Y91
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 | 1.54Å | |
| 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 | 1.40Å | |
| O20 | C19 | sing | 1.35Å | 1.38Å | |
| C19 | N18 | sing | 1.35Å | 1.40Å | |
| C19 | O31 | doub | 1.21Å | 1.22Å | |
| C04 | C05 | sing | 1.54Å | 1.58Å | |
| C04 | N03 | sing | 1.47Å | 1.47Å | |
| N18 | C13 | sing | 1.46Å | 1.48Å | |
| C05 | C06 | sing | 1.55Å | 1.53Å | |
| N03 | C02 | sing | 1.34Å | 1.40Å | |
| O32 | C12 | doub | 1.21Å | 1.23Å | |
| C13 | C12 | sing | 1.51Å | 1.56Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C06 | C02 | sing | 1.51Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.58Å | |
| C02 | O01 | doub | 1.21Å | 1.23Å | |
| 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 | 1.46Å | 1.45Å | |
| C08 | C07 | sing | 1.53Å | 1.58Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| C09 | O10 | sing | 1.43Å | 1.40Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.10Å | 1.10Å | |
| C23 | H11 | sing | 1.10Å | 1.10Å | |
| C24 | H12 | sing | 1.10Å | 1.10Å | |
| C26 | H13 | sing | 1.10Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | S1 | sing | 1.81Å | 1.07Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C07 | H22 | sing | 1.09Å | 1.10Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C05 | H24 | sing | 1.09Å | 1.10Å | |
| C05 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.10Å | 1.10Å | |
| C27 | H30 | sing | 1.10Å | 1.10Å | |
| C28 | H31 | sing | 1.10Å | 1.10Å | |
| C28 | H32 | sing | 1.10Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.11Å | 1.10Å | |
| C30 | H35 | sing | 1.10Å | 1.10Å | |
| C30 | H36 | sing | 1.10Å | 1.10Å | |
| 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 | 19.83Å | |
| S1 | O2 | doub | 1.42Å | 19.83Å | |
| S1 | O3 | sing | 1.52Å | 19.83Å | |
| C04 | H18 | 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° | 110.2° |
| C25 | C24 | C23 | 111.4° | 110.0° |
| C25 | C24 | H12 | 108.7° | 107.8° |
| C24 | C25 | H27 | 109.4° | 109.7° |
| C24 | C25 | H28 | 109.4° | 109.7° |
| C25 | C26 | C28 | 108.5° | 110.1° |
| C25 | C26 | C27 | 112.6° | 110.2° |
| C25 | C26 | H13 | 108.7° | 107.9° |
| C26 | C25 | H27 | 109.4° | 109.7° |
| C26 | C25 | H28 | 109.4° | 109.8° |
| C30 | C24 | C23 | 110.3° | 112.1° |
| C24 | C30 | C29 | 113.3° | 113.4° |
| C30 | C24 | H12 | 108.6° | 108.3° |
| C24 | C30 | H35 | 108.5° | 109.0° |
| C24 | C30 | H36 | 108.5° | 109.0° |
| C24 | C23 | C22 | 116.4° | 112.5° |
| C24 | C23 | H10 | 107.7° | 109.2° |
| C24 | C23 | H11 | 107.7° | 109.2° |
| C23 | C24 | H12 | 108.3° | 108.2° |
| C30 | C29 | C28 | 116.7° | 113.6° |
| C30 | C29 | H33 | 107.6° | 111.1° |
| C30 | C29 | H34 | 107.6° | 107.5° |
| C29 | C30 | H35 | 108.5° | 109.1° |
