Y4C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C10 | sing | 1.47Å | 1.49Å | |
| N2 | C11 | sing | 1.47Å | 1.49Å | |
| C3 | C4 | sing | 1.49Å | 1.54Å | |
| C3 | N6 | sing | 1.35Å | 1.40Å | |
| C3 | O12 | doub | 1.21Å | 1.22Å | |
| C4 | N14 | sing | 1.35Å | 1.39Å | |
| C4 | O13 | doub | 1.21Å | 1.23Å | |
| N6 | C19 | sing | 1.40Å | 1.44Å | |
| N9 | C15 | sing | 1.47Å | 1.51Å | |
| N9 | C29 | sing | 1.47Å | 1.51Å | |
| N9 | C16 | sing | 1.47Å | 1.51Å | |
| C10 | C16 | sing | 1.53Å | 1.57Å | |
| C11 | C15 | sing | 1.53Å | 1.57Å | |
| N14 | C26 | sing | 1.47Å | 1.49Å | |
| C19 | C24 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C30 | sing | 1.51Å | 1.50Å | |
| C23 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C29 | sing | 1.53Å | 1.56Å | |
| C30 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C10 | H36 | sing | 1.09Å | 1.10Å | |
| C10 | H37 | sing | 1.09Å | 1.10Å | |
| C11 | H39 | sing | 1.09Å | 1.10Å | |
| C11 | H38 | sing | 1.09Å | 1.10Å | |
| C15 | H41 | sing | 1.09Å | 1.10Å | |
| C15 | H42 | sing | 1.09Å | 1.10Å | |
| C16 | H44 | sing | 1.09Å | 1.10Å | |
| C16 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H49 | sing | 1.08Å | 1.08Å | |
| C25 | H50 | sing | 1.08Å | 1.08Å | |
| C26 | H52 | sing | 1.09Å | 1.10Å | |
| C26 | H51 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.08Å | 1.08Å | |
| C28 | H54 | sing | 1.08Å | 1.08Å | |
| N6 | H35 | sing | 0.97Å | 1.00Å | |
| N14 | H40 | sing | 0.97Å | 1.00Å | |
| C29 | H56 | sing | 1.09Å | 1.10Å | |
| C29 | H55 | sing | 1.09Å | 1.10Å | |
| C30 | H58 | sing | 1.09Å | 1.10Å | |
| C30 | H57 | sing | 1.09Å | 1.10Å | |
| C32 | H62 | sing | 1.09Å | 1.10Å | |
| C32 | H63 | sing | 1.09Å | 1.10Å | |
| C33 | H65 | sing | 1.09Å | 1.10Å | |
| C33 | H64 | sing | 1.09Å | 1.10Å | |
| C34 | H68 | sing | 1.09Å | 1.10Å | |
| C34 | H66 | sing | 1.09Å | 1.10Å | |
| C34 | H67 | sing | 1.09Å | 1.10Å | |
| N2 | S1 | sing | 1.66Å | 49.75Å | |
| S1 | C2 | sing | 1.76Å | 0.00Å | |
| C2 | C5 | sing | 1.38Å | 0.00Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 0.00Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 0.00Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 0.00Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 0.00Å | Aromatic |
| C9 | C2 | doub | 1.38Å | 0.00Å | Aromatic |
| C7 | C12 | sing | 1.51Å | 0.00Å | |
| S1 | O2 | doub | 1.42Å | 0.00Å | |
| S1 | O1 | doub | 1.42Å | 0.00Å | |
| C5 | H1 | sing | 1.08Å | 0.00Å | |
| C6 | H2 | sing | 1.08Å | 0.00Å | |
