125.1° | 122.2° |
| O20 | C21 | C26 | 108.8° | 109.5° |
| O20 | C21 | C22 | 101.4° | 109.5° |
| O20 | C21 | H23 | 111.7° | 109.6° |
| C26 | C21 | C22 | 113.9° | 109.2° |
| C21 | C26 | C25 | 114.4° | 109.3° |
| C26 | C21 | H23 | 110.2° | 109.5° |
| C21 | C26 | H26 | 108.2° | 109.5° |
| C21 | C26 | H27 | 108.2° | 109.5° |
| C21 | C22 | C23 | 113.1° | 109.3° |
| C21 | C22 | H5 | 108.6° | 109.5° |
| C21 | C22 | H6 | 108.6° | 109.6° |
| C22 | C21 | H23 | 110.5° | 109.5° |
| C26 | C25 | N24 | 111.5° | 109.5° |
| C26 | C25 | H24 | 108.9° | 109.5° |
| C26 | C25 | H25 | 109.0° | 109.4° |
| C25 | C26 | H26 | 108.2° | 109.5° |
| C25 | C26 | H27 | 108.2° | 109.5° |
| S34 | C33 | H9 | 125.4° | 124.8° |
| C25 | N24 | C23 | 111.0° | 111.2° |
| N24 | C25 | H24 | 109.0° | 109.4° |
| N24 | C25 | H25 | 108.9° | 109.4° |
| C25 | N24 | H32 | 109.1° | 111.0° |
| C22 | C23 | N24 | 110.8° | 109.6° |
| C23 | C22 | H5 | 108.5° | 109.5° |
| C23 | C22 | H6 | 108.5° | 109.5° |
| C22 | C23 | H7 | 109.1° | 109.4° |
| C22 | C23 | H8 | 109.1° | 109.5° |
| N24 | C23 | H7 | 109.1° | 109.4° |
| N24 | C23 | H8 | 109.1° | 109.4° |
| C23 | N24 | H32 | 109.1° | 111.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H7 | C23 | H8 | 109.4° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.4° |
| H14 | C08 | H15 | 109.4° | 112.8° |
| H16 | C09 | H17 | 109.5° | 112.9° |
| H18 | C10 | H19 | 109.5° | 112.8° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C09 | C08 | H16 | 116.3° | 114.5° |
| C10 | C09 | C08 | H17 | 116.3° | 114.6° |
| C09 | C10 | C07 | H18 | 116.5° | 114.5° |
| C09 | C10 | C07 | H19 | 116.4° | 114.6° |
| C10 | C09 | C08 | C07 | 14.9° | 25.3° |
| C09 | C10 | C07 | C06 | 134.6° | 139.9° |
| C09 | C10 | C07 | H13 | 95.7° | 89.2° |
| C10 | C09 | C08 | H14 | 101.5° | 139.9° |
| C10 | C09 | C08 | H15 | 131.3° | 89.3° |
| C10 | C09 | H16 | H17 | 129.8° | 131.4° |
| C09 | C10 | H18 | H19 | 129.5° | 131.2° |
| C09 | C08 | C07 | H14 | 116.4° | 114.6° |
| C09 | C08 | C07 | H15 | 116.4° | 114.6° |
| C09 | C08 | C07 | C06 | 139.1° | 140.0° |
| C09 | C08 | C07 | H13 | 95.8° | 89.2° |
| C09 | C08 | H14 | H15 | 129.6° | 131.3° |
| C08 | C09 | H16 | H17 | 129.8° | 131.2° |
| C08 | C09 | C10 | H18 | 131.3° | 89.2° |
| C08 | C09 | C10 | H19 | 101.6° | 140.0° |
| C10 | C07 | C08 | C06 | 124.3° | 114.6° |
| C10 | C07 | C08 | H13 | 110.6° | 114.5° |
| C10 | C07 | C06 | H13 | 129.7° | 131.2° |
| C10 | C07 | C06 | C11 | 174.1° | 14.1° |
| C10 | C07 | C06 | N05 | 5.9° | 165.8° |
| C10 | C07 | C08 | H14 | 101.6° | 139.9° |
