TUS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C20 | doub | 1.21Å | 1.23Å | |
| C18 | C13 | sing | 1.53Å | 1.54Å | |
| O05 | C21 | sing | 1.43Å | 1.40Å | |
| C19 | C10 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C20 | C17 | sing | 1.51Å | 1.55Å | |
| O02 | C11 | sing | 1.43Å | 1.41Å | |
| C15 | C16 | sing | 1.55Å | 1.55Å | |
| C15 | C14 | sing | 1.52Å | 1.54Å | |
| C16 | C17 | sing | 1.57Å | 1.60Å | |
| C16 | O06 | sing | 1.44Å | 1.42Å | |
| C13 | C17 | sing | 1.53Å | 1.57Å | |
| C13 | C14 | sing | 1.55Å | 1.58Å | |
| C13 | C12 | sing | 1.52Å | 1.56Å | |
| C08 | C14 | sing | 1.52Å | 1.56Å | |
| C08 | C07 | sing | 1.53Å | 1.51Å | |
| C08 | C09 | sing | 1.54Å | 1.57Å | |
| C17 | N01 | sing | 1.47Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C06 | C05 | sing | 1.52Å | 1.55Å | |
| C10 | C09 | sing | 1.53Å | 1.58Å | |
| C10 | C05 | sing | 1.50Å | 1.60Å | |
| C10 | C01 | sing | 1.49Å | 1.52Å | |
| C11 | C12 | sing | 1.54Å | 1.56Å | |
| C11 | C09 | sing | 1.53Å | 1.59Å | |
| O06 | C22 | sing | 1.34Å | 1.34Å | |
| C05 | C04 | doub | 1.33Å | 1.36Å | |
| N01 | C22 | doub | 1.28Å | 1.30Å | |
| C01 | C02 | doub | 1.32Å | 1.35Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C04 | C03 | sing | 1.47Å | 1.49Å | |
| C02 | C03 | sing | 1.47Å | 1.50Å | |
| C03 | O01 | doub | 1.22Å | 1.26Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C01 | H19 | sing | 1.08Å | 1.08Å | |
| C02 | H21 | sing | 1.08Å | 1.08Å | |
| C04 | H23 | sing | 1.08Å | 1.08Å | |
| C06 | H24 | sing | 1.09Å | 1.10Å | |
| C06 | H25 | sing | 1.09Å | 1.10Å | |
| C07 | H26 | sing | 1.09Å | 1.10Å | |
| C07 | H27 | sing | 1.09Å | 1.10Å | |
| C08 | H28 | sing | 1.09Å | 1.10Å | |
| C09 | H29 | sing | 1.09Å | 1.10Å | |
| O02 | H30 | sing | 0.97Å | 0.95Å | |
| O05 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C20 | C21 | 122.0° | 120.0° |
| O04 | C20 | C17 | 118.9° | 120.0° |
| C18 | C13 | C17 | 109.4° | 110.4° |
| C18 | C13 | C14 | 113.5° | 110.4° |
| C18 | C13 | C12 | 111.6° | 110.9° |
| C13 | C18 | H13 | 109.5° | 109.5° |
| C13 | C18 | H14 | 109.5° | 109.5° |
| C13 | C18 | H15 | 109.5° | 109.4° |
| O05 | C21 | C20 | 109.8° | 109.5° |
| O05 | C21 | H11 | 109.4° | 109.5° |
| O05 | C21 | H12 | 109.4° | 109.5° |
| C21 | O05 | H31 | 109.5° | 114.0° |
| C19 | C10 | C09 | 114.3° | 107.8° |
| C19 | C10 | C05 | 106.3° | 107.9° |
| C19 | C10 | C01 | 110.1° | 107.3° |
| C10 | C19 | H8 | 109.5° | 109.5° |
| C10 | C19 | H9 | 109.5° | 109.4° |
| C10 | C19 | H10 | 109.5° | 109.5° |
| C21 | C20 | C17 | 119.1° | 120.0° |
| C20 | C21 | H11 | 109.4° | 109.4° |