| C29 | C30 | H36 | 108.5° | 109.1° |
| C28 | C26 | C27 | 110.2° | 111.9° |
| C26 | C28 | C29 | 115.5° | 113.3° |
| C28 | C26 | H13 | 108.4° | 108.3° |
| C26 | C28 | H31 | 108.0° | 108.9° |
| C26 | C28 | H32 | 108.0° | 109.0° |
| C26 | C27 | C22 | 112.9° | 112.7° |
| C27 | C26 | H13 | 108.3° | 108.3° |
| C26 | C27 | H29 | 108.6° | 109.1° |
| C26 | C27 | H30 | 108.6° | 109.2° |
| C29 | C28 | H31 | 107.9° | 109.1° |
| C29 | C28 | H32 | 107.9° | 109.2° |
| C28 | C29 | H33 | 107.6° | 111.2° |
| C28 | C29 | H34 | 107.6° | 107.6° |
| C23 | C22 | C27 | 106.2° | 112.3° |
| C23 | C22 | C21 | 114.0° | 108.4° |
| C22 | C23 | H10 | 107.7° | 109.0° |
| C22 | C23 | H11 | 107.7° | 109.0° |
| C23 | C22 | H26 | 107.3° | 110.3° |
| C27 | C22 | C21 | 114.3° | 108.3° |
| C27 | C22 | H26 | 107.4° | 110.3° |
| C22 | C27 | H29 | 108.6° | 109.0° |
| C22 | C27 | H30 | 108.6° | 109.1° |
| C22 | C21 | O20 | 113.6° | 109.5° |
| C22 | C21 | H8 | 108.4° | 109.4° |
| C22 | C21 | H9 | 108.4° | 109.5° |
| C21 | C22 | H26 | 107.3° | 107.0° |
| C21 | O20 | C19 | 123.9° | 117.0° |
| O20 | C21 | H8 | 108.4° | 109.5° |
| O20 | C21 | H9 | 108.4° | 109.5° |
| O20 | C19 | N18 | 119.5° | 120.0° |
| O20 | C19 | O31 | 119.5° | 120.0° |
| N18 | C19 | O31 | 121.0° | 120.0° |
| C19 | N18 | C13 | 120.9° | 120.0° |
| C19 | N18 | H38 | 119.5° | 120.0° |
| C05 | C04 | N03 | 105.0° | 105.4° |
| C04 | C05 | C06 | 109.3° | 101.8° |
| C05 | C04 | H21 | 110.6° | 110.3° |
| C04 | C05 | H24 | 109.5° | 111.0° |
| C04 | C05 | H25 | 109.5° | 111.0° |
| C05 | C04 | H18 | 110.6° | 110.2° |
| C04 | N03 | C02 | 110.3° | 111.3° |
| N03 | C04 | H21 | 110.6° | 110.3° |
| N03 | C04 | H18 | 110.6° | 110.2° |
| C04 | N03 | H40 | 124.9° | 124.4° |
| N18 | C13 | C12 | 111.9° | 109.5° |
| N18 | C13 | C14 | 110.6° | 109.5° |
| N18 | C13 | H4 | 108.9° | 109.5° |
| C13 | N18 | H38 | 119.6° | 120.0° |
| C05 | C06 | C02 | 101.2° | 104.2° |
| C05 | C06 | C07 | 110.8° | 110.5° |
| C05 | C06 | H20 | 109.8° | 110.6° |
| C06 | C05 | H24 | 109.5° | 111.0° |
| C06 | C05 | H25 | 109.5° | 110.9° |
| N03 | C02 | C06 | 114.2° | 110.1° |
| N03 | C02 | O01 | 120.7° | 125.0° |
| C02 | N03 | H40 | 124.9° | 124.3° |
| O32 | C12 | C13 | 118.1° | 120.0° |
| O32 | C12 | N11 | 119.7° | 120.0° |
| C12 | C13 | C14 | 109.8° | 109.5° |
| C13 | C12 | N11 | 122.3° | 120.0° |
| C12 | C13 | H4 | 107.9° | 109.5° |
| C13 | C14 | C15 | 113.5° | 109.5° |
| C14 | C13 | H4 | 107.7° | 109.5° |
| C13 | C14 | H5 | 108.5° | 109.5° |
| C13 | C14 | H6 | 108.5° | 109.4° |
| C02 | C06 | C07 | 115.9° | 110.5° |
| C06 | C02 | O01 | 125.1° | 124.9° |
| C02 | C06 | H20 | 109.7° | 110.5° |
| C06 | C07 | C08 | 114.0° | 109.5° |
| C07 | C06 | H20 | 109.1° | 110.4° |
