Y8V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | sing | 1.52Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C30 | C24 | sing | 1.52Å | 1.55Å | |
| C30 | C29 | sing | 1.51Å | 1.50Å | |
| O01 | C02 | doub | 1.21Å | 1.20Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C22 | C27 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | doub | 1.29Å | 1.33Å | |
| C02 | N03 | sing | 1.34Å | 1.40Å | |
| C02 | C06 | sing | 1.51Å | 1.53Å | |
| N03 | C04 | sing | 1.47Å | 1.46Å | |
| C21 | O20 | sing | 1.45Å | 1.43Å | |
| C27 | C26 | sing | 1.54Å | 1.52Å | |
| O31 | C19 | doub | 1.22Å | 1.21Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C28 | C26 | sing | 1.51Å | 1.48Å | |
| O20 | C19 | sing | 1.35Å | 1.37Å | |
| C06 | C07 | sing | 1.53Å | 1.55Å | |
| C06 | C05 | sing | 1.55Å | 1.55Å | |
| C19 | N18 | sing | 1.35Å | 1.34Å | |
| C04 | C05 | sing | 1.54Å | 1.54Å | |
| C17 | C15 | sing | 1.53Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.59Å | |
| N18 | C13 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.51Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| N11 | C08 | sing | 1.47Å | 1.46Å | |
| N11 | C12 | sing | 1.35Å | 1.40Å | |
| C15 | C14 | sing | 1.53Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C12 | O32 | doub | 1.21Å | 1.21Å | |
| C09 | O10 | sing | 1.43Å | 1.40Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C07 | H22 | sing | 1.09Å | 1.10Å | |
| C08 | H23 | sing | 1.09Å | 1.10Å | |
| C09 | H24 | sing | 1.09Å | 1.10Å | |
| C09 | S1 | sing | 1.81Å | 1.07Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.08Å | 1.08Å | |
| C29 | H33 | sing | 1.08Å | 1.08Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| N03 | H36 | sing | 0.97Å | 1.00Å | |
| N11 | H37 | sing | 0.97Å | 1.00Å | |
| N18 | H38 | sing | 0.97Å | 1.00Å | |
| O10 | H39 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 34.24Å | |
| S1 | O2 | doub | 1.42Å | 34.24Å | |
| S1 | O3 | sing | 1.52Å | 34.24Å | |
| O3 | H25 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 115.7° | 111.0° |
| C23 | C24 | C30 | 110.3° | 111.3° |
| C23 | C24 | C25 | 112.5° | 111.1° |
| C23 | C24 | H12 | 108.0° | 108.2° |
| C24 | C23 | H28 | 107.9° | 109.2° |
| C24 | C23 | H29 | 107.9° | 109.2° |
| C23 | C22 | C21 | 113.9° | 108.7° |
| C23 | C22 | C27 | 106.3° | 109.0° |
| C23 | C22 | H27 | 107.8° | 110.8° |
| C22 | C23 | H28 | 107.9° | 109.2° |
| C22 | C23 | H29 | 107.9° | 109.2° |
| C24 | C30 | C29 | 112.7° | 111.6° |
| C30 | C24 | C25 | 110.0° | 109.8° |
| C30 | C24 | H12 | 107.9° | 108.2° |
| C24 | C30 | H34 | 108.7° | 109.1° |
| C24 | C30 | H35 | 108.7° | 109.1° |
| C30 | C29 | C28 | 124.0° | 124.5° |