| C20 | C21 | H12 | 109.4° | 109.5° |
| C20 | C17 | C16 | 115.9° | 113.8° |
| C20 | C17 | C13 | 111.7° | 113.4° |
| C20 | C17 | N01 | 105.0° | 114.2° |
| O02 | C11 | C12 | 108.6° | 109.1° |
| O02 | C11 | C09 | 111.6° | 109.1° |
| O02 | C11 | H1 | 109.3° | 108.9° |
| C11 | O02 | H30 | 109.5° | 114.0° |
| C16 | C15 | C14 | 103.5° | 105.5° |
| C15 | C16 | C17 | 106.3° | 106.2° |
| C15 | C16 | O06 | 111.8° | 108.6° |
| C16 | C15 | H5 | 110.9° | 110.3° |
| C16 | C15 | H6 | 110.9° | 110.2° |
| C15 | C16 | H7 | 111.8° | 113.0° |
| C15 | C14 | C13 | 102.9° | 103.3° |
| C15 | C14 | C08 | 117.5° | 116.4° |
| C15 | C14 | H4 | 108.0° | 109.7° |
| C14 | C15 | H5 | 111.0° | 110.2° |
| C14 | C15 | H6 | 111.0° | 110.2° |
| C17 | C16 | O06 | 101.4° | 101.0° |
| C16 | C17 | C13 | 104.6° | 103.0° |
| C16 | C17 | N01 | 102.9° | 101.6° |
| C17 | C16 | H7 | 110.9° | 113.3° |
| C16 | O06 | C22 | 113.0° | 108.1° |
| O06 | C16 | H7 | 113.9° | 113.9° |
| C17 | C13 | C14 | 100.5° | 102.0° |
| C17 | C13 | C12 | 114.5° | 115.8° |
| C13 | C17 | N01 | 116.8° | 109.7° |
| C14 | C13 | C12 | 107.0° | 106.9° |
| C13 | C14 | C08 | 112.4° | 107.6° |
| C13 | C14 | H4 | 107.6° | 109.7° |
| C13 | C12 | C11 | 112.5° | 107.2° |
| C13 | C12 | H2 | 108.7° | 109.9° |
| C13 | C12 | H3 | 108.7° | 110.0° |
| C14 | C08 | C07 | 108.3° | 110.0° |
| C14 | C08 | C09 | 107.2° | 107.4° |
| C08 | C14 | H4 | 107.8° | 109.7° |
| C14 | C08 | H28 | 109.8° | 109.7° |
| C07 | C08 | C09 | 111.5° | 109.6° |
| C08 | C07 | C06 | 110.0° | 109.8° |
| C08 | C07 | H26 | 109.4° | 109.4° |
| C08 | C07 | H27 | 109.3° | 109.4° |
| C07 | C08 | H28 | 110.3° | 109.7° |
| C08 | C09 | C10 | 110.9° | 109.0° |
| C08 | C09 | C11 | 115.4° | 111.6° |
| C09 | C08 | H28 | 109.6° | 110.4° |
| C08 | C09 | H29 | 105.6° | 108.4° |
| C17 | N01 | C22 | 108.0° | 108.9° |
| C07 | C06 | C05 | 108.2° | 108.1° |
| C07 | C06 | H24 | 109.8° | 109.7° |
| C07 | C06 | H25 | 109.8° | 109.8° |
| C06 | C07 | H26 | 109.3° | 109.4° |
| C06 | C07 | H27 | 109.3° | 109.4° |
| C06 | C05 | C10 | 116.5° | 118.0° |
| C06 | C05 | C04 | 124.2° | 118.9° |
| C05 | C06 | H24 | 109.8° | 109.7° |
| C05 | C06 | H25 | 109.8° | 109.8° |
| C09 | C10 | C05 | 105.2° | 109.2° |
| C09 | C10 | C01 | 107.2° | 110.7° |
| C10 | C09 | C11 | 113.0° | 109.4° |
| C10 | C09 | H29 | 105.6° | 109.2° |
| C05 | C10 | C01 | 113.9° | 113.8° |
| C10 | C05 | C04 | 119.2° | 123.1° |
| C10 | C01 | C02 | 123.4° | 124.1° |
| C10 | C01 | H19 | 118.3° | 118.0° |
| C12 | C11 | C09 | 113.0° | 111.7° |
| C12 | C11 | H1 | 107.3° | 109.0° |
