Y8Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C24 | C30 | sing | 1.52Å | 1.53Å | |
| C24 | C23 | sing | 1.52Å | 1.55Å | |
| C30 | C29 | sing | 1.52Å | 1.53Å | |
| C26 | C28 | sing | 1.52Å | 1.54Å | |
| C26 | C27 | sing | 1.52Å | 1.55Å | |
| C29 | C28 | sing | 1.52Å | 1.55Å | |
| C23 | C22 | sing | 1.52Å | 1.56Å | |
| C27 | C22 | sing | 1.52Å | 1.56Å | |
| C22 | C21 | sing | 1.54Å | 1.56Å | |
| C21 | O20 | sing | 1.45Å | 1.39Å | |
| O20 | C19 | sing | 1.35Å | 1.37Å | |
| C19 | N18 | sing | 1.35Å | 1.40Å | |
| C19 | O31 | doub | 1.21Å | 1.22Å | |
| C04 | C05 | sing | 1.55Å | 1.58Å | |
| C04 | N03 | sing | 1.47Å | 1.47Å | |
| N18 | C13 | sing | 1.46Å | 1.47Å | |
| C05 | C06 | sing | 1.55Å | 1.53Å | |
| N03 | C02 | sing | 1.34Å | 1.40Å | |
| O32 | C12 | doub | 1.21Å | 1.23Å | |
| C06 | C02 | sing | 1.51Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.57Å | |
| C02 | O01 | doub | 1.21Å | 1.23Å | |
| C13 | C12 | sing | 1.51Å | 1.57Å | |
| C13 | C14 | sing | 1.53Å | 1.58Å | |
| C12 | N11 | sing | 1.35Å | 1.39Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | C17 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| N11 | C08 | sing | 1.47Å | 1.46Å | |
| C07 | C08 | sing | 1.53Å | 1.57Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| O10 | C09 | sing | 1.43Å | 1.40Å | |
| N11 | H1 | sing | 0.97Å | 1.00Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.10Å | 1.10Å | |
| C23 | H9 | sing | 1.10Å | 1.10Å | |
| C24 | H10 | sing | 1.10Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.10Å | 1.10Å | |
| C27 | H14 | sing | 1.10Å | 1.10Å | |
| C27 | H15 | sing | 1.10Å | 1.10Å | |
| C28 | H16 | sing | 1.10Å | 1.10Å | |
| C28 | H17 | sing | 1.10Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.11Å | 1.10Å | |
| C04 | H20 | sing | 1.09Å | 1.10Å | |
| C05 | H21 | sing | 1.09Å | 1.10Å | |
| C05 | H22 | sing | 1.09Å | 1.10Å | |
| C06 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C07 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.09Å | 1.10Å | |
| C09 | S1 | sing | 1.81Å | 1.07Å | |
| C09 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.10Å | 1.10Å | |
| C30 | H37 | sing | 1.10Å | 1.10Å | |
| N18 | H38 | sing | 0.97Å | 1.00Å | |
| O10 | H39 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 19.79Å | |
| S1 | O2 | doub | 1.42Å | 19.79Å | |
| S1 | O3 | sing | 1.52Å | 19.79Å | |
| C04 | H27 | sing | 1.09Å | 1.10Å | |
| N03 | H40 | sing | 0.97Å | 1.00Å | |
| O3 | H41 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | C26 | 109.7° | 108.1° |
| C25 | C24 | C30 | 109.5° | 110.3° |
| C25 | C24 | C23 | 111.3° | 110.1° |
| C25 | C24 | H10 | 108.8° | 107.9° |
| C24 | C25 | H11 | 109.4° | 109.7° |
| C24 | C25 | H12 | 109.4° | 109.8° |
| C25 | C26 | C28 | 108.5° | 109.9° |
| C25 | C26 | C27 | 112.5° | 110.4° |
| C26 | C25 | H11 | 109.4° | 109.7° |