| C30 | C29 | H33 | 118.0° | 117.8° |
| C29 | C30 | H34 | 108.7° | 109.7° |
| C29 | C30 | H35 | 108.7° | 108.3° |
| O01 | C02 | N03 | 124.3° | 125.0° |
| O01 | C02 | C06 | 127.8° | 124.9° |
| C24 | C25 | C26 | 107.0° | 108.4° |
| C25 | C24 | H12 | 108.0° | 108.2° |
| C24 | C25 | H13 | 110.1° | 109.7° |
| C24 | C25 | H14 | 110.1° | 109.7° |
| C21 | C22 | C27 | 112.5° | 109.5° |
| C22 | C21 | O20 | 116.5° | 109.5° |
| C22 | C21 | H10 | 107.7° | 109.5° |
| C22 | C21 | H11 | 107.7° | 109.5° |
| C21 | C22 | H27 | 107.8° | 109.5° |
| C22 | C27 | C26 | 116.3° | 107.3° |
| C27 | C22 | H27 | 108.2° | 109.5° |
| C22 | C27 | H30 | 107.7° | 109.8° |
| C22 | C27 | H31 | 107.8° | 109.8° |
| C29 | C28 | C26 | 120.0° | 123.3° |
| C29 | C28 | H32 | 120.0° | 118.3° |
| C28 | C29 | H33 | 118.0° | 117.7° |
| N03 | C02 | C06 | 108.0° | 110.1° |
| C02 | N03 | C04 | 114.9° | 111.3° |
| C02 | N03 | H36 | 122.6° | 124.3° |
| C02 | C06 | C07 | 113.5° | 110.5° |
| C02 | C06 | C05 | 104.1° | 104.2° |
| C02 | C06 | H20 | 108.8° | 110.5° |
| N03 | C04 | C05 | 103.6° | 105.5° |
| N03 | C04 | H16 | 110.9° | 110.2° |
| N03 | C04 | H17 | 111.0° | 110.3° |
| C04 | N03 | H36 | 122.6° | 124.3° |
| C21 | O20 | C19 | 118.9° | 117.0° |
| O20 | C21 | H10 | 107.7° | 109.4° |
| O20 | C21 | H11 | 107.7° | 109.4° |
| C27 | C26 | C25 | 113.7° | 108.0° |
| C27 | C26 | C28 | 108.9° | 108.1° |
| C27 | C26 | H15 | 109.7° | 110.5° |
| C26 | C27 | H30 | 107.7° | 109.0° |
| C26 | C27 | H31 | 107.8° | 111.1° |
| O31 | C19 | O20 | 120.3° | 120.0° |
| O31 | C19 | N18 | 122.1° | 120.0° |
| C25 | C26 | C28 | 104.0° | 109.1° |
| C26 | C25 | H13 | 110.1° | 109.7° |
| C26 | C25 | H14 | 110.1° | 109.7° |
| C25 | C26 | H15 | 109.9° | 110.5° |
| C28 | C26 | H15 | 110.4° | 110.5° |
| C26 | C28 | H32 | 120.0° | 118.4° |
| O20 | C19 | N18 | 117.5° | 120.0° |
| C07 | C06 | C05 | 113.0° | 110.5° |
| C06 | C07 | C08 | 113.0° | 109.5° |
| C07 | C06 | H20 | 108.7° | 110.4° |
| C06 | C07 | H21 | 108.6° | 109.5° |
| C06 | C07 | H22 | 108.6° | 109.4° |
| C06 | C05 | C04 | 107.4° | 101.8° |
| C06 | C05 | H18 | 110.0° | 111.0° |
| C06 | C05 | H19 | 110.0° | 111.0° |
| C05 | C06 | H20 | 108.6° | 110.6° |
| C19 | N18 | C13 | 120.9° | 120.0° |
| C19 | N18 | H38 | 119.6° | 120.0° |
| C05 | C04 | H16 | 110.9° | 110.3° |
| C05 | C04 | H17 | 110.9° | 110.3° |
| C04 | C05 | H18 | 110.0° | 111.0° |
| C04 | C05 | H19 | 110.0° | 110.9° |
| C17 | C15 | C14 | 111.5° | 109.5° |
| C17 | C15 | C16 | 109.7° | 109.4° |
| C17 | C15 | H3 | 108.3° | 109.4° |
| C15 | C17 | H7 | 109.5° | 109.4° |
| C15 | C17 | H8 | 109.4° | 109.5° |
| C15 | C17 | H9 | 109.5° | 109.5° |
| C07 | C08 | N11 | 111.2° | 109.5° |