| C06 | C07 | H22 | 108.3° | 109.4° |
| C06 | C07 | H23 | 108.3° | 109.5° |
| C12 | N11 | C08 | 126.2° | 120.0° |
| C12 | N11 | H37 | 116.9° | 120.0° |
| C14 | C15 | C17 | 113.6° | 109.5° |
| C14 | C15 | C16 | 112.4° | 109.5° |
| C15 | C14 | H5 | 108.5° | 109.5° |
| C15 | C14 | H6 | 108.5° | 109.5° |
| C14 | C15 | H7 | 106.6° | 109.5° |
| C17 | C15 | C16 | 110.3° | 109.5° |
| C15 | C17 | H1 | 109.5° | 109.5° |
| C15 | C17 | H2 | 109.4° | 109.5° |
| C15 | C17 | H3 | 109.5° | 109.5° |
| C17 | C15 | H7 | 106.7° | 109.4° |
| C16 | C15 | H7 | 106.8° | 109.5° |
| C15 | C16 | H14 | 109.5° | 109.5° |
| C15 | C16 | H15 | 109.4° | 109.5° |
| C15 | C16 | H16 | 109.5° | 109.5° |
| N11 | C08 | C07 | 114.5° | 109.5° |
| N11 | C08 | C09 | 109.9° | 109.5° |
| N11 | C08 | H19 | 108.5° | 109.4° |
| C08 | N11 | H37 | 116.9° | 120.0° |
| C07 | C08 | C09 | 109.4° | 109.5° |
| C07 | C08 | H19 | 107.0° | 109.5° |
| C08 | C07 | H22 | 108.3° | 109.5° |
| C08 | C07 | H23 | 108.3° | 109.5° |
| C08 | C09 | O10 | 110.2° | 109.5° |
| C08 | C09 | H17 | 106.5° | 109.5° |
| C08 | C09 | S1 | 108.7° | 109.5° |
| C09 | C08 | H19 | 107.3° | 109.4° |
| O10 | C09 | H17 | 108.3° | 109.5° |
| O10 | C09 | S1 | 108.8° | 109.5° |
| C09 | O10 | H39 | 109.5° | 114.0° |
| H1 | C17 | H2 | 109.5° | 109.5° |
| H1 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.4° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H10 | C23 | H11 | 109.5° | 107.7° |
| H14 | C16 | H15 | 109.5° | 109.4° |
| H14 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C09 | S1 | 114.3° | 109.4° |
| C09 | S1 | O1 | 61.8° | 110.5° |
| C09 | S1 | O2 | 61.8° | 110.5° |
| C09 | S1 | O3 | 61.8° | 104.5° |
| H21 | C04 | H18 | 109.4° | 110.3° |
| H22 | C07 | H23 | 109.4° | 109.5° |
| H24 | C05 | H25 | 109.5° | 110.9° |
| H27 | C25 | H28 | 109.4° | 109.8° |
| H29 | C27 | H30 | 109.5° | 107.6° |
| H31 | C28 | H32 | 109.5° | 107.2° |
| H33 | C29 | H34 | 109.5° | 105.4° |
| H35 | C30 | H36 | 109.5° | 107.1° |
| 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 | H27 | 120.1° | 119.6° |
| C24 | C25 | C26 | H28 | 120.0° | 119.6° |
| C25 | C24 | C30 | C23 | 122.9° | 123.0° |
| C25 | C24 | C30 | H12 | 118.6° | 117.7° |
| C25 | C24 | C23 | H12 | 119.5° | 117.5° |
| C25 | C24 | C30 | C29 | 51.3° | 54.0° |
| C24 | C25 | C26 | C28 | 64.4° | 62.3° |
| C24 | C25 | C26 | C27 | 57.9° | 61.6° |
| C25 | C24 | C23 | C22 | 53.8° | 56.4° |
| C25 | C24 | C23 | H10 | 174.8° | 177.6° |
| C25 | C24 | C23 | H11 | 67.2° | 64.9° |
| C24 | C25 | C26 | H13 | 178.0° | 179.7° |
| C24 | C25 | H27 | H28 | 119.9° | 120.7° |
| C25 | C24 | C30 | H35 | 69.2° | 67.7° |
| C25 | C24 | C30 | H36 | 171.9° | 175.8° |
| C26 | C25 | C24 | C30 | 68.2° | 62.1° |
| C26 | C25 | C24 | C23 | 54.0° | 62.0° |