| C26 | C25 | H12 | 109.4° | 109.7° |
| C25 | C26 | H13 | 108.7° | 107.8° |
| C30 | C24 | C23 | 110.4° | 111.9° |
| C24 | C30 | C29 | 113.3° | 113.1° |
| C30 | C24 | H10 | 108.5° | 108.3° |
| C24 | C30 | H36 | 108.5° | 109.0° |
| C24 | C30 | H37 | 108.5° | 109.1° |
| C24 | C23 | C22 | 116.2° | 112.9° |
| C24 | C23 | H8 | 107.8° | 109.0° |
| C24 | C23 | H9 | 107.7° | 109.0° |
| C23 | C24 | H10 | 108.3° | 108.3° |
| C30 | C29 | C28 | 116.8° | 113.0° |
| C30 | C29 | H18 | 107.6° | 111.2° |
| C30 | C29 | H19 | 107.6° | 107.7° |
| C29 | C30 | H36 | 108.5° | 109.1° |
| C29 | C30 | H37 | 108.5° | 109.1° |
| C28 | C26 | C27 | 110.3° | 112.1° |
| C26 | C28 | C29 | 115.6° | 112.6° |
| C28 | C26 | H13 | 108.4° | 108.2° |
| C26 | C28 | H16 | 107.9° | 109.1° |
| C26 | C28 | H17 | 107.9° | 109.0° |
| C26 | C27 | C22 | 112.7° | 113.3° |
| C27 | C26 | H13 | 108.3° | 108.3° |
| C26 | C27 | H14 | 108.6° | 109.1° |
| C26 | C27 | H15 | 108.7° | 109.0° |
| C29 | C28 | H16 | 107.9° | 109.2° |
| C29 | C28 | H17 | 107.9° | 109.2° |
| C28 | C29 | H18 | 107.6° | 111.1° |
| C28 | C29 | H19 | 107.6° | 107.6° |
| C23 | C22 | C27 | 106.2° | 113.0° |
| C23 | C22 | C21 | 114.1° | 108.2° |
| C22 | C23 | H8 | 107.8° | 109.1° |
| C22 | C23 | H9 | 107.8° | 109.2° |
| C23 | C22 | H35 | 107.1° | 110.2° |
| C27 | C22 | C21 | 114.7° | 108.2° |
| C22 | C27 | H14 | 108.7° | 109.0° |
| C22 | C27 | H15 | 108.6° | 109.0° |
| C27 | C22 | H35 | 107.2° | 110.3° |
| C22 | C21 | O20 | 112.6° | 109.4° |
| C22 | C21 | H33 | 108.7° | 109.4° |
| C22 | C21 | H34 | 108.7° | 109.4° |
| C21 | C22 | H35 | 107.1° | 106.7° |
| C21 | O20 | C19 | 124.7° | 117.0° |
| O20 | C21 | H33 | 108.7° | 109.5° |
| O20 | C21 | H34 | 108.7° | 109.5° |
| O20 | C19 | N18 | 119.2° | 120.0° |
| O20 | C19 | O31 | 119.7° | 120.0° |
| N18 | C19 | O31 | 121.1° | 120.0° |
| C19 | N18 | C13 | 121.1° | 120.0° |
| C19 | N18 | H38 | 119.5° | 120.0° |
| C05 | C04 | N03 | 104.9° | 105.5° |
| C04 | C05 | C06 | 109.2° | 101.8° |
| C05 | C04 | H20 | 110.6° | 110.3° |
| C04 | C05 | H21 | 109.6° | 111.0° |
| C04 | C05 | H22 | 109.6° | 111.0° |
| C05 | C04 | H27 | 110.6° | 110.3° |
| C04 | N03 | C02 | 110.2° | 111.3° |
| N03 | C04 | H20 | 110.6° | 110.2° |
| N03 | C04 | H27 | 110.6° | 110.2° |
| C04 | N03 | H40 | 124.9° | 124.3° |
| N18 | C13 | C12 | 112.0° | 109.5° |
| N18 | C13 | C14 | 110.2° | 109.4° |
| N18 | C13 | H29 | 109.0° | 109.5° |
| C13 | N18 | H38 | 119.5° | 120.0° |
| C05 | C06 | C02 | 101.4° | 104.2° |
| C05 | C06 | C07 | 110.7° | 110.5° |
| C06 | C05 | H21 | 109.5° | 111.0° |
| C06 | C05 | H22 | 109.5° | 110.9° |
| C05 | C06 | H23 | 109.7° | 110.5° |
| N03 | C02 | C06 | 114.1° | 110.2° |
| N03 | C02 | O01 | 121.0° | 125.0° |
| C02 | N03 | H40 | 124.9° | 124.4° |
| O32 | C12 | C13 | 118.0° | 120.0° |
| O32 | C12 | N11 | 119.5° | 120.0° |
| C02 | C06 | C07 | 115.9° | 110.5° |