| C07 | C08 | C09 | 109.3° | 109.4° |
| C08 | C07 | H21 | 108.6° | 109.5° |
| C08 | C07 | H22 | 108.6° | 109.5° |
| C07 | C08 | H23 | 108.3° | 109.4° |
| N18 | C13 | C12 | 111.4° | 109.4° |
| N18 | C13 | C14 | 110.9° | 109.5° |
| N18 | C13 | H26 | 109.0° | 109.5° |
| C13 | N18 | H38 | 119.5° | 120.0° |
| C12 | C13 | C14 | 108.5° | 109.5° |
| C13 | C12 | N11 | 118.4° | 120.0° |
| C13 | C12 | O32 | 120.0° | 120.0° |
| C12 | C13 | H26 | 108.2° | 109.5° |
| C13 | C14 | C15 | 113.8° | 109.5° |
| C13 | C14 | H1 | 108.3° | 109.5° |
| C13 | C14 | H2 | 108.4° | 109.5° |
| C14 | C13 | H26 | 108.7° | 109.5° |
| C08 | N11 | C12 | 120.4° | 120.0° |
| N11 | C08 | C09 | 109.0° | 109.5° |
| N11 | C08 | H23 | 110.0° | 109.5° |
| C08 | N11 | H37 | 119.8° | 120.0° |
| N11 | C12 | O32 | 121.6° | 120.0° |
| C12 | N11 | H37 | 119.8° | 120.0° |
| C14 | C15 | C16 | 110.6° | 109.5° |
| C15 | C14 | H1 | 108.4° | 109.5° |
| C15 | C14 | H2 | 108.4° | 109.5° |
| C14 | C15 | H3 | 108.6° | 109.5° |
| C16 | C15 | H3 | 108.0° | 109.5° |
| C15 | C16 | H4 | 109.5° | 109.5° |
| C15 | C16 | H5 | 109.5° | 109.5° |
| C15 | C16 | H6 | 109.4° | 109.4° |
| C08 | C09 | O10 | 105.3° | 109.5° |
| C09 | C08 | H23 | 109.0° | 109.5° |
| C08 | C09 | H24 | 106.2° | 109.5° |
| C08 | C09 | S1 | 111.7° | 109.5° |
| O10 | C09 | H24 | 107.9° | 109.5° |
| O10 | C09 | S1 | 111.7° | 109.5° |
| C09 | O10 | H39 | 109.5° | 114.0° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H4 | C16 | H6 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.4° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H7 | C17 | H9 | 109.5° | 109.4° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H13 | C25 | H14 | 109.5° | 109.7° |
| H16 | C04 | H17 | 109.4° | 110.2° |
| H18 | C05 | H19 | 109.5° | 110.8° |
| H21 | C07 | H22 | 109.5° | 109.5° |
| H24 | C09 | S1 | 113.5° | 109.4° |
| C09 | S1 | O1 | 138.6° | 110.6° |
| C09 | S1 | O2 | 138.6° | 110.6° |
| C09 | S1 | O3 | 138.6° | 104.5° |
| H28 | C23 | H29 | 109.5° | 109.1° |
| H30 | C27 | H31 | 109.5° | 109.8° |
| H34 | C30 | H35 | 109.5° | 109.1° |
| O1 | S1 | O2 | 0.0° | 121.0° |
| O1 | S1 | O3 | 0.0° | 104.2° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| S1 | O3 | H25 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H28 | 120.9° | 120.4° |
| C24 | C23 | C22 | H29 | 120.9° | 120.4° |
| C23 | C24 | C30 | C25 | 124.7° | 123.4° |
| C23 | C24 | C30 | H12 | 117.7° | 118.8° |
| C23 | C24 | C30 | C29 | 97.2° | 81.3° |
| C23 | C24 | C25 | H12 | 119.1° | 118.7° |
| C24 | C23 | C22 | C21 | 83.5° | 177.0° |
| C24 | C23 | C22 | C27 | 41.0° | 57.8° |
| C23 | C24 | C25 | C26 | 60.4° | 57.9° |