| C25 | C26 | C28 | C27 | 123.7° | 123.0° |
| C25 | C26 | C28 | H13 | 117.9° | 117.7° |
| C25 | C26 | C27 | H13 | 120.3° | 117.8° |
| C25 | C26 | C28 | C29 | 45.9° | 54.5° |
| C25 | C26 | C27 | C22 | 59.0° | 55.6° |
| C26 | C25 | C24 | H12 | 173.3° | 179.8° |
| C26 | C25 | H27 | H28 | 119.9° | 120.7° |
| C25 | C26 | C27 | H29 | 61.5° | 65.7° |
| C25 | C26 | C27 | H30 | 179.5° | 177.0° |
| C25 | C26 | C28 | H31 | 166.8° | 176.1° |
| C25 | C26 | C28 | H32 | 74.9° | 67.3° |
| C30 | C24 | C23 | H12 | 118.7° | 119.4° |
| C24 | C30 | C29 | H35 | 120.5° | 121.6° |
| C24 | C30 | C29 | H36 | 120.5° | 121.7° |
| C24 | C30 | C29 | C28 | 34.3° | 45.3° |
| C30 | C24 | C23 | C22 | 68.0° | 66.7° |
| C30 | C24 | C23 | H10 | 53.0° | 54.5° |
| C30 | C24 | C23 | H11 | 171.0° | 172.1° |
| C30 | C24 | C25 | H27 | 171.7° | 178.3° |
| C30 | C24 | C25 | H28 | 51.8° | 57.5° |
| C24 | C30 | C29 | H33 | 155.3° | 81.0° |
| C24 | C30 | C29 | H34 | 86.8° | 164.2° |
| C24 | C30 | H35 | H36 | 118.3° | 117.8° |
| C23 | C24 | C30 | C29 | 71.6° | 68.9° |
| C24 | C23 | C22 | H10 | 121.0° | 121.3° |
| C24 | C23 | C22 | H11 | 121.0° | 121.3° |
| C24 | C23 | C22 | C27 | 50.7° | 49.0° |
| C24 | C23 | C22 | C21 | 177.5° | 168.7° |
| C24 | C23 | H10 | H11 | 116.9° | 118.5° |
| C24 | C23 | C22 | H26 | 63.9° | 74.5° |
| C23 | C24 | C25 | H27 | 66.0° | 57.5° |
| C23 | C24 | C25 | H28 | 174.1° | 178.3° |
| C23 | C24 | C30 | H35 | 167.8° | 169.4° |
| C23 | C24 | C30 | H36 | 49.0° | 52.8° |
| C30 | C29 | C28 | C26 | 32.3° | 45.5° |
| C30 | C29 | C28 | H33 | 121.0° | 126.2° |
| C30 | C29 | C28 | H34 | 121.1° | 118.8° |
| C29 | C30 | C24 | H12 | 169.9° | 171.7° |
| C30 | C29 | C28 | H31 | 153.2° | 167.0° |
| C30 | C29 | C28 | H32 | 88.6° | 76.2° |
| C30 | C29 | H33 | H34 | 116.7° | 116.1° |
| C29 | C30 | H35 | H36 | 118.3° | 118.0° |
| C28 | C26 | C27 | H13 | 118.4° | 119.3° |
| C26 | C28 | C29 | H31 | 120.9° | 121.5° |
| C26 | C28 | C29 | H32 | 120.9° | 121.7° |
| C28 | C26 | C27 | C22 | 62.3° | 67.3° |
| C28 | C26 | C25 | H27 | 175.6° | 178.1° |
| C28 | C26 | C25 | H28 | 55.6° | 57.3° |
| C28 | C26 | C27 | H29 | 177.2° | 171.4° |
| C28 | C26 | C27 | H30 | 58.2° | 54.1° |
| C26 | C28 | H31 | H32 | 117.3° | 117.8° |
| C26 | C28 | C29 | H33 | 153.3° | 80.7° |
| C26 | C28 | C29 | H34 | 88.8° | 164.4° |
| C27 | C26 | C28 | C29 | 77.8° | 68.5° |
| C26 | C27 | C22 | C23 | 51.9° | 48.7° |
| C26 | C27 | C22 | H29 | 120.5° | 121.4° |
| C26 | C27 | C22 | H30 | 120.5° | 121.4° |
| C26 | C27 | C22 | C21 | 178.5° | 168.3° |
| C26 | C27 | C22 | H26 | 62.7° | 74.8° |
| C27 | C26 | C25 | H27 | 62.1° | 57.9° |
| C27 | C26 | C25 | H28 | 177.9° | 178.7° |
| C26 | C27 | H29 | H30 | 118.5° | 118.3° |