| C06 | C02 | O01 | 124.9° | 124.9° |
| C02 | C06 | H23 | 109.7° | 110.5° |
| C06 | C07 | C08 | 113.7° | 109.5° |
| C07 | C06 | H23 | 109.2° | 110.6° |
| C06 | C07 | H24 | 108.4° | 109.5° |
| C06 | C07 | H25 | 108.4° | 109.5° |
| C12 | C13 | C14 | 110.1° | 109.4° |
| C13 | C12 | N11 | 122.5° | 120.0° |
| C12 | C13 | H29 | 107.8° | 109.5° |
| C13 | C14 | C15 | 113.4° | 109.5° |
| C13 | C14 | H2 | 108.5° | 109.5° |
| C13 | C14 | H3 | 108.5° | 109.5° |
| C14 | C13 | H29 | 107.7° | 109.5° |
| C12 | N11 | C08 | 126.5° | 120.0° |
| C12 | N11 | H1 | 116.8° | 120.0° |
| C14 | C15 | C17 | 113.7° | 109.5° |
| C14 | C15 | C16 | 112.3° | 109.5° |
| C15 | C14 | H2 | 108.5° | 109.5° |
| C15 | C14 | H3 | 108.5° | 109.4° |
| C14 | C15 | H4 | 106.6° | 109.5° |
| C17 | C15 | C16 | 110.3° | 109.5° |
| C17 | C15 | H4 | 106.7° | 109.5° |
| C15 | C17 | H30 | 109.5° | 109.5° |
| C15 | C17 | H31 | 109.5° | 109.4° |
| C15 | C17 | H32 | 109.5° | 109.5° |
| C16 | C15 | H4 | 106.7° | 109.5° |
| C15 | C16 | H5 | 109.5° | 109.5° |
| C15 | C16 | H6 | 109.4° | 109.5° |
| C15 | C16 | H7 | 109.5° | 109.5° |
| N11 | C08 | C07 | 114.6° | 109.5° |
| N11 | C08 | C09 | 109.7° | 109.5° |
| C08 | N11 | H1 | 116.7° | 120.1° |
| N11 | C08 | H26 | 108.5° | 109.4° |
| C07 | C08 | C09 | 109.2° | 109.5° |
| C08 | C07 | H24 | 108.4° | 109.4° |
| C08 | C07 | H25 | 108.4° | 109.4° |
| C07 | C08 | H26 | 107.2° | 109.5° |
| C08 | C09 | O10 | 108.0° | 109.5° |
| C09 | C08 | H26 | 107.4° | 109.5° |
| C08 | C09 | S1 | 110.5° | 109.5° |
| C08 | C09 | H28 | 106.1° | 109.4° |
| O10 | C09 | S1 | 110.5° | 109.5° |
| O10 | C09 | H28 | 107.8° | 109.5° |
| C09 | O10 | H39 | 109.5° | 114.0° |
| H2 | C14 | H3 | 109.5° | 109.4° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H5 | C16 | H7 | 109.4° | 109.5° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H8 | C23 | H9 | 109.5° | 107.5° |
| H11 | C25 | H12 | 109.5° | 109.8° |
| H14 | C27 | H15 | 109.5° | 107.3° |
| H16 | C28 | H17 | 109.5° | 107.6° |
| H18 | C29 | H19 | 109.5° | 105.8° |
| H20 | C04 | H27 | 109.5° | 110.3° |
| H21 | C05 | H22 | 109.5° | 110.8° |
| H24 | C07 | H25 | 109.5° | 109.6° |
| S1 | C09 | H28 | 113.7° | 109.4° |
| C09 | S1 | O1 | 62.9° | 110.5° |
| C09 | S1 | O2 | 62.9° | 110.6° |
| C09 | S1 | O3 | 62.9° | 104.5° |
| H30 | C17 | H31 | 109.4° | 109.5° |
| H30 | C17 | H32 | 109.5° | 109.5° |
| H31 | C17 | H32 | 109.5° | 109.5° |
| H33 | C21 | H34 | 109.5° | 109.5° |
| H36 | C30 | H37 | 109.4° | 107.3° |
| O1 | S1 | O2 | 0.0° | 121.0° |
| O1 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| S1 | O3 | H41 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | C26 | H11 | 120.0° | 119.6° |
| C24 | C25 | C26 | H12 | 120.0° | 119.7° |
| C25 | C24 | C30 | C23 | 122.9° | 122.9° |
| C25 | C24 | C30 | H10 | 118.6° | 117.8° |
| C25 | C24 | C23 | H10 | 119.5° | 117.7° |