| C23 | C24 | C25 | H13 | 180.0° | 177.7° |
| C23 | C24 | C25 | H14 | 59.2° | 61.8° |
| C24 | C23 | C22 | H27 | 156.9° | 62.7° |
| C24 | C23 | H28 | H29 | 117.1° | 119.2° |
| C23 | C24 | C30 | H34 | 23.3° | 40.0° |
| C23 | C24 | C30 | H35 | 142.3° | 159.1° |
| C22 | C23 | C24 | C30 | 108.4° | 67.0° |
| C22 | C23 | C24 | C25 | 14.8° | 55.6° |
| C23 | C22 | C21 | C27 | 121.1° | 118.9° |
| C23 | C22 | C21 | H27 | 119.7° | 121.1° |
| C23 | C22 | C27 | H27 | 115.6° | 121.3° |
| C23 | C22 | C21 | O20 | 171.9° | 176.1° |
| C23 | C22 | C27 | C26 | 55.1° | 62.8° |
| C23 | C22 | C21 | H10 | 50.9° | 63.9° |
| C23 | C22 | C21 | H11 | 67.1° | 56.1° |
| C22 | C23 | C24 | H12 | 134.0° | 174.2° |
| C22 | C23 | H28 | H29 | 117.2° | 119.2° |
| C23 | C22 | C27 | H30 | 176.0° | 178.9° |
| C23 | C22 | C27 | H31 | 66.0° | 58.1° |
| C24 | C30 | C29 | H34 | 120.5° | 121.0° |
| C24 | C30 | C29 | H35 | 120.5° | 120.1° |
| C30 | C24 | C25 | H12 | 117.5° | 117.8° |
| C24 | C30 | C29 | C28 | 3.1° | 10.0° |
| C30 | C24 | C25 | C26 | 63.0° | 65.6° |
| C30 | C24 | C25 | H13 | 56.6° | 54.1° |
| C30 | C24 | C25 | H14 | 177.4° | 174.7° |
| C30 | C24 | C23 | H28 | 130.7° | 172.6° |
| C30 | C24 | C23 | H29 | 12.5° | 53.4° |
| C24 | C30 | C29 | H33 | 176.9° | 169.0° |
| C24 | C30 | H34 | H35 | 118.5° | 119.1° |
| C29 | C30 | C24 | C25 | 27.5° | 42.1° |
| C30 | C29 | C28 | H33 | 180.0° | 179.0° |
| C30 | C29 | C28 | C26 | 14.2° | 0.3° |
| C29 | C30 | C24 | H12 | 145.1° | 159.9° |
| C30 | C29 | C28 | H32 | 165.8° | 179.7° |
| C29 | C30 | H34 | H35 | 118.6° | 118.5° |
| O01 | C02 | N03 | C06 | 179.9° | 179.7° |
| O01 | C02 | N03 | C04 | 179.8° | 179.9° |
| O01 | C02 | C06 | C07 | 48.3° | 77.8° |
| O01 | C02 | C06 | C05 | 171.5° | 163.4° |
| O01 | C02 | C06 | H20 | 72.8° | 44.7° |
| O01 | C02 | N03 | H36 | 0.2° | 0.2° |
| C24 | C25 | C26 | C27 | 47.4° | 63.2° |
| C24 | C25 | C26 | H13 | 119.6° | 119.8° |
| C24 | C25 | C26 | H14 | 119.6° | 119.7° |
| C24 | C25 | C26 | C28 | 70.9° | 54.1° |
| C24 | C25 | H13 | H14 | 121.1° | 120.5° |
| C24 | C25 | C26 | H15 | 170.9° | 175.8° |
| C25 | C24 | C23 | H28 | 106.1° | 64.8° |
| C25 | C24 | C23 | H29 | 135.8° | 176.0° |
| C25 | C24 | C30 | H34 | 148.0° | 163.4° |
| C25 | C24 | C30 | H35 | 93.0° | 77.5° |
| C21 | C22 | C27 | H27 | 119.0° | 120.0° |
| C22 | C21 | O20 | H10 | 121.0° | 120.0° |
| C22 | C21 | O20 | H11 | 121.1° | 120.0° |
| C21 | C22 | C27 | C26 | 70.3° | 178.5° |
| C22 | C21 | O20 | C19 | 138.9° | 180.0° |
| C22 | C21 | H10 | H11 | 116.8° | 120.1° |
| C21 | C22 | C23 | H28 | 37.4° | 56.7° |
| C21 | C22 | C23 | H29 | 155.6° | 62.5° |
| C21 | C22 | C27 | H30 | 50.7° | 60.2° |
| C21 | C22 | C27 | H31 | 168.7° | 60.7° |