| C10 | C07 | C08 | H15 | 131.2° | 89.3° |
| C07 | C10 | C09 | H16 | 131.2° | 89.1° |
| C07 | C10 | C09 | H17 | 101.5° | 140.0° |
| C07 | C10 | H18 | H19 | 129.5° | 131.3° |
| C08 | C07 | C06 | H13 | 125.1° | 131.2° |
| C08 | C07 | C06 | C11 | 80.7° | 83.5° |
| C08 | C07 | C06 | N05 | 99.4° | 96.6° |
| C07 | C08 | H14 | H15 | 129.6° | 131.2° |
| C07 | C08 | C09 | H16 | 131.2° | 89.2° |
| C07 | C08 | C09 | H17 | 101.4° | 140.0° |
| C08 | C07 | C10 | H18 | 131.4° | 89.2° |
| C08 | C07 | C10 | H19 | 101.5° | 139.9° |
| C07 | C06 | C11 | N05 | 179.9° | 179.9° |
| C07 | C06 | C11 | N12 | 179.9° | 180.0° |
| C07 | C06 | N05 | C04 | 179.7° | 179.8° |
| C06 | C07 | C08 | H14 | 22.7° | 105.5° |
| C06 | C07 | C08 | H15 | 104.4° | 25.3° |
| C06 | C07 | C10 | H18 | 108.9° | 25.4° |
| C06 | C07 | C10 | H19 | 18.2° | 105.5° |
| C07 | C06 | C11 | H20 | 0.1° | 0.1° |
| C06 | C11 | N12 | H20 | 180.0° | 179.9° |
| C11 | C06 | N05 | C04 | 0.2° | 0.1° |
| C06 | C11 | N12 | C04 | 0.5° | 0.2° |
| C06 | C11 | N12 | C13 | 179.3° | 179.9° |
| C11 | C06 | C07 | H13 | 44.4° | 145.3° |
| N05 | C06 | C11 | N12 | 0.2° | 0.1° |
| C06 | N05 | C04 | N12 | 0.5° | 0.2° |
| C06 | N05 | C04 | C03 | 179.9° | 180.0° |
| N05 | C06 | C07 | H13 | 135.6° | 34.6° |
| N05 | C06 | C11 | H20 | 179.8° | 180.0° |
| C11 | N12 | C04 | N05 | 0.6° | 0.2° |
| C11 | N12 | C04 | C13 | 178.7° | 179.9° |
| C11 | N12 | C04 | C03 | 180.0° | 179.9° |
| C11 | N12 | C13 | C14 | 80.6° | 96.1° |
| C11 | N12 | C13 | H1 | 159.7° | 143.9° |
| C11 | N12 | C13 | H2 | 39.1° | 23.9° |
| N05 | C04 | N12 | C03 | 179.4° | 179.8° |
| N05 | C04 | N12 | C13 | 179.3° | 179.9° |
| N05 | C04 | C03 | N02 | 36.1° | 7.3° |
| N05 | C04 | C03 | C29 | 142.9° | 172.8° |
| C04 | N12 | C13 | C14 | 98.0° | 83.7° |
| N12 | C04 | C03 | N02 | 144.6° | 172.5° |
| N12 | C04 | C03 | C29 | 36.4° | 7.5° |
| C04 | N12 | C13 | H1 | 21.8° | 36.2° |
| C04 | N12 | C13 | H2 | 142.3° | 156.2° |
| C04 | N12 | C11 | H20 | 179.5° | 179.9° |
| N12 | C13 | C14 | O15 | 42.0° | 176.2° |
| C13 | N12 | C04 | C03 | 1.3° | 0.1° |
| N12 | C13 | C14 | H1 | 119.7° | 120.0° |
| N12 | C13 | C14 | H2 | 119.7° | 120.0° |
| N12 | C13 | H1 | H2 | 120.8° | 120.0° |
| N12 | C13 | C14 | H3 | 77.7° | 63.8° |
| N12 | C13 | C14 | H4 | 161.7° | 56.2° |
| C13 | N12 | C11 | H20 | 0.7° | 0.0° |
| O15 | C14 | C13 | H3 | 119.8° | 120.0° |
| O15 | C14 | C13 | H4 | 119.7° | 119.9° |
| C14 | O15 | C16 | C17 | 174.1° | 0.3° |
| C14 | O15 | C16 | C28 | 5.3° | 180.0° |