| C25 | C24 | C30 | C29 | 51.1° | 54.3° |
| C24 | C25 | C26 | C28 | 64.4° | 62.6° |
| C24 | C25 | C26 | C27 | 57.9° | 61.6° |
| C25 | C24 | C23 | C22 | 54.0° | 55.7° |
| C25 | C24 | C23 | H8 | 175.0° | 177.1° |
| C25 | C24 | C23 | H9 | 67.0° | 65.8° |
| C24 | C25 | H11 | H12 | 119.9° | 120.7° |
| C24 | C25 | C26 | H13 | 177.9° | 179.7° |
| C25 | C24 | C30 | H36 | 69.5° | 67.2° |
| C25 | C24 | C30 | H37 | 171.7° | 176.0° |
| C26 | C25 | C24 | C30 | 68.3° | 61.7° |
| C26 | C25 | C24 | C23 | 54.0° | 62.2° |
| C25 | C26 | C28 | C27 | 123.6° | 123.2° |
| C25 | C26 | C28 | H13 | 117.9° | 117.4° |
| C25 | C26 | C27 | H13 | 120.2° | 117.8° |
| C25 | C26 | C28 | C29 | 45.6° | 56.1° |
| C25 | C26 | C27 | C22 | 59.2° | 54.3° |
| C26 | C25 | C24 | H10 | 173.3° | 179.8° |
| C26 | C25 | H11 | H12 | 119.9° | 120.7° |
| C25 | C26 | C27 | H14 | 61.3° | 67.3° |
| C25 | C26 | C27 | H15 | 179.7° | 175.8° |
| C25 | C26 | C28 | H16 | 166.5° | 177.5° |
| C25 | C26 | C28 | H17 | 75.3° | 65.2° |
| C30 | C24 | C23 | H10 | 118.7° | 119.3° |
| C24 | C30 | C29 | H36 | 120.6° | 121.4° |
| C24 | C30 | C29 | H37 | 120.6° | 121.7° |
| C24 | C30 | C29 | C28 | 33.7° | 46.9° |
| C30 | C24 | C23 | C22 | 67.8° | 67.3° |
| C30 | C24 | C23 | H8 | 53.2° | 54.1° |
| C30 | C24 | C23 | H9 | 171.2° | 171.2° |
| C30 | C24 | C25 | H11 | 171.6° | 178.7° |
| C30 | C24 | C25 | H12 | 51.7° | 58.0° |
| C24 | C30 | C29 | H18 | 154.8° | 78.9° |
| C24 | C30 | C29 | H19 | 87.3° | 165.6° |
| C24 | C30 | H36 | H37 | 118.2° | 118.0° |
| C23 | C24 | C30 | C29 | 71.8° | 68.5° |
| C24 | C23 | C22 | H8 | 121.0° | 121.4° |
| C24 | C23 | C22 | H9 | 121.0° | 121.4° |
| C24 | C23 | C22 | C27 | 51.1° | 47.2° |
| C24 | C23 | C22 | C21 | 178.5° | 167.0° |
| C24 | C23 | H8 | H9 | 116.9° | 118.0° |
| C23 | C24 | C25 | H11 | 66.0° | 57.3° |
| C23 | C24 | C25 | H12 | 174.0° | 178.1° |
| C24 | C23 | C22 | H35 | 63.2° | 76.7° |
| C23 | C24 | C30 | H36 | 167.6° | 170.0° |
| C23 | C24 | C30 | H37 | 48.7° | 53.2° |
| C30 | C29 | C28 | C26 | 31.7° | 47.8° |
| C30 | C29 | C28 | H18 | 121.0° | 125.8° |
| C30 | C29 | C28 | H19 | 121.0° | 118.8° |
| C29 | C30 | C24 | H10 | 169.6° | 172.2° |
| C30 | C29 | C28 | H16 | 152.6° | 169.1° |
| C30 | C29 | C28 | H17 | 89.2° | 73.5° |
| C30 | C29 | H18 | H19 | 116.7° | 116.7° |
| C29 | C30 | H36 | H37 | 118.2° | 118.1° |
| C28 | C26 | C27 | H13 | 118.5° | 119.3° |
| C26 | C28 | C29 | H16 | 120.9° | 121.3° |
| C26 | C28 | C29 | H17 | 120.9° | 121.3° |
| C28 | C26 | C27 | C22 | 62.1° | 68.6° |
| C28 | C26 | C25 | H11 | 175.5° | 177.8° |
| C28 | C26 | C25 | H12 | 55.6° | 57.0° |
| C28 | C26 | C27 | H14 | 177.4° | 169.8° |
| C28 | C26 | C27 | H15 | 58.4° | 52.9° |
| C26 | C28 | H16 | H17 | 117.2° | 118.2° |
| C26 | C28 | C29 | H18 | 152.7° | 78.1° |
| C26 | C28 | C29 | H19 | 89.4° | 166.5° |