| C27 | C22 | C21 | O20 | 50.8° | 65.0° |
| C22 | C27 | C26 | H30 | 121.0° | 118.9° |
| C22 | C27 | C26 | H31 | 121.0° | 120.0° |
| C22 | C27 | C26 | C25 | 10.5° | 66.1° |
| C22 | C27 | C26 | C28 | 125.9° | 51.9° |
| C27 | C22 | C21 | H10 | 70.2° | 55.0° |
| C27 | C22 | C21 | H11 | 171.8° | 175.0° |
| C22 | C27 | C26 | H15 | 113.1° | 172.9° |
| C27 | C22 | C23 | H28 | 161.9° | 62.6° |
| C27 | C22 | C23 | H29 | 79.9° | 178.2° |
| C22 | C27 | H30 | H31 | 116.9° | 120.8° |
| C29 | C28 | C26 | C27 | 74.1° | 94.4° |
| C29 | C28 | C26 | C25 | 47.4° | 22.8° |
| C29 | C28 | C26 | H32 | 180.0° | 180.0° |
| C29 | C28 | C26 | H15 | 165.3° | 144.5° |
| C28 | C29 | C30 | H34 | 123.6° | 131.0° |
| C28 | C29 | C30 | H35 | 117.4° | 110.1° |
| C02 | N03 | C04 | H36 | 180.0° | 179.9° |
| N03 | C02 | C06 | C07 | 131.8° | 102.4° |
| N03 | C02 | C06 | C05 | 8.6° | 16.3° |
| C02 | N03 | C04 | C05 | 8.9° | 17.0° |
| C02 | N03 | C04 | H16 | 110.2° | 102.0° |
| C02 | N03 | C04 | H17 | 127.9° | 136.1° |
| N03 | C02 | C06 | H20 | 107.1° | 135.1° |
| C06 | C02 | N03 | C04 | 0.2° | 0.4° |
| C02 | C06 | C07 | C05 | 118.2° | 114.8° |
| C02 | C06 | C07 | H20 | 121.2° | 122.5° |
| C02 | C06 | C05 | H20 | 115.8° | 118.7° |
| C02 | C06 | C05 | C04 | 13.8° | 24.8° |
| C02 | C06 | C07 | C08 | 174.3° | 66.4° |
| C02 | C06 | C05 | H18 | 105.9° | 93.3° |
| C02 | C06 | C05 | H19 | 133.5° | 142.9° |
| C02 | C06 | C07 | H21 | 65.2° | 173.6° |
| C02 | C06 | C07 | H22 | 53.8° | 53.6° |
| C06 | C02 | N03 | H36 | 179.9° | 179.5° |
| N03 | C04 | C05 | C06 | 13.8° | 25.4° |
| N03 | C04 | C05 | H16 | 119.1° | 118.9° |
| N03 | C04 | C05 | H17 | 119.1° | 119.1° |
| N03 | C04 | H16 | H17 | 122.8° | 122.0° |
| N03 | C04 | C05 | H18 | 105.9° | 92.8° |
| N03 | C04 | C05 | H19 | 133.4° | 143.6° |
| C21 | O20 | C19 | O31 | 0.6° | 0.0° |
| C21 | O20 | C19 | N18 | 179.4° | 180.0° |
| O20 | C21 | H10 | H11 | 116.8° | 120.0° |
| O20 | C21 | C22 | H27 | 68.5° | 55.0° |
| C27 | C26 | C25 | C28 | 118.3° | 117.3° |
| C27 | C26 | C25 | H15 | 123.5° | 121.0° |
| C27 | C26 | C28 | H15 | 120.6° | 121.1° |
| C27 | C26 | C25 | H13 | 167.0° | 177.0° |
| C27 | C26 | C25 | H14 | 72.2° | 56.4° |
| C26 | C27 | C22 | H27 | 170.7° | 58.5° |
| C26 | C27 | H30 | H31 | 116.9° | 121.9° |
| C27 | C26 | C28 | H32 | 105.9° | 85.6° |
| O31 | C19 | O20 | N18 | 180.0° | 180.0° |
| O31 | C19 | N18 | C13 | 9.4° | 0.0° |
| O31 | C19 | N18 | H38 | 170.6° | 180.0° |
| C25 | C26 | C28 | H15 | 117.9° | 121.7° |
| C26 | C25 | C24 | H12 | 179.5° | 176.6° |
| C26 | C25 | H13 | H14 | 121.2° | 120.5° |
| C25 | C26 | C27 | H30 | 131.5° | 175.1° |
| C25 | C26 | C27 | H31 | 110.5° | 53.9° |