| O15 | C14 | C13 | H1 | 77.7° | 63.8° |
| O15 | C14 | C13 | H2 | 161.7° | 56.2° |
| O15 | C14 | H3 | H4 | 120.8° | 120.0° |
| C16 | O15 | C14 | C13 | 96.5° | 180.0° |
| O15 | C16 | C17 | C28 | 179.4° | 179.8° |
| O15 | C16 | C17 | C18 | 179.9° | 179.8° |
| O15 | C16 | C28 | C27 | 179.9° | 179.7° |
| C16 | O15 | C14 | H3 | 143.8° | 60.0° |
| C16 | O15 | C14 | H4 | 23.3° | 60.0° |
| O15 | C16 | C17 | H21 | 0.1° | 0.3° |
| O15 | C16 | C28 | H29 | 0.1° | 0.2° |
| C04 | C03 | N02 | C01 | 0.7° | 0.0° |
| C04 | C03 | N02 | C29 | 179.2° | 180.0° |
| C04 | C03 | N02 | C31 | 179.4° | 179.8° |
| C04 | C03 | C29 | C30 | 179.5° | 179.6° |
| C04 | C03 | C29 | H30 | 0.5° | 0.0° |
| C14 | C13 | H1 | H2 | 120.8° | 120.0° |
| C13 | C14 | H3 | H4 | 120.8° | 120.0° |
| C01 | N02 | C03 | C31 | 179.9° | 179.8° |
| C01 | N02 | C03 | C29 | 179.9° | 180.0° |
| C01 | N02 | C31 | C30 | 179.9° | 179.8° |
| C01 | N02 | C31 | C32 | 0.1° | 0.2° |
| N02 | C01 | H10 | H11 | 120.0° | 120.0° |
| N02 | C01 | H10 | H12 | 120.0° | 120.0° |
| N02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C16 | C17 | C18 | H21 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C17 | C16 | C28 | C27 | 0.5° | 0.1° |
| C16 | C17 | C18 | H22 | 179.8° | 180.0° |
| C17 | C16 | C28 | H29 | 179.5° | 180.0° |
| C18 | C17 | C16 | C28 | 0.5° | 0.0° |
| C17 | C18 | C19 | H22 | 180.0° | 180.0° |
| C17 | C18 | C19 | C27 | 0.2° | 0.0° |
| C17 | C18 | C19 | O20 | 178.6° | 180.0° |
| C16 | C28 | C27 | H29 | 180.0° | 179.9° |
| C16 | C28 | C27 | C19 | 0.2° | 0.2° |
| C28 | C16 | C17 | H21 | 179.5° | 179.9° |
| C16 | C28 | C27 | H28 | 179.8° | 179.9° |
| N02 | C03 | C29 | C30 | 0.3° | 0.3° |
| C03 | N02 | C31 | C30 | 0.0° | 0.0° |
| C03 | N02 | C31 | C32 | 179.7° | 180.0° |
| C03 | N02 | C01 | H10 | 180.0° | 92.8° |
| C03 | N02 | C01 | H11 | 60.0° | 147.2° |
| C03 | N02 | C01 | H12 | 60.0° | 27.2° |
| N02 | C03 | C29 | H30 | 179.7° | 180.0° |
| C29 | C03 | N02 | C31 | 0.2° | 0.2° |
| C03 | C29 | C30 | H30 | 180.0° | 179.6° |
| C03 | C29 | C30 | C31 | 0.3° | 0.3° |
| C03 | C29 | C30 | S34 | 179.9° | 180.0° |
| N02 | C31 | C30 | C29 | 0.2° | 0.2° |
| N02 | C31 | C30 | C32 | 179.8° | 180.0° |
| N02 | C31 | C30 | S34 | 179.9° | 180.0° |
| N02 | C31 | C32 | C33 | 179.7° | 180.0° |
| C31 | N02 | C01 | H10 | 0.1° | 87.5° |
| C31 | N02 | C01 | H11 | 119.9° | 32.6° |
| C31 | N02 | C01 | H12 | 120.1° | 152.5° |
| N02 | C31 | C32 | H31 | 0.4° | 0.0° |
| C18 | C19 | C27 | C28 | 0.2° | 0.1° |
| C18 | C19 | C27 | O20 | 178.4° | 180.0° |