| C27 | C26 | C28 | C29 | 78.0° | 67.1° |
| C26 | C27 | C22 | C23 | 52.3° | 46.6° |
| C26 | C27 | C22 | H14 | 120.5° | 121.7° |
| C26 | C27 | C22 | H15 | 120.5° | 121.6° |
| C26 | C27 | C22 | C21 | 179.3° | 166.3° |
| C27 | C26 | C25 | H11 | 62.1° | 58.0° |
| C27 | C26 | C25 | H12 | 178.0° | 178.8° |
| C26 | C27 | H14 | H15 | 118.5° | 118.0° |
| C27 | C26 | C28 | H16 | 42.9° | 54.3° |
| C27 | C26 | C28 | H17 | 161.1° | 171.6° |
| C26 | C27 | C22 | H35 | 62.0° | 77.3° |
| C29 | C28 | C26 | H13 | 163.5° | 173.6° |
| C29 | C28 | H16 | H17 | 117.2° | 118.4° |
| C28 | C29 | H18 | H19 | 116.7° | 116.5° |
| C28 | C29 | C30 | H36 | 86.8° | 74.5° |
| C28 | C29 | C30 | H37 | 154.3° | 168.5° |
| C23 | C22 | C27 | C21 | 127.0° | 119.8° |
| C23 | C22 | C27 | H35 | 114.3° | 123.8° |
| C23 | C22 | C21 | H35 | 118.3° | 118.6° |
| C23 | C22 | C21 | O20 | 83.6° | 175.0° |
| C22 | C23 | H8 | H9 | 116.9° | 118.2° |
| C22 | C23 | C24 | H10 | 173.5° | 173.4° |
| C23 | C22 | C27 | H14 | 68.2° | 75.1° |
| C23 | C22 | C27 | H15 | 172.8° | 168.1° |
| C23 | C22 | C21 | H33 | 36.8° | 65.0° |
| C23 | C22 | C21 | H34 | 155.9° | 55.0° |
| C27 | C22 | C21 | H35 | 118.8° | 118.7° |
| C27 | C22 | C21 | O20 | 153.5° | 62.3° |
| C27 | C22 | C23 | H8 | 172.1° | 168.6° |
| C27 | C22 | C23 | H9 | 69.9° | 74.2° |
| C22 | C27 | C26 | H13 | 179.4° | 172.1° |
| C22 | C27 | H14 | H15 | 118.5° | 117.9° |
| C27 | C22 | C21 | H33 | 86.1° | 57.7° |
| C27 | C22 | C21 | H34 | 33.0° | 177.7° |
| C22 | C21 | O20 | H33 | 120.5° | 120.0° |
| C22 | C21 | O20 | H34 | 120.5° | 120.0° |
| C22 | C21 | O20 | C19 | 146.9° | 180.0° |
| C21 | C22 | C23 | H8 | 60.5° | 71.6° |
| C21 | C22 | C23 | H9 | 57.5° | 45.6° |
| C21 | C22 | C27 | H14 | 58.8° | 44.7° |
| C21 | C22 | C27 | H15 | 60.2° | 72.1° |
| C22 | C21 | H33 | H34 | 118.6° | 120.0° |
| C21 | O20 | C19 | N18 | 175.2° | 180.0° |
| C21 | O20 | C19 | O31 | 5.4° | 0.0° |
| O20 | C21 | H33 | H34 | 118.6° | 120.1° |
| O20 | C21 | C22 | H35 | 34.7° | 56.4° |
| O20 | C19 | N18 | O31 | 179.4° | 179.9° |
| O20 | C19 | N18 | C13 | 159.4° | 174.7° |
| C19 | O20 | C21 | H33 | 92.7° | 60.1° |
| C19 | O20 | C21 | H34 | 26.4° | 60.0° |
| O20 | C19 | N18 | H38 | 20.7° | 5.2° |
| C19 | N18 | C13 | H38 | 180.0° | 179.9° |
| C19 | N18 | C13 | C12 | 51.1° | 152.2° |
| C19 | N18 | C13 | C14 | 174.1° | 87.9° |
| C19 | N18 | C13 | H29 | 68.0° | 32.1° |
| O31 | C19 | N18 | C13 | 20.0° | 5.4° |
| O31 | C19 | N18 | H38 | 159.9° | 174.7° |
| C05 | C04 | N03 | H20 | 119.3° | 119.0° |
| C05 | C04 | N03 | H27 | 119.3° | 119.0° |
| C04 | C05 | C06 | H21 | 120.0° | 118.1° |
| C04 | C05 | C06 | H22 | 120.0° | 118.1° |
| C05 | C04 | N03 | C02 | 4.2° | 16.9° |
| C04 | C05 | C06 | C02 | 4.5° | 24.9° |
| C04 | C05 | C06 | C07 | 119.0° | 143.6° |
| C05 | C04 | H20 | H27 | 122.1° | 122.0° |
| C04 | C05 | H21 | H22 | 120.2° | 123.8° |