| C8 | H3 | sing | 1.08Å | 0.00Å | |
| C9 | H4 | sing | 1.08Å | 0.00Å | |
| C12 | H5 | sing | 1.09Å | 0.00Å | |
| C12 | H6 | sing | 1.09Å | 0.00Å | |
| C12 | H7 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N2 | C11 | 112.2° | 118.2° |
| N2 | C10 | C16 | 112.2° | 108.5° |
| N2 | C10 | H36 | 108.8° | 109.6° |
| N2 | C10 | H37 | 108.8° | 109.8° |
| C10 | N2 | S1 | 105.3° | 120.9° |
| N2 | C11 | C15 | 109.9° | 108.5° |
| N2 | C11 | H39 | 109.4° | 109.6° |
| N2 | C11 | H38 | 109.4° | 109.8° |
| C11 | N2 | S1 | 85.0° | 120.9° |
| C4 | C3 | N6 | 116.6° | 120.0° |
| C4 | C3 | O12 | 119.5° | 120.0° |
| C3 | C4 | N14 | 115.1° | 120.0° |
| C3 | C4 | O13 | 121.0° | 120.0° |
| N6 | C3 | O12 | 123.9° | 120.0° |
| C3 | N6 | C19 | 123.4° | 120.0° |
| C3 | N6 | H35 | 118.3° | 119.9° |
| N14 | C4 | O13 | 123.9° | 120.0° |
| C4 | N14 | C26 | 120.7° | 120.0° |
| C4 | N14 | H40 | 119.7° | 120.0° |
| N6 | C19 | C24 | 118.0° | 120.1° |
| N6 | C19 | C25 | 121.6° | 120.0° |
| C19 | N6 | H35 | 118.3° | 120.0° |
| C15 | N9 | C29 | 110.5° | 111.0° |
| C15 | N9 | C16 | 109.4° | 111.3° |
| N9 | C15 | C11 | 108.9° | 109.3° |
| N9 | C15 | H41 | 109.6° | 109.4° |
| N9 | C15 | H42 | 109.6° | 109.5° |
| C29 | N9 | C16 | 111.9° | 111.0° |
| N9 | C29 | C26 | 110.0° | 109.5° |
| N9 | C29 | H56 | 109.3° | 109.5° |
| N9 | C29 | H55 | 109.3° | 109.5° |
| N9 | C16 | C10 | 108.6° | 109.3° |
| N9 | C16 | H44 | 109.7° | 109.5° |
| N9 | C16 | H43 | 109.7° | 109.6° |
| C16 | C10 | H36 | 108.8° | 109.6° |
| C16 | C10 | H37 | 108.8° | 109.6° |
| C10 | C16 | H44 | 109.7° | 109.5° |
| C10 | C16 | H43 | 109.7° | 109.5° |
| C15 | C11 | H39 | 109.4° | 109.6° |
| C15 | C11 | H38 | 109.4° | 109.7° |
| C11 | C15 | H41 | 109.6° | 109.5° |
| C11 | C15 | H42 | 109.6° | 109.5° |
| N14 | C26 | C29 | 113.3° | 109.5° |
| N14 | C26 | H52 | 108.5° | 109.5° |
| N14 | C26 | H51 | 108.5° | 109.4° |
| C26 | N14 | H40 | 119.6° | 120.0° |
| C24 | C19 | C25 | 120.4° | 119.9° |
| C19 | C24 | C27 | 119.2° | 119.9° |
| C19 | C24 | H49 | 120.4° | 120.1° |
| C19 | C25 | C28 | 119.6° | 119.9° |
| C19 | C25 | H50 | 120.2° | 120.1° |
| C28 | C23 | C30 | 118.6° | 120.0° |
| C28 | C23 | C27 | 120.1° | 120.2° |
| C23 | C28 | C25 | 120.3° | 120.1° |
| C23 | C28 | H54 | 119.8° | 120.0° |
| C30 | C23 | C27 | 121.2° | 119.9° |
| C23 | C30 | C32 | 110.2° | 109.4° |
| C23 | C30 | H58 | 109.3° | 109.5° |
| C23 | C30 | H57 | 109.3° | 109.5° |
| C23 | C27 | C24 | 120.4° | 120.0° |
| C23 | C27 | H53 | 119.8° | 120.0° |
| C27 | C24 | H49 | 120.4° | 120.0° |