| C27 | C26 | C28 | H31 | 43.1° | 53.1° |
| C27 | C26 | C28 | H32 | 161.4° | 169.8° |
| C29 | C28 | C26 | H13 | 163.9° | 172.2° |
| C29 | C28 | H31 | H32 | 117.2° | 118.1° |
| C28 | C29 | H33 | H34 | 116.7° | 116.3° |
| C28 | C29 | C30 | H35 | 86.2° | 76.4° |
| C28 | C29 | C30 | H36 | 154.9° | 166.9° |
| C23 | C22 | C27 | C21 | 126.6° | 119.7° |
| C23 | C22 | C27 | H26 | 114.6° | 123.5° |
| C23 | C22 | C21 | H26 | 118.7° | 119.0° |
| C23 | C22 | C21 | O20 | 79.1° | 175.0° |
| C23 | C22 | C21 | H8 | 41.5° | 55.0° |
| C23 | C22 | C21 | H9 | 160.3° | 64.9° |
| C22 | C23 | H10 | H11 | 116.9° | 118.2° |
| C22 | C23 | C24 | H12 | 173.4° | 173.9° |
| C23 | C22 | C27 | H29 | 68.6° | 72.7° |
| C23 | C22 | C27 | H30 | 172.4° | 170.1° |
| C27 | C22 | C21 | H26 | 118.9° | 118.9° |
| C27 | C22 | C21 | O20 | 158.4° | 62.9° |
| C27 | C22 | C21 | H8 | 80.9° | 177.2° |
| C27 | C22 | C21 | H9 | 37.8° | 57.2° |
| C27 | C22 | C23 | H10 | 171.7° | 170.3° |
| C27 | C22 | C23 | H11 | 70.3° | 72.3° |
| C22 | C27 | C26 | H13 | 179.3° | 173.4° |
| C22 | C27 | H29 | H30 | 118.4° | 118.2° |
| C22 | C21 | O20 | H8 | 120.6° | 119.9° |
| C22 | C21 | O20 | H9 | 120.6° | 120.1° |
| C22 | C21 | O20 | C19 | 140.4° | 180.0° |
| C22 | C21 | H8 | H9 | 118.1° | 120.0° |
| C21 | C22 | C23 | H10 | 61.6° | 70.0° |
| C21 | C22 | C23 | H11 | 56.5° | 47.3° |
| C21 | C22 | C27 | H29 | 57.9° | 47.0° |
| C21 | C22 | C27 | H30 | 61.0° | 70.2° |
| C21 | O20 | C19 | N18 | 167.7° | 180.0° |
| C21 | O20 | C19 | O31 | 13.2° | 0.0° |
| O20 | C21 | H8 | H9 | 118.1° | 120.0° |
| O20 | C21 | C22 | H26 | 39.6° | 56.0° |
| O20 | C19 | N18 | O31 | 179.1° | 180.0° |
| O20 | C19 | N18 | C13 | 155.4° | 175.0° |
| C19 | O20 | C21 | H8 | 98.9° | 60.0° |
| C19 | O20 | C21 | H9 | 19.9° | 60.0° |
| O20 | C19 | N18 | H38 | 24.5° | 5.0° |
| C19 | N18 | C13 | H38 | 180.0° | 180.0° |
| C19 | N18 | C13 | C12 | 50.1° | 151.6° |
| C19 | N18 | C13 | C14 | 172.8° | 88.4° |
| C19 | N18 | C13 | H4 | 69.0° | 31.6° |
| O31 | C19 | N18 | C13 | 23.7° | 5.0° |
| O31 | C19 | N18 | H38 | 156.3° | 175.0° |
| C05 | C04 | N03 | H21 | 119.3° | 119.0° |
| C05 | C04 | N03 | H18 | 119.3° | 119.0° |
| C04 | C05 | C06 | H24 | 120.0° | 118.1° |
| C04 | C05 | C06 | H25 | 120.0° | 118.1° |
| C05 | C04 | N03 | C02 | 1.4° | 17.1° |
| C04 | C05 | C06 | C02 | 0.1° | 24.8° |
| C04 | C05 | C06 | C07 | 123.4° | 93.9° |
| C04 | C05 | C06 | H20 | 116.0° | 143.6° |
| C05 | C04 | H21 | H18 | 122.1° | 122.0° |
| C04 | C05 | H24 | H25 | 120.1° | 123.8° |
| C05 | C04 | N03 | H40 | 178.5° | 163.1° |
| N03 | C04 | C05 | C06 | 0.9° | 25.4° |
| C04 | N03 | C02 | H40 | 180.0° | 179.9° |
| C04 | N03 | C02 | C06 | 1.5° | 0.5° |
| C04 | N03 | C02 | O01 | 179.8° | 179.6° |