| C25 | C26 | C28 | H32 | 132.6° | 157.2° |
| C28 | C26 | C25 | H13 | 48.7° | 65.7° |
| C28 | C26 | C25 | H14 | 169.5° | 173.8° |
| C28 | C26 | C27 | H30 | 113.1° | 67.0° |
| C28 | C26 | C27 | H31 | 4.9° | 171.9° |
| C26 | C28 | C29 | H33 | 165.8° | 178.8° |
| O20 | C19 | N18 | C13 | 170.6° | 180.0° |
| C19 | O20 | C21 | H10 | 100.0° | 60.0° |
| C19 | O20 | C21 | H11 | 17.9° | 60.0° |
| O20 | C19 | N18 | H38 | 9.4° | 0.1° |
| C07 | C06 | C05 | H20 | 120.6° | 122.6° |
| C07 | C06 | C05 | C04 | 137.3° | 93.9° |
| C06 | C07 | C08 | H21 | 120.5° | 120.0° |
| C06 | C07 | C08 | H22 | 120.5° | 119.9° |
| C06 | C07 | C08 | N11 | 62.3° | 65.0° |
| C06 | C07 | C08 | C09 | 177.3° | 175.0° |
| C07 | C06 | C05 | H18 | 17.7° | 147.9° |
| C07 | C06 | C05 | H19 | 103.0° | 24.2° |
| C06 | C07 | H21 | H22 | 118.4° | 120.0° |
| C06 | C07 | C08 | H23 | 58.7° | 55.0° |
| C06 | C05 | C04 | H18 | 119.7° | 118.2° |
| C06 | C05 | C04 | H19 | 119.7° | 118.1° |
| C05 | C06 | C07 | C08 | 67.5° | 178.8° |
| C06 | C05 | C04 | H16 | 105.3° | 93.5° |
| C06 | C05 | C04 | H17 | 132.9° | 144.5° |
| C06 | C05 | H18 | H19 | 120.9° | 123.8° |
| C05 | C06 | C07 | H21 | 53.0° | 58.7° |
| C05 | C06 | C07 | H22 | 171.9° | 61.3° |
| C19 | N18 | C13 | H38 | 180.0° | 180.0° |
| C19 | N18 | C13 | C12 | 59.0° | 155.0° |
| C19 | N18 | C13 | C14 | 180.0° | 85.0° |
| C19 | N18 | C13 | H26 | 60.3° | 35.0° |
| C05 | C04 | H16 | H17 | 122.7° | 122.0° |
| C04 | C05 | H18 | H19 | 121.0° | 123.8° |
| C04 | C05 | C06 | H20 | 102.1° | 143.5° |
| C05 | C04 | N03 | H36 | 171.2° | 162.9° |
| C17 | C15 | C14 | C13 | 60.8° | 65.0° |
| C17 | C15 | C14 | C16 | 122.4° | 120.0° |
| C17 | C15 | C14 | H3 | 119.2° | 120.0° |
| C17 | C15 | C16 | H3 | 117.8° | 120.0° |
| C17 | C15 | C14 | H1 | 178.5° | 55.0° |
| C17 | C15 | C14 | H2 | 59.8° | 175.0° |
| C17 | C15 | C16 | H4 | 180.0° | 60.0° |
| C17 | C15 | C16 | H5 | 60.0° | 60.0° |
| C17 | C15 | C16 | H6 | 60.0° | 180.0° |
| C15 | C17 | H7 | H8 | 120.0° | 120.0° |
| C15 | C17 | H7 | H9 | 120.0° | 120.0° |
| C15 | C17 | H8 | H9 | 120.0° | 120.1° |
| C07 | C08 | N11 | C09 | 120.6° | 120.0° |
| C07 | C08 | N11 | H23 | 120.0° | 120.0° |
| C07 | C08 | N11 | C12 | 125.5° | 155.0° |
| C07 | C08 | C09 | H23 | 118.2° | 119.9° |
| C07 | C08 | C09 | O10 | 58.1° | 55.0° |
| C08 | C07 | C06 | H20 | 53.1° | 56.1° |
| C08 | C07 | H21 | H22 | 118.4° | 120.0° |
| C07 | C08 | C09 | H24 | 172.3° | 175.0° |
| C07 | C08 | C09 | S1 | 63.4° | 65.1° |
| C07 | C08 | N11 | H37 | 54.5° | 25.0° |
| N18 | C13 | C12 | C14 | 122.4° | 120.0° |
| N18 | C13 | C12 | H26 | 119.8° | 120.0° |
| N18 | C13 | C14 | H26 | 119.9° | 120.0° |