| C24 | C27 | H53 | 119.8° | 119.9° |
| C28 | C25 | H50 | 120.2° | 120.0° |
| C25 | C28 | H54 | 119.9° | 119.9° |
| C29 | C26 | H52 | 108.5° | 109.5° |
| C29 | C26 | H51 | 108.5° | 109.5° |
| C26 | C29 | H56 | 109.3° | 109.5° |
| C26 | C29 | H55 | 109.4° | 109.4° |
| C30 | C32 | C33 | 110.0° | 109.5° |
| C32 | C30 | H58 | 109.3° | 109.5° |
| C32 | C30 | H57 | 109.3° | 109.5° |
| C30 | C32 | H62 | 109.3° | 109.4° |
| C30 | C32 | H63 | 109.3° | 109.5° |
| C32 | C33 | C34 | 108.8° | 109.5° |
| C33 | C32 | H62 | 109.4° | 109.5° |
| C33 | C32 | H63 | 109.3° | 109.5° |
| C32 | C33 | H65 | 109.6° | 109.5° |
| C32 | C33 | H64 | 109.7° | 109.5° |
| C34 | C33 | H65 | 109.6° | 109.5° |
| C34 | C33 | H64 | 109.6° | 109.5° |
| C33 | C34 | H68 | 109.5° | 109.5° |
| C33 | C34 | H66 | 109.5° | 109.5° |
| C33 | C34 | H67 | 109.4° | 109.5° |
| H36 | C10 | H37 | 109.5° | 109.6° |
| H39 | C11 | H38 | 109.4° | 109.6° |
| H41 | C15 | H42 | 109.5° | 109.6° |
| H44 | C16 | H43 | 109.5° | 109.5° |
| H52 | C26 | H51 | 109.5° | 109.4° |
| H56 | C29 | H55 | 109.4° | 109.5° |
| H58 | C30 | H57 | 109.5° | 109.5° |
| H62 | C32 | H63 | 109.5° | 109.5° |
| H65 | C33 | H64 | 109.5° | 109.5° |
| H68 | C34 | H66 | 109.5° | 109.4° |
| H68 | C34 | H67 | 109.4° | 109.5° |
| H66 | C34 | H67 | 109.5° | 109.5° |
| N2 | S1 | C2 | 90.0° | 107.2° |
| N2 | S1 | O2 | 90.0° | 106.4° |
| N2 | S1 | O1 | 90.0° | 106.4° |
| S1 | C2 | C5 | 90.0° | 120.0° |
| S1 | C2 | C9 | 90.0° | 120.0° |
| C2 | S1 | O2 | 90.0° | 106.4° |
| C2 | S1 | O1 | 90.0° | 106.4° |
| C2 | C5 | C6 | 90.0° | 120.0° |
| C5 | C2 | C9 | 90.0° | 120.0° |
| C2 | C5 | H1 | 90.0° | 119.9° |
| C5 | C6 | C7 | 90.0° | 120.0° |
| C6 | C5 | H1 | 90.0° | 120.1° |
| C5 | C6 | H2 | 90.0° | 120.0° |
| C6 | C7 | C8 | 90.0° | 120.0° |
| C6 | C7 | C12 | 90.0° | 120.0° |
| C7 | C6 | H2 | 90.0° | 120.0° |
| C7 | C8 | C9 | 90.0° | 120.0° |
| C8 | C7 | C12 | 90.0° | 120.0° |
| C7 | C8 | H3 | 90.0° | 120.0° |
| C8 | C9 | C2 | 90.0° | 120.0° |
| C9 | C8 | H3 | 90.0° | 119.9° |
| C8 | C9 | H4 | 90.0° | 120.0° |
| C2 | C9 | H4 | 90.0° | 120.0° |
| C7 | C12 | H5 | 90.0° | 109.4° |
| C7 | C12 | H6 | 90.0° | 109.5° |
| C7 | C12 | H7 | 90.0° | 109.5° |
| O2 | S1 | O1 | 90.0° | 123.1° |
| H5 | C12 | H6 | 90.0° | 109.4° |
| H5 | C12 | H7 | 90.0° | 109.5° |
| H6 | C12 | H7 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N2 | C11 | S1 | 104.5° | 180.0° |
| N2 | C10 | C16 | N9 | 55.8° | 53.8° |
| N2 | C10 | C16 | H36 | 120.4° | 119.7° |