| N03 | C04 | H21 | H18 | 122.0° | 122.0° |
| N03 | C04 | C05 | H24 | 119.1° | 143.5° |
| N03 | C04 | C05 | H25 | 120.9° | 92.7° |
| N18 | C13 | C12 | O32 | 46.8° | 12.5° |
| N18 | C13 | C12 | C14 | 123.1° | 120.0° |
| N18 | C13 | C12 | H4 | 119.7° | 120.0° |
| N18 | C13 | C14 | H4 | 118.9° | 120.0° |
| N18 | C13 | C12 | N11 | 132.8° | 167.5° |
| N18 | C13 | C14 | C15 | 60.4° | 171.3° |
| N18 | C13 | C14 | H5 | 60.2° | 51.3° |
| N18 | C13 | C14 | H6 | 179.0° | 68.7° |
| C05 | C06 | C02 | N03 | 0.8° | 16.2° |
| C05 | C06 | C02 | C07 | 119.9° | 118.7° |
| C05 | C06 | C02 | H20 | 115.9° | 118.8° |
| C05 | C06 | C07 | H20 | 120.9° | 122.6° |
| C05 | C06 | C02 | O01 | 179.5° | 163.7° |
| C05 | C06 | C07 | C08 | 67.5° | 178.8° |
| C06 | C05 | C04 | H21 | 118.4° | 93.6° |
| C05 | C06 | C07 | H22 | 53.2° | 61.2° |
| C05 | C06 | C07 | H23 | 171.8° | 58.8° |
| C06 | C05 | H24 | H25 | 120.1° | 123.8° |
| C06 | C05 | C04 | H18 | 120.2° | 144.4° |
| N03 | C02 | C06 | O01 | 178.7° | 179.9° |
| N03 | C02 | C06 | C07 | 120.7° | 102.4° |
| N03 | C02 | C06 | H20 | 115.1° | 135.0° |
| C02 | N03 | C04 | H21 | 117.9° | 102.0° |
| C02 | N03 | C04 | H18 | 120.7° | 136.0° |
| O32 | C12 | C13 | N11 | 179.6° | 180.0° |
| O32 | C12 | C13 | C14 | 76.3° | 107.5° |
| O32 | C12 | N11 | C08 | 0.9° | 5.7° |
| O32 | C12 | C13 | H4 | 166.5° | 132.5° |
| O32 | C12 | N11 | H37 | 179.1° | 174.2° |
| C12 | C13 | C14 | H4 | 117.2° | 120.0° |
| C12 | C13 | C14 | C15 | 175.7° | 68.7° |
| C13 | C12 | N11 | C08 | 179.5° | 174.2° |
| C12 | C13 | C14 | H5 | 63.8° | 171.2° |
| C12 | C13 | C14 | H6 | 55.1° | 51.3° |
| C13 | C12 | N11 | H37 | 0.5° | 5.8° |
| C12 | C13 | N18 | H38 | 129.8° | 28.4° |
| C14 | C13 | C12 | N11 | 104.1° | 72.5° |
| C13 | C14 | C15 | H5 | 120.6° | 120.0° |
| C13 | C14 | C15 | H6 | 120.6° | 120.0° |
| C13 | C14 | C15 | C17 | 168.1° | 174.0° |
| C13 | C14 | C15 | C16 | 42.0° | 66.0° |
| C13 | C14 | H5 | H6 | 118.2° | 119.9° |
| C13 | C14 | C15 | H7 | 74.7° | 54.0° |
| C14 | C13 | N18 | H38 | 7.1° | 91.6° |
| C02 | C06 | C07 | H20 | 124.5° | 122.6° |
| C02 | C06 | C07 | C08 | 177.9° | 66.5° |
| C02 | C06 | C07 | H22 | 61.3° | 53.5° |
| C02 | C06 | C07 | H23 | 57.2° | 173.5° |
| C02 | C06 | C05 | H24 | 119.9° | 142.9° |
| C02 | C06 | C05 | H25 | 120.1° | 93.3° |
| C06 | C02 | N03 | H40 | 178.5° | 179.7° |
| C07 | C06 | C02 | O01 | 60.6° | 77.6° |
| C06 | C07 | C08 | N11 | 59.6° | 65.0° |
| C06 | C07 | C08 | H22 | 120.7° | 120.0° |
| C06 | C07 | C08 | H23 | 120.7° | 120.0° |
| C06 | C07 | C08 | C09 | 176.5° | 175.0° |
| C06 | C07 | C08 | H19 | 60.6° | 55.0° |
| C06 | C07 | H22 | H23 | 117.9° | 120.0° |
| C07 | C06 | C05 | H24 | 116.6° | 24.3° |
| C07 | C06 | C05 | H25 | 3.5° | 148.0° |