| C11 | C12 | H2 | 108.7° | 110.0° |
| C11 | C12 | H3 | 108.7° | 109.9° |
| C09 | C11 | H1 | 106.9° | 109.0° |
| C11 | C09 | H29 | 105.4° | 109.2° |
| O06 | C22 | N01 | 114.5° | 114.3° |
| O06 | C22 | C23 | 122.1° | 122.9° |
| C05 | C04 | C03 | 122.4° | 120.6° |
| C05 | C04 | H23 | 118.9° | 119.8° |
| N01 | C22 | C23 | 123.1° | 122.9° |
| C01 | C02 | C03 | 119.0° | 119.9° |
| C02 | C01 | H19 | 118.3° | 118.0° |
| C01 | C02 | H21 | 120.5° | 120.0° |
| C22 | C23 | H16 | 109.5° | 109.5° |
| C22 | C23 | H17 | 109.5° | 109.5° |
| C22 | C23 | H18 | 109.5° | 109.4° |
| C04 | C03 | C02 | 119.1° | 118.5° |
| C04 | C03 | O01 | 121.1° | 120.8° |
| C03 | C04 | H23 | 118.8° | 119.7° |
| C02 | C03 | O01 | 119.7° | 120.7° |
| C03 | C02 | H21 | 120.5° | 120.1° |
| H2 | C12 | H3 | 109.5° | 109.9° |
| H5 | C15 | H6 | 109.5° | 110.3° |
| H8 | C19 | H9 | 109.4° | 109.5° |
| H8 | C19 | H10 | 109.5° | 109.5° |
| H9 | C19 | H10 | 109.5° | 109.4° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.4° | 109.5° |
| H13 | C18 | H15 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H16 | C23 | H18 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.4° | 109.5° |
| H24 | C06 | H25 | 109.5° | 109.7° |
| H26 | C07 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C20 | C21 | O05 | 23.8° | 0.0° |
| O04 | C20 | C21 | C17 | 177.7° | 180.0° |
| O04 | C20 | C17 | C16 | 19.0° | 85.7° |
| O04 | C20 | C17 | C13 | 100.7° | 31.6° |
| O04 | C20 | C17 | N01 | 131.7° | 158.2° |
| O04 | C20 | C21 | H11 | 143.9° | 120.0° |
| O04 | C20 | C21 | H12 | 96.2° | 120.0° |
| C18 | C13 | C17 | C20 | 39.8° | 46.9° |
| C18 | C13 | C14 | C15 | 69.6° | 73.0° |
| C18 | C13 | C17 | C16 | 86.3° | 76.6° |
| C18 | C13 | C17 | C14 | 119.6° | 117.3° |
| C18 | C13 | C17 | C12 | 126.1° | 127.0° |
| C18 | C13 | C14 | C12 | 123.6° | 120.7° |
| C18 | C13 | C14 | C08 | 57.8° | 50.7° |
| C18 | C13 | C17 | N01 | 160.8° | 175.9° |
| C18 | C13 | C12 | C11 | 67.4° | 55.8° |
| C18 | C13 | C12 | H2 | 53.0° | 175.2° |
| C18 | C13 | C12 | H3 | 172.1° | 63.7° |
| C18 | C13 | C14 | H4 | 176.4° | 170.0° |
| C13 | C18 | H13 | H14 | 120.0° | 120.0° |
| C13 | C18 | H13 | H15 | 120.0° | 120.0° |
| C13 | C18 | H14 | H15 | 120.0° | 120.0° |
| O05 | C21 | C20 | H11 | 120.1° | 120.0° |
| O05 | C21 | C20 | H12 | 120.0° | 120.0° |
| O05 | C21 | C20 | C17 | 158.4° | 180.0° |
| O05 | C21 | H11 | H12 | 119.8° | 120.0° |
| C19 | C10 | C09 | C08 | 61.9° | 62.1° |
| C19 | C10 | C05 | C06 | 67.0° | 64.8° |
| C19 | C10 | C09 | C05 | 116.2° | 116.9° |
| C19 | C10 | C09 | C01 | 122.3° | 117.0° |
| C19 | C10 | C05 | C01 | 121.5° | 118.9° |