| N2 | C10 | C16 | H37 | 120.4° | 119.9° |
| C10 | N2 | C11 | C15 | 55.3° | 51.2° |
| N2 | C10 | H36 | H37 | 118.7° | 120.6° |
| C10 | N2 | C11 | H39 | 64.8° | 170.9° |
| C10 | N2 | C11 | H38 | 175.4° | 68.7° |
| N2 | C10 | C16 | H44 | 175.7° | 66.1° |
| N2 | C10 | C16 | H43 | 64.1° | 173.8° |
| C10 | N2 | S1 | C2 | 90.0° | 90.0° |
| C10 | N2 | S1 | O2 | 90.0° | 156.5° |
| C10 | N2 | S1 | O1 | 90.0° | 23.6° |
| N2 | C11 | C15 | N9 | 59.5° | 53.9° |
| C11 | N2 | C10 | C16 | 54.2° | 51.2° |
| N2 | C11 | C15 | H39 | 120.1° | 119.6° |
| N2 | C11 | C15 | H38 | 120.1° | 120.0° |
| C11 | N2 | C10 | H36 | 174.6° | 68.5° |
| C11 | N2 | C10 | H37 | 66.2° | 171.0° |
| N2 | C11 | H39 | H38 | 119.8° | 120.6° |
| N2 | C11 | C15 | H41 | 60.4° | 173.8° |
| N2 | C11 | C15 | H42 | 179.4° | 66.1° |
| C11 | N2 | S1 | C2 | 90.0° | 90.0° |
| C11 | N2 | S1 | O2 | 90.0° | 23.5° |
| C11 | N2 | S1 | O1 | 90.0° | 156.4° |
| C4 | C3 | N6 | O12 | 179.5° | 180.0° |
| C3 | C4 | N14 | O13 | 179.3° | 179.9° |
| C4 | C3 | N6 | C19 | 179.5° | 175.4° |
| C3 | C4 | N14 | C26 | 179.9° | 180.0° |
| C4 | C3 | N6 | H35 | 0.4° | 4.6° |
| C3 | C4 | N14 | H40 | 0.1° | 0.0° |
| N6 | C3 | C4 | N14 | 170.1° | 180.0° |
| N6 | C3 | C4 | O13 | 10.6° | 0.1° |
| C3 | N6 | C19 | H35 | 180.0° | 180.0° |
| C3 | N6 | C19 | C24 | 135.5° | 144.9° |
| C3 | N6 | C19 | C25 | 42.5° | 35.3° |
| O12 | C3 | C4 | N14 | 9.5° | 0.0° |
| O12 | C3 | C4 | O13 | 169.8° | 179.9° |
| O12 | C3 | N6 | C19 | 0.9° | 4.6° |
| O12 | C3 | N6 | H35 | 179.1° | 175.4° |
| C4 | N14 | C26 | H40 | 180.0° | 180.0° |
| C4 | N14 | C26 | C29 | 147.3° | 180.0° |
| C4 | N14 | C26 | H52 | 26.8° | 60.0° |
| C4 | N14 | C26 | H51 | 92.1° | 60.0° |
| O13 | C4 | N14 | C26 | 0.8° | 0.1° |
| O13 | C4 | N14 | H40 | 179.2° | 180.0° |
| N6 | C19 | C24 | C25 | 178.1° | 179.8° |
| N6 | C19 | C24 | C27 | 176.9° | 179.7° |
| N6 | C19 | C25 | C28 | 176.8° | 179.8° |
| N6 | C19 | C24 | H49 | 3.1° | 0.2° |
| N6 | C19 | C25 | H50 | 3.2° | 0.2° |
| C15 | N9 | C29 | C16 | 122.1° | 124.3° |
| C15 | N9 | C16 | C10 | 60.2° | 63.1° |
| N9 | C15 | C11 | H41 | 119.9° | 119.9° |
| N9 | C15 | C11 | H42 | 119.9° | 120.0° |
| C15 | N9 | C29 | C26 | 139.2° | 170.0° |
| N9 | C15 | C11 | H39 | 60.6° | 173.5° |
| N9 | C15 | C11 | H38 | 179.6° | 66.1° |
| N9 | C15 | H41 | H42 | 120.3° | 120.1° |
| C15 | N9 | C16 | H44 | 179.9° | 56.8° |
| C15 | N9 | C16 | H43 | 59.6° | 176.9° |
| C15 | N9 | C29 | H56 | 19.1° | 70.0° |
| C15 | N9 | C29 | H55 | 100.7° | 50.1° |
| C29 | N9 | C16 | C10 | 177.0° | 172.8° |