| O01 | C02 | C06 | H20 | 63.6° | 44.9° |
| O01 | C02 | N03 | H40 | 0.3° | 0.3° |
| C12 | N11 | C08 | H37 | 180.0° | 179.9° |
| C12 | N11 | C08 | C07 | 116.6° | 155.0° |
| C12 | N11 | C08 | C09 | 119.8° | 84.9° |
| N11 | C12 | C13 | H4 | 13.1° | 47.5° |
| C12 | N11 | C08 | H19 | 2.8° | 35.0° |
| C14 | C15 | C17 | C16 | 127.2° | 120.0° |
| C14 | C15 | C17 | H7 | 117.1° | 120.0° |
| C14 | C15 | C16 | H7 | 116.5° | 120.0° |
| C14 | C15 | C17 | H1 | 180.0° | 60.0° |
| C14 | C15 | C17 | H2 | 60.0° | 180.0° |
| C14 | C15 | C17 | H3 | 60.0° | 60.0° |
| C15 | C14 | C13 | H4 | 58.4° | 51.3° |
| C15 | C14 | H5 | H6 | 118.1° | 120.0° |
| C14 | C15 | C16 | H14 | 180.0° | 176.1° |
| C14 | C15 | C16 | H15 | 60.0° | 56.2° |
| C14 | C15 | C16 | H16 | 60.0° | 63.8° |
| C17 | C15 | C16 | H7 | 115.6° | 119.9° |
| C15 | C17 | H1 | H2 | 120.0° | 120.0° |
| C15 | C17 | H1 | H3 | 120.0° | 120.0° |
| C15 | C17 | H2 | H3 | 120.0° | 120.0° |
| C17 | C15 | C14 | H5 | 71.3° | 66.0° |
| C17 | C15 | C14 | H6 | 47.5° | 54.0° |
| C17 | C15 | C16 | H14 | 52.1° | 63.9° |
| C17 | C15 | C16 | H15 | 67.9° | 176.2° |
| C17 | C15 | C16 | H16 | 172.2° | 56.2° |
| C16 | C15 | C17 | H1 | 52.8° | 180.0° |
| C16 | C15 | C17 | H2 | 172.8° | 60.0° |
| C16 | C15 | C17 | H3 | 67.2° | 60.0° |
| C16 | C15 | C14 | H5 | 162.6° | 54.0° |
| C16 | C15 | C14 | H6 | 78.6° | 174.0° |
| C15 | C16 | H14 | H15 | 120.0° | 120.0° |
| C15 | C16 | H14 | H16 | 120.0° | 120.1° |
| C15 | C16 | H15 | H16 | 120.0° | 120.0° |
| N11 | C08 | C07 | C09 | 123.8° | 120.1° |
| N11 | C08 | C07 | H19 | 120.3° | 120.0° |
| N11 | C08 | C09 | H19 | 117.8° | 120.0° |
| N11 | C08 | C09 | O10 | 178.9° | 175.0° |
| N11 | C08 | C09 | H17 | 63.8° | 64.9° |
| N11 | C08 | C09 | S1 | 59.7° | 55.0° |
| N11 | C08 | C07 | H22 | 179.7° | 55.0° |
| N11 | C08 | C07 | H23 | 61.0° | 175.0° |
| C07 | C08 | C09 | H19 | 115.7° | 120.0° |
| C07 | C08 | C09 | O10 | 52.4° | 55.0° |
| C07 | C08 | C09 | H17 | 169.7° | 175.0° |
| C07 | C08 | C09 | S1 | 66.7° | 65.0° |
| C08 | C07 | C06 | H20 | 53.5° | 56.1° |
| C08 | C07 | H22 | H23 | 117.9° | 120.0° |
| C07 | C08 | N11 | H37 | 63.4° | 25.0° |
| C08 | C09 | O10 | H17 | 116.1° | 120.0° |
| C08 | C09 | O10 | S1 | 119.1° | 120.0° |
| C08 | C09 | H17 | S1 | 120.0° | 120.0° |
| C09 | C08 | C07 | H22 | 55.9° | 65.1° |
| C09 | C08 | C07 | H23 | 62.8° | 55.0° |
| C09 | C08 | N11 | H37 | 60.2° | 95.0° |
| C08 | C09 | O10 | H39 | 180.0° | 60.0° |
| C08 | C09 | S1 | O1 | 81.9° | 63.4° |
| C08 | C09 | S1 | O2 | 81.9° | 73.4° |
| C08 | C09 | S1 | O3 | 81.9° | 175.0° |
| O10 | C09 | H17 | S1 | 121.4° | 120.0° |
| O10 | C09 | C08 | H19 | 63.3° | 65.0° |
| O10 | C09 | S1 | O1 | 38.1° | 56.7° |
| O10 | C09 | S1 | O2 | 38.1° | 166.6° |