| C04 | C05 | C06 | H23 | 120.4° | 93.7° |
| C05 | C04 | N03 | H40 | 175.8° | 163.0° |
| N03 | C04 | C05 | C06 | 5.5° | 25.4° |
| C04 | N03 | C02 | H40 | 180.0° | 179.8° |
| C04 | N03 | C02 | C06 | 1.5° | 0.2° |
| C04 | N03 | C02 | O01 | 179.8° | 179.5° |
| N03 | C04 | H20 | H27 | 122.1° | 121.9° |
| N03 | C04 | C05 | H21 | 114.4° | 143.6° |
| N03 | C04 | C05 | H22 | 125.4° | 92.7° |
| N18 | C13 | C12 | O32 | 40.8° | 16.9° |
| N18 | C13 | C12 | C14 | 123.0° | 119.9° |
| N18 | C13 | C12 | H29 | 119.8° | 120.0° |
| N18 | C13 | C14 | H29 | 118.7° | 120.0° |
| N18 | C13 | C12 | N11 | 138.5° | 163.1° |
| N18 | C13 | C14 | C15 | 57.9° | 177.3° |
| N18 | C13 | C14 | H2 | 62.7° | 62.7° |
| N18 | C13 | C14 | H3 | 178.5° | 57.3° |
| C05 | C06 | C02 | N03 | 2.0° | 16.5° |
| C05 | C06 | C02 | C07 | 119.9° | 118.7° |
| C05 | C06 | C02 | H23 | 115.9° | 118.6° |
| C05 | C06 | C07 | H23 | 120.8° | 122.6° |
| C05 | C06 | C02 | O01 | 176.7° | 163.8° |
| C05 | C06 | C07 | C08 | 72.3° | 65.3° |
| C06 | C05 | C04 | H20 | 113.8° | 144.4° |
| C06 | C05 | H21 | H22 | 120.1° | 123.8° |
| C05 | C06 | C07 | H24 | 48.4° | 54.7° |
| C05 | C06 | C07 | H25 | 167.1° | 174.8° |
| C06 | C05 | C04 | H27 | 124.8° | 93.6° |
| N03 | C02 | C06 | O01 | 178.6° | 179.7° |
| N03 | C02 | C06 | C07 | 117.9° | 135.1° |
| C02 | N03 | C04 | H20 | 115.1° | 135.8° |
| N03 | C02 | C06 | H23 | 117.9° | 102.1° |
| C02 | N03 | C04 | H27 | 123.5° | 102.1° |
| O32 | C12 | C13 | N11 | 179.3° | 180.0° |
| O32 | C12 | C13 | C14 | 82.1° | 103.1° |
| O32 | C12 | N11 | C08 | 1.2° | 4.8° |
| O32 | C12 | N11 | H1 | 178.7° | 175.5° |
| O32 | C12 | C13 | H29 | 160.6° | 136.9° |
| C02 | C06 | C07 | H23 | 124.5° | 122.6° |
| C02 | C06 | C07 | C08 | 173.1° | 180.0° |
| C02 | C06 | C05 | H21 | 115.5° | 143.1° |
| C02 | C06 | C05 | H22 | 124.4° | 93.2° |
| C02 | C06 | C07 | H24 | 66.3° | 60.0° |
| C02 | C06 | C07 | H25 | 52.4° | 60.1° |
| C06 | C02 | N03 | H40 | 178.5° | 179.7° |
| C07 | C06 | C02 | O01 | 63.5° | 45.2° |
| C06 | C07 | C08 | N11 | 55.7° | 63.4° |
| C06 | C07 | C08 | H24 | 120.6° | 120.0° |
| C06 | C07 | C08 | H25 | 120.6° | 119.9° |
| C06 | C07 | C08 | C09 | 179.1° | 176.5° |
| C07 | C06 | C05 | H21 | 121.0° | 98.3° |
| C07 | C06 | C05 | H22 | 0.9° | 25.4° |
| C06 | C07 | H24 | H25 | 118.0° | 120.0° |
| C06 | C07 | C08 | H26 | 64.8° | 56.5° |
| O01 | C02 | C06 | H23 | 60.7° | 77.5° |
| O01 | C02 | N03 | H40 | 0.2° | 0.7° |
| C12 | C13 | C14 | H29 | 117.3° | 120.0° |
| C12 | C13 | C14 | C15 | 178.1° | 62.8° |
| C13 | C12 | N11 | C08 | 179.5° | 175.2° |
| C13 | C12 | N11 | H1 | 0.6° | 4.5° |
| C12 | C13 | C14 | H2 | 61.3° | 57.3° |
| C12 | C13 | C14 | H3 | 57.5° | 177.3° |
| C12 | C13 | N18 | H38 | 128.9° | 27.8° |
| C14 | C13 | C12 | N11 | 98.5° | 77.0° |
| C13 | C14 | C15 | H2 | 120.6° | 120.1° |
| C13 | C14 | C15 | H3 | 120.6° | 120.0° |