| C29 | N9 | C15 | C11 | 173.6° | 172.7° |
| N9 | C29 | C26 | N14 | 54.1° | 180.0° |
| N9 | C29 | C26 | H56 | 120.1° | 120.0° |
| N9 | C29 | C26 | H55 | 120.1° | 120.0° |
| C29 | N9 | C15 | H41 | 66.5° | 52.8° |
| C29 | N9 | C15 | H42 | 53.7° | 67.3° |
| C29 | N9 | C16 | H44 | 57.2° | 67.3° |
| C29 | N9 | C16 | H43 | 63.1° | 52.8° |
| N9 | C29 | C26 | H52 | 66.5° | 60.0° |
| N9 | C29 | C26 | H51 | 174.7° | 60.0° |
| N9 | C29 | H56 | H55 | 119.7° | 120.0° |
| N9 | C16 | C10 | H44 | 119.9° | 119.9° |
| N9 | C16 | C10 | H43 | 119.8° | 120.0° |
| C16 | N9 | C15 | C11 | 62.9° | 63.1° |
| C16 | N9 | C29 | C26 | 98.7° | 65.7° |
| N9 | C16 | C10 | H36 | 176.2° | 65.9° |
| N9 | C16 | C10 | H37 | 64.6° | 173.7° |
| C16 | N9 | C15 | H41 | 57.0° | 177.0° |
| C16 | N9 | C15 | H42 | 177.2° | 56.8° |
| N9 | C16 | H44 | H43 | 120.4° | 120.1° |
| C16 | N9 | C29 | H56 | 141.2° | 54.3° |
| C16 | N9 | C29 | H55 | 21.4° | 174.4° |
| C16 | C10 | H36 | H37 | 118.8° | 120.4° |
| C10 | C16 | H44 | H43 | 120.4° | 120.0° |
| C16 | C10 | N2 | S1 | 145.0° | 128.8° |
| C15 | C11 | H39 | H38 | 119.8° | 120.4° |
| C11 | C15 | H41 | H42 | 120.3° | 120.1° |
| C15 | C11 | N2 | S1 | 159.9° | 128.8° |
| N14 | C26 | C29 | H52 | 120.6° | 120.0° |
| N14 | C26 | C29 | H51 | 120.6° | 120.0° |
| N14 | C26 | H52 | H51 | 118.3° | 119.9° |
| N14 | C26 | C29 | H56 | 66.0° | 60.0° |
| N14 | C26 | C29 | H55 | 174.2° | 60.0° |
| C19 | C24 | C27 | C23 | 0.0° | 0.1° |
| C19 | C24 | C27 | H49 | 180.0° | 180.0° |
| C24 | C19 | C25 | C28 | 1.2° | 0.0° |
| C24 | C19 | C25 | H50 | 178.8° | 180.0° |
| C19 | C24 | C27 | H53 | 180.0° | 179.9° |
| C24 | C19 | N6 | H35 | 44.4° | 35.1° |
| C19 | C25 | C28 | C23 | 0.0° | 0.0° |
| C25 | C19 | C24 | C27 | 1.2° | 0.1° |
| C19 | C25 | C28 | H50 | 180.0° | 180.0° |
| C25 | C19 | C24 | H49 | 178.8° | 180.0° |
| C19 | C25 | C28 | H54 | 180.0° | 180.0° |
| C25 | C19 | N6 | H35 | 137.5° | 144.7° |
| C28 | C23 | C30 | C27 | 177.2° | 180.0° |
| C28 | C23 | C27 | C24 | 1.2° | 0.0° |
| C23 | C28 | C25 | H54 | 180.0° | 179.9° |
| C28 | C23 | C30 | C32 | 128.6° | 90.0° |
| C23 | C28 | C25 | H50 | 180.0° | 180.0° |
| C28 | C23 | C27 | H53 | 178.8° | 180.0° |
| C28 | C23 | C30 | H58 | 8.5° | 150.0° |
| C28 | C23 | C30 | H57 | 111.3° | 30.0° |
| C30 | C23 | C27 | C24 | 176.0° | 180.0° |
| C30 | C23 | C28 | C25 | 176.1° | 180.0° |
| C23 | C30 | C32 | H58 | 120.1° | 120.0° |
| C23 | C30 | C32 | H57 | 120.1° | 120.0° |
| C23 | C30 | C32 | C33 | 156.9° | 180.0° |