| C19 | C10 | C09 | C11 | 69.4° | 60.1° |
| C19 | C10 | C05 | C04 | 110.2° | 115.9° |
| C19 | C10 | C01 | C02 | 100.8° | 116.6° |
| C10 | C19 | H8 | H9 | 120.0° | 120.0° |
| C10 | C19 | H8 | H10 | 120.0° | 120.1° |
| C10 | C19 | H9 | H10 | 120.0° | 120.0° |
| C19 | C10 | C01 | H19 | 79.2° | 63.4° |
| C19 | C10 | C09 | H29 | 175.9° | 179.6° |
| C21 | C20 | C17 | C16 | 158.8° | 94.3° |
| C21 | C20 | C17 | C13 | 81.5° | 148.4° |
| C21 | C20 | C17 | N01 | 46.1° | 21.8° |
| C20 | C21 | H11 | H12 | 119.9° | 120.0° |
| C20 | C21 | O05 | H31 | 10.0° | 180.0° |
| C20 | C17 | C16 | C15 | 132.1° | 146.0° |
| C20 | C17 | C16 | C13 | 123.5° | 123.2° |
| C20 | C17 | C16 | N01 | 114.0° | 123.2° |
| C20 | C17 | C16 | O06 | 111.0° | 100.8° |
| C20 | C17 | C13 | N01 | 120.9° | 129.0° |
| C20 | C17 | C13 | C14 | 159.5° | 164.2° |
| C20 | C17 | C13 | C12 | 86.3° | 80.1° |
| C20 | C17 | N01 | C22 | 121.0° | 108.6° |
| C20 | C17 | C16 | H7 | 10.3° | 21.4° |
| C17 | C20 | C21 | H11 | 38.4° | 60.0° |
| C17 | C20 | C21 | H12 | 81.5° | 60.0° |
| O02 | C11 | C12 | C13 | 76.0° | 62.8° |
| O02 | C11 | C09 | C08 | 77.9° | 66.2° |
| O02 | C11 | C09 | C10 | 51.2° | 54.5° |
| O02 | C11 | C12 | C09 | 124.4° | 120.6° |
| O02 | C11 | C12 | H1 | 118.0° | 118.8° |
| O02 | C11 | C09 | H1 | 119.4° | 118.8° |
| O02 | C11 | C12 | H2 | 44.4° | 177.7° |
| O02 | C11 | C12 | H3 | 163.5° | 56.7° |
| O02 | C11 | C09 | H29 | 166.0° | 174.0° |
| C16 | C15 | C14 | H5 | 119.0° | 119.0° |
| C16 | C15 | C14 | H6 | 119.0° | 119.0° |
| C15 | C16 | C17 | O06 | 117.0° | 113.2° |
| C15 | C16 | C17 | H7 | 121.7° | 124.6° |
| C15 | C16 | O06 | H7 | 127.9° | 126.8° |
| C15 | C16 | C17 | C13 | 8.6° | 22.8° |
| C16 | C15 | C14 | C13 | 42.1° | 29.8° |
| C16 | C15 | C14 | C08 | 166.2° | 147.5° |
| C15 | C16 | C17 | N01 | 113.9° | 90.8° |
| C15 | C16 | O06 | C22 | 108.2° | 87.5° |
| C16 | C15 | C14 | H4 | 71.5° | 87.2° |
| C16 | C15 | H5 | H6 | 122.8° | 122.0° |
| C14 | C15 | C16 | C17 | 20.5° | 4.5° |
| C14 | C15 | C16 | O06 | 89.3° | 103.4° |
| C15 | C14 | C13 | C17 | 47.0° | 44.3° |
| C15 | C14 | C13 | C08 | 127.4° | 123.7° |
| C15 | C14 | C13 | H4 | 113.9° | 117.0° |
| C15 | C14 | C13 | C12 | 166.8° | 166.3° |
| C15 | C14 | C08 | H4 | 122.3° | 125.4° |
| C15 | C14 | C08 | C07 | 59.4° | 61.5° |
| C15 | C14 | C08 | C09 | 179.8° | 179.3° |
| C14 | C15 | H5 | H6 | 122.8° | 121.9° |
| C14 | C15 | C16 | H7 | 141.7° | 129.3° |
| C15 | C14 | C08 | H28 | 61.1° | 59.3° |
| C17 | C16 | O06 | H7 | 119.2° | 121.8° |
| C16 | C17 | C13 | N01 | 112.9° | 107.6° |