| N18 | C13 | C12 | N11 | 126.8° | 179.7° |
| N18 | C13 | C14 | C15 | 58.4° | 65.0° |
| N18 | C13 | C12 | O32 | 52.5° | 0.0° |
| N18 | C13 | C14 | H1 | 62.3° | 175.0° |
| N18 | C13 | C14 | H2 | 179.0° | 55.0° |
| C12 | C13 | C14 | H26 | 117.4° | 120.0° |
| C13 | C12 | N11 | C08 | 179.5° | 179.7° |
| C13 | C12 | N11 | O32 | 179.3° | 179.7° |
| C12 | C13 | C14 | C15 | 178.9° | 175.0° |
| C12 | C13 | C14 | H1 | 60.4° | 55.0° |
| C12 | C13 | C14 | H2 | 58.3° | 65.0° |
| C13 | C12 | N11 | H37 | 0.5° | 0.3° |
| C12 | C13 | N18 | H38 | 121.0° | 25.0° |
| C14 | C13 | C12 | N11 | 110.8° | 59.7° |
| C13 | C14 | C15 | H1 | 120.6° | 120.0° |
| C13 | C14 | C15 | H2 | 120.6° | 120.0° |
| C13 | C14 | C15 | C16 | 176.8° | 175.0° |
| C14 | C13 | C12 | O32 | 69.9° | 120.0° |
| C13 | C14 | H1 | H2 | 118.0° | 120.0° |
| C13 | C14 | C15 | H3 | 58.4° | 55.0° |
| C14 | C13 | N18 | H38 | 0.0° | 95.0° |
| C08 | N11 | C12 | H37 | 180.0° | 180.0° |
| N11 | C08 | C09 | H23 | 120.1° | 120.1° |
| C08 | N11 | C12 | O32 | 0.2° | 0.0° |
| N11 | C08 | C09 | O10 | 179.8° | 175.0° |
| N11 | C08 | C07 | H21 | 177.2° | 175.0° |
| N11 | C08 | C07 | H22 | 58.2° | 54.9° |
| N11 | C08 | C09 | H24 | 66.0° | 65.0° |
| N11 | C08 | C09 | S1 | 58.3° | 54.9° |
| C12 | N11 | C08 | C09 | 113.9° | 85.0° |
| C12 | N11 | C08 | H23 | 5.5° | 35.0° |
| N11 | C12 | C13 | H26 | 7.0° | 60.3° |
| C14 | C15 | C16 | H3 | 118.8° | 120.1° |
| C15 | C14 | H1 | H2 | 118.0° | 120.0° |
| C14 | C15 | C16 | H4 | 56.6° | 60.0° |
| C14 | C15 | C16 | H5 | 63.5° | 180.0° |
| C14 | C15 | C16 | H6 | 176.6° | 60.0° |
| C14 | C15 | C17 | H7 | 180.0° | 60.0° |
| C14 | C15 | C17 | H8 | 60.0° | 60.0° |
| C14 | C15 | C17 | H9 | 60.0° | 180.0° |
| C15 | C14 | C13 | H26 | 61.5° | 55.0° |
| C16 | C15 | C14 | H1 | 56.2° | 64.9° |
| C16 | C15 | C14 | H2 | 62.6° | 55.1° |
| C15 | C16 | H4 | H5 | 120.0° | 120.1° |
| C15 | C16 | H4 | H6 | 120.0° | 120.0° |
| C15 | C16 | H5 | H6 | 120.0° | 120.0° |
| C16 | C15 | C17 | H7 | 57.1° | 60.0° |
| C16 | C15 | C17 | H8 | 62.9° | 180.0° |
| C16 | C15 | C17 | H9 | 177.1° | 60.0° |
| C08 | C09 | O10 | H24 | 113.0° | 120.0° |
| C08 | C09 | O10 | S1 | 121.5° | 120.0° |
| C09 | C08 | C07 | H21 | 56.8° | 55.0° |
| C09 | C08 | C07 | H22 | 62.1° | 65.1° |
| C08 | C09 | H24 | S1 | 123.1° | 119.9° |
| C09 | C08 | N11 | H37 | 66.1° | 95.0° |
| C08 | C09 | O10 | H39 | 180.0° | 59.9° |
| C08 | C09 | S1 | O1 | 73.2° | 63.4° |
| C08 | C09 | S1 | O2 | 73.2° | 73.3° |
| C08 | C09 | S1 | O3 | 73.2° | 175.0° |
| O32 | C12 | C13 | H26 | 172.3° | 120.0° |
| O32 | C12 | N11 | H37 | 179.8° | 180.0° |
| O10 | C09 | C08 | H23 | 60.2° | 65.0° |
| O10 | C09 | H24 | S1 | 124.4° | 120.0° |