| C18 | C19 | O20 | C21 | 45.3° | 3.9° |
| C19 | C18 | C17 | H21 | 179.8° | 180.0° |
| C18 | C19 | C27 | H28 | 179.8° | 180.0° |
| C28 | C27 | C19 | H28 | 180.0° | 179.9° |
| C28 | C27 | C19 | O20 | 178.6° | 179.9° |
| C29 | C30 | C31 | S34 | 179.8° | 179.8° |
| C29 | C30 | C31 | C32 | 180.0° | 179.8° |
| C29 | C30 | S34 | C33 | 180.0° | 179.7° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C31 | C30 | S34 | C33 | 0.2° | 0.0° |
| C31 | C30 | C29 | H30 | 179.7° | 180.0° |
| C30 | C31 | C32 | H31 | 179.9° | 180.0° |
| C32 | C31 | C30 | S34 | 0.1° | 0.0° |
| C31 | C32 | C33 | H31 | 180.0° | 180.0° |
| C31 | C32 | C33 | S34 | 0.2° | 0.0° |
| C31 | C32 | C33 | H9 | 179.8° | 180.0° |
| C27 | C19 | O20 | C21 | 136.3° | 176.1° |
| C27 | C19 | C18 | H22 | 179.8° | 180.0° |
| C19 | C27 | C28 | H29 | 179.8° | 180.0° |
| C19 | O20 | C21 | C26 | 131.6° | 156.8° |
| C19 | O20 | C21 | C22 | 108.1° | 83.5° |
| O20 | C19 | C18 | H22 | 1.5° | 0.1° |
| C19 | O20 | C21 | H23 | 9.6° | 36.7° |
| O20 | C19 | C27 | H28 | 1.4° | 0.0° |
| C30 | S34 | C33 | C32 | 0.2° | 0.0° |
| C30 | S34 | C33 | H9 | 179.8° | 180.0° |
| S34 | C30 | C29 | H30 | 0.1° | 0.4° |
| C32 | C33 | S34 | H9 | 180.0° | 180.0° |
| O20 | C21 | C26 | C22 | 112.2° | 119.9° |
| O20 | C21 | C26 | H23 | 122.9° | 120.1° |
| O20 | C21 | C22 | H23 | 118.6° | 120.2° |
| O20 | C21 | C26 | C25 | 155.7° | 177.6° |
| O20 | C21 | C22 | C23 | 163.1° | 177.5° |
| O20 | C21 | C22 | H5 | 76.4° | 57.6° |
| O20 | C21 | C22 | H6 | 42.6° | 62.5° |
| O20 | C21 | C26 | H26 | 35.0° | 57.7° |
| O20 | C21 | C26 | H27 | 83.6° | 62.5° |
| C26 | C21 | C22 | H23 | 124.7° | 119.9° |
| C21 | C26 | C25 | H26 | 120.7° | 119.9° |
| C21 | C26 | C25 | H27 | 120.7° | 120.0° |
| C21 | C26 | C25 | N24 | 48.0° | 59.1° |
| C26 | C21 | C22 | C23 | 46.4° | 57.6° |
| C26 | C21 | C22 | H5 | 167.0° | 62.3° |
| C26 | C21 | C22 | H6 | 74.1° | 177.6° |
| C21 | C26 | C25 | H24 | 168.4° | 179.2° |
| C21 | C26 | C25 | H25 | 72.2° | 60.8° |
| C21 | C26 | H26 | H27 | 117.8° | 120.1° |
| C22 | C21 | C26 | C25 | 43.4° | 57.7° |
| C21 | C22 | C23 | H5 | 120.6° | 119.9° |
| C21 | C22 | C23 | H6 | 120.5° | 120.0° |
| C21 | C22 | C23 | N24 | 54.5° | 59.1° |
| C21 | C22 | H5 | H6 | 118.4° | 120.2° |
| C21 | C22 | C23 | H7 | 65.7° | 60.8° |
| C21 | C22 | C23 | H8 | 174.7° | 179.1° |
| C22 | C21 | C26 | H26 | 77.3° | 62.3° |
| C22 | C21 | C26 | H27 | 164.2° | 177.6° |
| C26 | C25 | N24 | H24 | 120.3° | 120.1° |
| C26 | C25 | N24 | H25 | 120.3° | 120.0° |
| C26 | C25 | N24 | C23 | 56.0° | 61.7° |