| C13 | C14 | C15 | C17 | 169.8° | 173.8° |
| C13 | C14 | C15 | C16 | 43.6° | 66.2° |
| C13 | C14 | H2 | H3 | 118.2° | 120.1° |
| C13 | C14 | C15 | H4 | 72.9° | 53.8° |
| C14 | C13 | N18 | H38 | 6.0° | 92.2° |
| C12 | N11 | C08 | H1 | 180.0° | 179.7° |
| C12 | N11 | C08 | C07 | 109.5° | 61.3° |
| C12 | N11 | C08 | C09 | 127.3° | 58.8° |
| C12 | N11 | C08 | H26 | 10.3° | 178.8° |
| N11 | C12 | C13 | H29 | 18.7° | 43.1° |
| C14 | C15 | C17 | C16 | 127.2° | 120.0° |
| C14 | C15 | C17 | H4 | 117.2° | 120.0° |
| C14 | C15 | C16 | H4 | 116.5° | 120.0° |
| C15 | C14 | H2 | H3 | 118.2° | 119.9° |
| C14 | C15 | C16 | H5 | 180.0° | 57.4° |
| C14 | C15 | C16 | H6 | 60.0° | 62.6° |
| C14 | C15 | C16 | H7 | 60.0° | 177.4° |
| C15 | C14 | C13 | H29 | 60.8° | 57.2° |
| C14 | C15 | C17 | H30 | 180.0° | 60.0° |
| C14 | C15 | C17 | H31 | 60.0° | 180.0° |
| C14 | C15 | C17 | H32 | 60.0° | 60.0° |
| C17 | C15 | C16 | H4 | 115.6° | 120.0° |
| C17 | C15 | C14 | H2 | 69.6° | 53.7° |
| C17 | C15 | C14 | H3 | 49.2° | 66.2° |
| C17 | C15 | C16 | H5 | 52.1° | 177.4° |
| C17 | C15 | C16 | H6 | 67.9° | 57.4° |
| C17 | C15 | C16 | H7 | 172.1° | 62.6° |
| C15 | C17 | H30 | H31 | 120.0° | 119.9° |
| C15 | C17 | H30 | H32 | 120.0° | 120.0° |
| C15 | C17 | H31 | H32 | 120.0° | 120.0° |
| C16 | C15 | C14 | H2 | 164.2° | 173.7° |
| C16 | C15 | C14 | H3 | 76.9° | 53.8° |
| C15 | C16 | H5 | H6 | 120.0° | 120.0° |
| C15 | C16 | H5 | H7 | 120.0° | 120.0° |
| C15 | C16 | H6 | H7 | 120.0° | 120.0° |
| C16 | C15 | C17 | H30 | 52.8° | 180.0° |
| C16 | C15 | C17 | H31 | 172.8° | 60.0° |
| C16 | C15 | C17 | H32 | 67.2° | 60.0° |
| N11 | C08 | C07 | C09 | 123.5° | 120.1° |
| N11 | C08 | C07 | H26 | 120.5° | 119.9° |
| N11 | C08 | C09 | H26 | 117.7° | 119.9° |
| N11 | C08 | C09 | O10 | 61.6° | 178.3° |
| N11 | C08 | C07 | H24 | 176.3° | 176.6° |
| N11 | C08 | C07 | H25 | 65.0° | 56.5° |
| N11 | C08 | C09 | S1 | 59.4° | 61.6° |
| N11 | C08 | C09 | H28 | 177.0° | 58.3° |
| C07 | C08 | C09 | H26 | 115.9° | 120.0° |
| C07 | C08 | C09 | O10 | 172.0° | 58.3° |
| C07 | C08 | N11 | H1 | 70.5° | 119.0° |
| C08 | C07 | C06 | H23 | 48.6° | 57.3° |
| C08 | C07 | H24 | H25 | 118.1° | 120.0° |
| C07 | C08 | C09 | S1 | 67.0° | 178.3° |
| C07 | C08 | C09 | H28 | 56.6° | 61.8° |
| C08 | C09 | O10 | S1 | 121.0° | 120.0° |
| C08 | C09 | O10 | H28 | 114.2° | 120.0° |
| C09 | C08 | N11 | H1 | 52.7° | 120.9° |
| C09 | C08 | C07 | H24 | 60.2° | 56.5° |
| C09 | C08 | C07 | H25 | 58.5° | 63.5° |
| C08 | C09 | S1 | H28 | 119.1° | 119.9° |
| C08 | C09 | O10 | H39 | 180.0° | 60.0° |
| C08 | C09 | S1 | O1 | 82.5° | 52.7° |
| C08 | C09 | S1 | O2 | 82.5° | 170.6° |
| C08 | C09 | S1 | O3 | 82.5° | 58.9° |
| O10 | C09 | C08 | H26 | 56.1° | 61.8° |
| O10 | C09 | S1 | H28 | 121.4° | 120.0° |
| O10 | C09 | S1 | O1 | 158.0° | 67.3° |