| O10 | C09 | S1 | O1 | 44.6° | 56.6° |
| O10 | C09 | S1 | O2 | 44.6° | 166.6° |
| O10 | C09 | S1 | O3 | 44.6° | 55.0° |
| H1 | C14 | C15 | H3 | 62.2° | 175.0° |
| H1 | C14 | C13 | H26 | 177.8° | 65.0° |
| H2 | C14 | C15 | H3 | 179.0° | 65.0° |
| H2 | C14 | C13 | H26 | 59.1° | 175.0° |
| H3 | C15 | C16 | H4 | 62.2° | 180.0° |
| H3 | C15 | C16 | H5 | 177.8° | 59.9° |
| H3 | C15 | C16 | H6 | 57.8° | 60.0° |
| H3 | C15 | C17 | H7 | 60.6° | 180.0° |
| H3 | C15 | C17 | H8 | 179.4° | 60.0° |
| H3 | C15 | C17 | H9 | 59.4° | 60.0° |
| H4 | C16 | H5 | H6 | 120.0° | 120.0° |
| H7 | C17 | H8 | H9 | 120.0° | 120.0° |
| H10 | C21 | C22 | H27 | 170.5° | 175.0° |
| H11 | C21 | C22 | H27 | 52.6° | 65.0° |
| H12 | C24 | C25 | H13 | 60.9° | 63.7° |
| H12 | C24 | C25 | H14 | 59.9° | 56.9° |
| H12 | C24 | C23 | H28 | 13.1° | 53.8° |
| H12 | C24 | C23 | H29 | 105.1° | 65.4° |
| H12 | C24 | C30 | H34 | 94.4° | 78.8° |
| H12 | C24 | C30 | H35 | 24.6° | 40.3° |
| H13 | C25 | C26 | H15 | 69.5° | 56.0° |
| H14 | C25 | C26 | H15 | 51.3° | 64.5° |
| H15 | C26 | C27 | H30 | 7.9° | 54.1° |
| H15 | C26 | C27 | H31 | 125.9° | 67.0° |
| H15 | C26 | C28 | H32 | 14.7° | 35.5° |
| H16 | C04 | C05 | H18 | 135.0° | 148.3° |
| H16 | C04 | C05 | H19 | 14.4° | 24.6° |
| H16 | C04 | N03 | H36 | 69.8° | 78.1° |
| H17 | C04 | C05 | H18 | 13.2° | 26.3° |
| H17 | C04 | C05 | H19 | 107.4° | 97.4° |
| H17 | C04 | N03 | H36 | 52.1° | 43.9° |
| H18 | C05 | C06 | H20 | 138.3° | 25.4° |
| H19 | C05 | C06 | H20 | 17.6° | 98.4° |
| H20 | C06 | C07 | H21 | 173.6° | 63.9° |
| H20 | C06 | C07 | H22 | 67.5° | 176.1° |
| H21 | C07 | C08 | H23 | 61.8° | 65.0° |
| H22 | C07 | C08 | H23 | 179.3° | 175.0° |
| H23 | C08 | C09 | H24 | 54.1° | 55.1° |
| H23 | C08 | C09 | S1 | 178.3° | 175.0° |
| H23 | C08 | N11 | H37 | 174.5° | 145.0° |
| H24 | C09 | O10 | H39 | 66.9° | 180.0° |
| H24 | C09 | S1 | O1 | 166.8° | 176.6° |
| H24 | C09 | S1 | O2 | 166.8° | 46.6° |
| H24 | C09 | S1 | O3 | 166.8° | 65.0° |
| S1 | C09 | O10 | H39 | 58.5° | 60.1° |
| C09 | S1 | O1 | O2 | 90.0° | 131.5° |
| C09 | S1 | O1 | O3 | 90.0° | 111.7° |
| C09 | S1 | O2 | O3 | 90.0° | 111.8° |
| C09 | S1 | O3 | H25 | 90.0° | 180.0° |
| H26 | C13 | N18 | H38 | 119.7° | 145.0° |
| H27 | C22 | C23 | H28 | 82.2° | 176.9° |
| H27 | C22 | C23 | H29 | 35.9° | 57.7° |
| H27 | C22 | C27 | H30 | 68.4° | 59.8° |
| H27 | C22 | C27 | H31 | 49.6° | 179.3° |
| H32 | C28 | C29 | H33 | 14.2° | 1.2° |
| H33 | C29 | C30 | H34 | 56.4° | 48.0° |
| H33 | C29 | C30 | H35 | 62.6° | 70.9° |
| O1 | S1 | O2 | O3 | 90.0° | 116.7° |
| O1 | S1 | O3 | H25 | 90.0° | 63.9° |
| O2 | S1 | O3 | H25 | 90.0° | 63.9° |