| C25 | C26 | C21 | H23 | 81.4° | 62.3° |
| C26 | C25 | H24 | H25 | 119.1° | 120.0° |
| C25 | C26 | H26 | H27 | 117.8° | 120.1° |
| C26 | C25 | N24 | H32 | 64.3° | 62.4° |
| S34 | C33 | C32 | H31 | 179.8° | 180.0° |
| C25 | N24 | C23 | C22 | 59.3° | 61.7° |
| C25 | N24 | C23 | H32 | 120.2° | 124.1° |
| C25 | N24 | C23 | H7 | 60.9° | 58.3° |
| C25 | N24 | C23 | H8 | 179.5° | 178.3° |
| N24 | C25 | H24 | H25 | 119.0° | 119.9° |
| N24 | C25 | C26 | H26 | 72.7° | 60.8° |
| N24 | C25 | C26 | H27 | 168.7° | 179.1° |
| C22 | C23 | N24 | H7 | 120.2° | 120.0° |
| C22 | C23 | N24 | H8 | 120.2° | 120.0° |
| C23 | C22 | H5 | H6 | 118.3° | 120.0° |
| C22 | C23 | H7 | H8 | 119.4° | 120.0° |
| C23 | C22 | C21 | H23 | 78.3° | 62.3° |
| C22 | C23 | N24 | H32 | 60.9° | 62.4° |
| N24 | C23 | C22 | H5 | 175.0° | 60.8° |
| N24 | C23 | C22 | H6 | 66.1° | 179.2° |
| N24 | C23 | H7 | H8 | 119.4° | 119.9° |
| C23 | N24 | C25 | H24 | 176.2° | 178.2° |
| C23 | N24 | C25 | H25 | 64.4° | 58.3° |
| H1 | C13 | C14 | H3 | 162.5° | 56.2° |
| H1 | C13 | C14 | H4 | 42.0° | 176.2° |
| H2 | C13 | C14 | H3 | 42.0° | 176.2° |
| H2 | C13 | C14 | H4 | 78.5° | 63.8° |
| H5 | C22 | C23 | H7 | 54.8° | 179.2° |
| H5 | C22 | C23 | H8 | 64.7° | 59.2° |
| H5 | C22 | C21 | H23 | 42.2° | 177.8° |
| H6 | C22 | C23 | H7 | 173.7° | 59.2° |
| H6 | C22 | C23 | H8 | 54.2° | 60.8° |
| H6 | C22 | C21 | H23 | 161.2° | 57.7° |
| H7 | C23 | N24 | H32 | 178.8° | 177.6° |
| H8 | C23 | N24 | H32 | 59.3° | 57.7° |
| H9 | C33 | C32 | H31 | 0.2° | 0.0° |
| H10 | C01 | H11 | H12 | 120.0° | 120.0° |
| H13 | C07 | C08 | H14 | 147.8° | 25.4° |
| H13 | C07 | C08 | H15 | 20.6° | 156.2° |
| H13 | C07 | C10 | H18 | 20.8° | 156.3° |
| H13 | C07 | C10 | H19 | 147.9° | 25.4° |
| H14 | C08 | C09 | H16 | 14.8° | 25.3° |
| H14 | C08 | C09 | H17 | 142.2° | 105.5° |
| H15 | C08 | C09 | H16 | 112.3° | 156.2° |
| H15 | C08 | C09 | H17 | 15.0° | 25.4° |
| H16 | C09 | C10 | H18 | 112.4° | 156.4° |
| H16 | C09 | C10 | H19 | 14.8° | 25.6° |
| H17 | C09 | C10 | H18 | 15.0° | 25.4° |
| H17 | C09 | C10 | H19 | 142.1° | 105.3° |
| H21 | C17 | C18 | H22 | 0.2° | 0.1° |
| H23 | C21 | C26 | H26 | 157.9° | 177.8° |
| H23 | C21 | C26 | H27 | 39.3° | 57.7° |
| H24 | C25 | C26 | H26 | 47.6° | 59.3° |
| H24 | C25 | C26 | H27 | 70.9° | 60.9° |
| H24 | C25 | N24 | H32 | 56.0° | 57.7° |
| H25 | C25 | C26 | H26 | 167.0° | 179.3° |
| H25 | C25 | C26 | H27 | 48.5° | 59.2° |
| H25 | C25 | N24 | H32 | 175.4° | 177.7° |
| H28 | C27 | C28 | H29 | 0.2° | 0.1° |