| O10 | C09 | S1 | O2 | 158.0° | 69.4° |
| O10 | C09 | S1 | O3 | 158.0° | 178.9° |
| H1 | N11 | C08 | H26 | 169.8° | 1.0° |
| H2 | C14 | C15 | H4 | 47.7° | 66.3° |
| H2 | C14 | C13 | H29 | 178.6° | 177.3° |
| H3 | C14 | C15 | H4 | 166.5° | 173.8° |
| H3 | C14 | C13 | H29 | 59.7° | 62.7° |
| H4 | C15 | C16 | H5 | 63.5° | 62.6° |
| H4 | C15 | C16 | H6 | 176.5° | 177.4° |
| H4 | C15 | C16 | H7 | 56.5° | 57.4° |
| H4 | C15 | C17 | H30 | 62.8° | 60.0° |
| H4 | C15 | C17 | H31 | 57.2° | 60.0° |
| H4 | C15 | C17 | H32 | 177.2° | 180.0° |
| H5 | C16 | H6 | H7 | 120.0° | 120.0° |
| H8 | C23 | C24 | H10 | 65.5° | 65.2° |
| H8 | C23 | C22 | H35 | 57.8° | 44.7° |
| H9 | C23 | C24 | H10 | 52.5° | 51.9° |
| H9 | C23 | C22 | H35 | 175.9° | 161.9° |
| H10 | C24 | C25 | H11 | 53.2° | 60.6° |
| H10 | C24 | C25 | H12 | 66.7° | 60.1° |
| H10 | C24 | C30 | H36 | 49.0° | 50.7° |
| H10 | C24 | C30 | H37 | 69.8° | 66.1° |
| H11 | C25 | C26 | H13 | 57.8° | 60.1° |
| H12 | C25 | C26 | H13 | 62.1° | 60.6° |
| H13 | C26 | C27 | H14 | 58.9° | 50.5° |
| H13 | C26 | C27 | H15 | 60.1° | 66.4° |
| H13 | C26 | C28 | H16 | 75.6° | 65.0° |
| H13 | C26 | C28 | H17 | 42.6° | 52.2° |
| H14 | C27 | C22 | H35 | 177.6° | 161.1° |
| H15 | C27 | C22 | H35 | 58.5° | 44.3° |
| H16 | C28 | C29 | H18 | 86.4° | 43.3° |
| H16 | C28 | C29 | H19 | 31.5° | 72.1° |
| H17 | C28 | C29 | H18 | 31.8° | 160.7° |
| H17 | C28 | C29 | H19 | 149.7° | 45.3° |
| H18 | C29 | C30 | H36 | 34.2° | 159.7° |
| H18 | C29 | C30 | H37 | 84.7° | 42.8° |
| H19 | C29 | C30 | H36 | 152.1° | 44.2° |
| H19 | C29 | C30 | H37 | 33.3° | 72.8° |
| H20 | C04 | C05 | H21 | 126.3° | 97.5° |
| H20 | C04 | C05 | H22 | 6.2° | 26.3° |
| H20 | C04 | N03 | H40 | 65.0° | 44.0° |
| H21 | C05 | C06 | H23 | 0.5° | 24.4° |
| H21 | C05 | C04 | H27 | 4.8° | 24.6° |
| H22 | C05 | C06 | H23 | 119.6° | 148.1° |
| H22 | C05 | C04 | H27 | 115.3° | 148.3° |
| H23 | C06 | C07 | H24 | 169.2° | 177.3° |
| H23 | C06 | C07 | H25 | 72.0° | 62.6° |
| H24 | C07 | C08 | H26 | 55.8° | 63.5° |
| H25 | C07 | C08 | H26 | 174.6° | 176.5° |
| H26 | C08 | C09 | S1 | 177.1° | 58.3° |
| H26 | C08 | C09 | H28 | 59.3° | 178.2° |
| S1 | C09 | O10 | H39 | 59.0° | 179.9° |
| C09 | S1 | O1 | O2 | 90.0° | 131.5° |
| C09 | S1 | O1 | O3 | 90.0° | 111.8° |
| C09 | S1 | O2 | O3 | 90.0° | 111.8° |
| C09 | S1 | O3 | H41 | 90.0° | 180.0° |
| H28 | C09 | O10 | H39 | 65.8° | 60.0° |
| H28 | C09 | S1 | O1 | 36.6° | 172.7° |
| H28 | C09 | S1 | O2 | 36.6° | 50.6° |
| H28 | C09 | S1 | O3 | 36.6° | 61.0° |
| H29 | C13 | N18 | H38 | 112.0° | 147.8° |
| H30 | C17 | H31 | H32 | 120.0° | 120.0° |
| H33 | C21 | C22 | H35 | 155.2° | 176.4° |
| H34 | C21 | C22 | H35 | 85.8° | 63.6° |
| O1 | S1 | O2 | O3 | 90.0° | 116.7° |
| O1 | S1 | O3 | H41 | 90.0° | 63.9° |
| O2 | S1 | O3 | H41 | 90.0° | 63.9° |
| H27 | C04 | N03 | H40 | 56.5° | 78.0° |