| C30 | C23 | C27 | H53 | 4.0° | 0.0° |
| C30 | C23 | C28 | H54 | 3.9° | 0.0° |
| C23 | C30 | H58 | H57 | 119.7° | 120.0° |
| C23 | C30 | C32 | H62 | 83.0° | 60.0° |
| C23 | C30 | C32 | H63 | 36.8° | 60.0° |
| C23 | C27 | C24 | H53 | 180.0° | 180.0° |
| C27 | C23 | C28 | C25 | 1.2° | 0.0° |
| C27 | C23 | C30 | C32 | 54.2° | 90.0° |
| C23 | C27 | C24 | H49 | 180.0° | 180.0° |
| C27 | C23 | C28 | H54 | 178.8° | 180.0° |
| C27 | C23 | C30 | H58 | 174.3° | 30.0° |
| C27 | C23 | C30 | H57 | 65.9° | 150.0° |
| C29 | C26 | H52 | H51 | 118.2° | 120.0° |
| C29 | C26 | N14 | H40 | 32.7° | 0.0° |
| C26 | C29 | H56 | H55 | 119.8° | 120.0° |
| C30 | C32 | C33 | H62 | 120.1° | 120.0° |
| C30 | C32 | C33 | H63 | 120.1° | 120.0° |
| C30 | C32 | C33 | C34 | 132.1° | 180.0° |
| C32 | C30 | H58 | H57 | 119.6° | 120.0° |
| C30 | C32 | H62 | H63 | 119.7° | 120.0° |
| C30 | C32 | C33 | H65 | 12.3° | 60.0° |
| C30 | C32 | C33 | H64 | 108.0° | 60.0° |
| C32 | C33 | C34 | H65 | 119.9° | 120.0° |
| C32 | C33 | C34 | H64 | 119.9° | 120.0° |
| C33 | C32 | C30 | H58 | 36.8° | 60.0° |
| C33 | C32 | C30 | H57 | 83.0° | 60.0° |
| C33 | C32 | H62 | H63 | 119.7° | 120.0° |
| C32 | C33 | H65 | H64 | 120.4° | 120.0° |
| C32 | C33 | C34 | H68 | 180.0° | 180.0° |
| C32 | C33 | C34 | H66 | 60.0° | 60.0° |
| C32 | C33 | C34 | H67 | 60.0° | 60.0° |
| C34 | C33 | C32 | H62 | 107.8° | 60.0° |
| C34 | C33 | C32 | H63 | 12.1° | 60.0° |
| C34 | C33 | H65 | H64 | 120.3° | 120.0° |
| C33 | C34 | H68 | H66 | 120.0° | 120.0° |
| C33 | C34 | H68 | H67 | 120.0° | 120.0° |
| C33 | C34 | H66 | H67 | 120.0° | 120.0° |
| H36 | C10 | C16 | H44 | 63.9° | 174.2° |
| H36 | C10 | C16 | H43 | 56.3° | 54.1° |
| H36 | C10 | N2 | S1 | 94.5° | 111.5° |
| H37 | C10 | C16 | H44 | 55.3° | 53.8° |
| H37 | C10 | C16 | H43 | 175.6° | 66.2° |
| H37 | C10 | N2 | S1 | 24.6° | 9.0° |
| H39 | C11 | C15 | H41 | 179.5° | 66.6° |
| H39 | C11 | C15 | H42 | 59.3° | 53.5° |
| H39 | C11 | N2 | S1 | 39.7° | 9.2° |
| H38 | C11 | C15 | H41 | 59.7° | 53.8° |
| H38 | C11 | C15 | H42 | 60.5° | 173.9° |
| H38 | C11 | N2 | S1 | 80.1° | 111.3° |
| H49 | C24 | C27 | H53 | 0.0° | 0.0° |
| H50 | C25 | C28 | H54 | 0.0° | 0.0° |
| H52 | C26 | N14 | H40 | 153.2° | 120.0° |
| H52 | C26 | C29 | H56 | 173.4° | 180.0° |
| H52 | C26 | C29 | H55 | 53.6° | 60.0° |
| H51 | C26 | N14 | H40 | 87.9° | 120.0° |
| H51 | C26 | C29 | H56 | 54.6° | 60.0° |
| H51 | C26 | C29 | H55 | 65.2° | 180.0° |
| H58 | C30 | C32 | H62 | 156.9° | 180.0° |
| H58 | C30 | C32 | H63 | 83.3° | 60.0° |