| O10 | C09 | S1 | O3 | 38.1° | 55.0° |
| H1 | C17 | H2 | H3 | 120.0° | 120.0° |
| H1 | C17 | C15 | H7 | 62.8° | 60.0° |
| H2 | C17 | C15 | H7 | 57.2° | 60.0° |
| H3 | C17 | C15 | H7 | 177.1° | 180.0° |
| H4 | C13 | C14 | H5 | 179.0° | 68.7° |
| H4 | C13 | C14 | H6 | 62.1° | 171.3° |
| H4 | C13 | N18 | H38 | 111.0° | 148.4° |
| H5 | C14 | C15 | H7 | 45.9° | 174.0° |
| H6 | C14 | C15 | H7 | 164.7° | 66.0° |
| H7 | C15 | C16 | H14 | 63.5° | 56.1° |
| H7 | C15 | C16 | H15 | 176.6° | 63.8° |
| H7 | C15 | C16 | H16 | 56.6° | 176.1° |
| H8 | C21 | C22 | H26 | 160.2° | 63.9° |
| H9 | C21 | C22 | H26 | 81.0° | 176.1° |
| H10 | C23 | C24 | H12 | 65.6° | 64.9° |
| H10 | C23 | C22 | H26 | 57.1° | 46.8° |
| H11 | C23 | C24 | H12 | 52.4° | 52.7° |
| H11 | C23 | C22 | H26 | 175.1° | 164.2° |
| H12 | C24 | C25 | H27 | 53.2° | 60.3° |
| H12 | C24 | C25 | H28 | 66.7° | 60.5° |
| H12 | C24 | C30 | H35 | 49.3° | 50.1° |
| H12 | C24 | C30 | H36 | 69.6° | 66.5° |
| H13 | C26 | C25 | H27 | 57.9° | 60.1° |
| H13 | C26 | C25 | H28 | 62.0° | 60.7° |
| H13 | C26 | C27 | H29 | 58.8° | 52.1° |
| H13 | C26 | C27 | H30 | 60.2° | 65.2° |
| H13 | C26 | C28 | H31 | 75.2° | 66.2° |
| H13 | C26 | C28 | H32 | 43.0° | 50.4° |
| H14 | C16 | H15 | H16 | 120.0° | 120.0° |
| H17 | C09 | C08 | H19 | 54.0° | 55.0° |
| H17 | C09 | O10 | H39 | 63.8° | 180.0° |
| H17 | C09 | S1 | O1 | 159.3° | 176.7° |
| H17 | C09 | S1 | O2 | 159.3° | 46.6° |
| H17 | C09 | S1 | O3 | 159.3° | 65.0° |
| S1 | C09 | C08 | H19 | 177.5° | 175.0° |
| S1 | C09 | O10 | H39 | 60.9° | 60.0° |
| 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° |
| H19 | C08 | C07 | H22 | 60.0° | 175.0° |
| H19 | C08 | C07 | H23 | 178.7° | 65.0° |
| H19 | C08 | N11 | H37 | 177.2° | 145.0° |
| H20 | C06 | C07 | H22 | 174.2° | 176.1° |
| H20 | C06 | C07 | H23 | 67.2° | 63.9° |
| H20 | C06 | C05 | H24 | 3.9° | 98.3° |
| H20 | C06 | C05 | H25 | 124.0° | 25.4° |
| H21 | C04 | C05 | H24 | 121.7° | 24.5° |
| H21 | C04 | C05 | H25 | 1.6° | 148.3° |
| H21 | C04 | N03 | H40 | 62.1° | 77.9° |
| H24 | C05 | C04 | H18 | 0.2° | 97.5° |
| H25 | C05 | C04 | H18 | 119.8° | 26.3° |
| H26 | C22 | C27 | H29 | 176.8° | 163.8° |
| H26 | C22 | C27 | H30 | 57.8° | 46.6° |
| H31 | C28 | C29 | H33 | 85.8° | 40.8° |
| H31 | C28 | C29 | H34 | 32.1° | 74.1° |
| H32 | C28 | C29 | H33 | 32.4° | 157.6° |
| H32 | C28 | C29 | H34 | 150.3° | 42.7° |
| H33 | C29 | C30 | H35 | 34.8° | 157.4° |
| H33 | C29 | C30 | H36 | 84.1° | 40.6° |
| H34 | C29 | C30 | H35 | 152.7° | 42.5° |
| H34 | C29 | C30 | H36 | 33.8° | 74.2° |
| O1 | S1 | O2 | O3 | 90.0° | 116.7° |
| O1 | S1 | O3 | H41 | 90.0° | 63.9° |
| O2 | S1 | O3 | H41 | 90.0° | 63.9° |
| H18 | C04 | N03 | H40 | 59.2° | 44.1° |