| H57 | C30 | C32 | H62 | 37.1° | 60.0° |
| H57 | C30 | C32 | H63 | 157.0° | 180.0° |
| H62 | C32 | C33 | H65 | 132.4° | 180.0° |
| H62 | C32 | C33 | H64 | 12.1° | 60.0° |
| H63 | C32 | C33 | H65 | 107.8° | 60.0° |
| H63 | C32 | C33 | H64 | 132.0° | 180.0° |
| H65 | C33 | C34 | H68 | 60.1° | 60.0° |
| H65 | C33 | C34 | H66 | 179.8° | NaN° |
| H65 | C33 | C34 | H67 | 59.9° | 60.0° |
| H64 | C33 | C34 | H68 | 60.1° | 60.0° |
| H64 | C33 | C34 | H66 | 59.9° | 60.0° |
| H64 | C33 | C34 | H67 | 179.9° | NaN° |
| H68 | C34 | H66 | H67 | 120.0° | 120.0° |
| N2 | S1 | C2 | O2 | 90.0° | 113.5° |
| N2 | S1 | C2 | O1 | 90.0° | 113.6° |
| N2 | S1 | C2 | C5 | 90.0° | 89.9° |
| N2 | S1 | C2 | C9 | 90.0° | 90.3° |
| N2 | S1 | O2 | O1 | 90.0° | 122.9° |
| S1 | C2 | C5 | C9 | 90.0° | 179.8° |
| S1 | C2 | C5 | C6 | 90.0° | 180.0° |
| S1 | C2 | C9 | C8 | 90.0° | 179.8° |
| C2 | S1 | O2 | O1 | 90.0° | 122.9° |
| S1 | C2 | C5 | H1 | 90.0° | 0.0° |
| S1 | C2 | C9 | H4 | 90.0° | 0.2° |
| C2 | C5 | C6 | H1 | 90.0° | 179.9° |
| C2 | C5 | C6 | C7 | 90.0° | 0.1° |
| C5 | C2 | C9 | C8 | 90.0° | 0.4° |
| C5 | C2 | S1 | O2 | 90.0° | 23.6° |
| C5 | C2 | S1 | O1 | 90.0° | 156.5° |
| C2 | C5 | C6 | H2 | 90.0° | 179.9° |
| C5 | C2 | C9 | H4 | 90.0° | 180.0° |
| C5 | C6 | C7 | H2 | 90.0° | 179.9° |
| C5 | C6 | C7 | C8 | 90.0° | 0.0° |
| C6 | C5 | C2 | C9 | 90.0° | 0.2° |
| C5 | C6 | C7 | C12 | 90.0° | 179.9° |
| C6 | C7 | C8 | C12 | 90.0° | 179.9° |
| C6 | C7 | C8 | C9 | 90.0° | 0.2° |
| C7 | C6 | C5 | H1 | 90.0° | 180.0° |
| C6 | C7 | C8 | H3 | 90.0° | 180.0° |
| C6 | C7 | C12 | H5 | 90.0° | 90.1° |
| C6 | C7 | C12 | H6 | 90.0° | 150.0° |
| C6 | C7 | C12 | H7 | 90.0° | 30.0° |
| C7 | C8 | C9 | H3 | 90.0° | 179.8° |
| C7 | C8 | C9 | C2 | 90.0° | 0.5° |
| C8 | C7 | C6 | H2 | 90.0° | 179.9° |
| C7 | C8 | C9 | H4 | 90.0° | 180.0° |
| C8 | C7 | C12 | H5 | 90.0° | 90.0° |
| C8 | C7 | C12 | H6 | 90.0° | 29.9° |
| C8 | C7 | C12 | H7 | 90.0° | 150.0° |
| C8 | C9 | C2 | H4 | 90.0° | 179.5° |
| C9 | C8 | C7 | C12 | 90.0° | 179.9° |
| C9 | C2 | S1 | O2 | 90.0° | 156.2° |
| C9 | C2 | S1 | O1 | 90.0° | 23.3° |
| C9 | C2 | C5 | H1 | 90.0° | 179.7° |
| C2 | C9 | C8 | H3 | 90.0° | 179.7° |
| C12 | C7 | C6 | H2 | 90.0° | 0.0° |
| C12 | C7 | C8 | H3 | 90.0° | 0.1° |
| C7 | C12 | H5 | H6 | 90.0° | 120.0° |
| C7 | C12 | H5 | H7 | 90.0° | 120.0° |
| C7 | C12 | H6 | H7 | 90.0° | 120.1° |
| H1 | C5 | C6 | H2 | 90.0° | 0.1° |
| H3 | C8 | C9 | H4 | 90.0° | 0.2° |
| H5 | C12 | H6 | H7 | 90.0° | 120.0° |