| C16 | C17 | C13 | C14 | 33.3° | 40.8° |
| C16 | C17 | C13 | C12 | 147.6° | 156.5° |
| C17 | C16 | O06 | C22 | 4.7° | 23.9° |
| C16 | C17 | N01 | C22 | 0.7° | 14.3° |
| C17 | C16 | C15 | H5 | 139.5° | 114.5° |
| C17 | C16 | C15 | H6 | 98.5° | 123.5° |
| O06 | C16 | C17 | C13 | 125.6° | 136.0° |
| O06 | C16 | C17 | N01 | 3.1° | 22.4° |
| C16 | O06 | C22 | N01 | 4.8° | 17.0° |
| C16 | O06 | C22 | C23 | 179.8° | 163.0° |
| O06 | C16 | C15 | H5 | 29.7° | 137.6° |
| O06 | C16 | C15 | H6 | 151.7° | 15.6° |
| C17 | C13 | C14 | C12 | 119.8° | 122.0° |
| C17 | C13 | C14 | C08 | 174.4° | 168.0° |
| C17 | C13 | C12 | C11 | 167.7° | 177.5° |
| C13 | C17 | N01 | C22 | 114.6° | 122.8° |
| C17 | C13 | C12 | H2 | 71.9° | 58.0° |
| C17 | C13 | C12 | H3 | 47.2° | 63.0° |
| C17 | C13 | C14 | H4 | 66.9° | 72.7° |
| C13 | C17 | C16 | H7 | 113.1° | 101.8° |
| C17 | C13 | C18 | H13 | 180.0° | 79.0° |
| C17 | C13 | C18 | H14 | 60.0° | 161.0° |
| C17 | C13 | C18 | H15 | 60.0° | 41.0° |
| C13 | C14 | C08 | H4 | 118.5° | 119.3° |
| C13 | C14 | C08 | C07 | 178.7° | 176.8° |
| C13 | C14 | C08 | C09 | 60.9° | 64.0° |
| C14 | C13 | C17 | N01 | 79.6° | 66.8° |
| C14 | C13 | C12 | C11 | 57.3° | 64.7° |
| C14 | C13 | C12 | H2 | 177.8° | 54.8° |
| C14 | C13 | C12 | H3 | 63.1° | 175.9° |
| C13 | C14 | C15 | H5 | 161.1° | 89.2° |
| C13 | C14 | C15 | H6 | 76.9° | 148.8° |
| C14 | C13 | C18 | H13 | 68.7° | 169.0° |
| C14 | C13 | C18 | H14 | 51.3° | 49.0° |
| C14 | C13 | C18 | H15 | 171.3° | 71.0° |
| C13 | C14 | C08 | H28 | 58.1° | 56.0° |
| C12 | C13 | C14 | C08 | 65.8° | 70.0° |
| C12 | C13 | C17 | N01 | 34.7° | 48.9° |
| C13 | C12 | C11 | H2 | 120.4° | 119.5° |
| C13 | C12 | C11 | H3 | 120.5° | 119.5° |
| C13 | C12 | C11 | C09 | 48.4° | 57.8° |
| C13 | C12 | C11 | H1 | 166.0° | 178.4° |
| C13 | C12 | H2 | H3 | 118.6° | 121.1° |
| C12 | C13 | C14 | H4 | 52.8° | 49.3° |
| C12 | C13 | C18 | H13 | 52.3° | 50.7° |
| C12 | C13 | C18 | H14 | 172.3° | 69.3° |
| C12 | C13 | C18 | H15 | 67.7° | 170.7° |
| C14 | C08 | C07 | C09 | 117.7° | 117.8° |
| C14 | C08 | C07 | H28 | 120.2° | 120.8° |
| C14 | C08 | C09 | H28 | 119.1° | 119.6° |
| C14 | C08 | C07 | C06 | 179.7° | 178.5° |
| C14 | C08 | C09 | C10 | 179.6° | 177.7° |
| C14 | C08 | C09 | C11 | 49.5° | 56.7° |
| C08 | C14 | C15 | H5 | 74.7° | 28.4° |
| C08 | C14 | C15 | H6 | 47.2° | 93.6° |
| C14 | C08 | C07 | H26 | 59.6° | 58.5° |
| C14 | C08 | C07 | H27 | 60.2° | 61.4° |
| C14 | C08 | C09 | H29 | 66.5° | 63.6° |
| C07 | C08 | C09 | H28 | 122.5° | 120.9° |
| C08 | C07 | C06 | H26 | 120.1° | 120.1° |
| C08 | C07 | C06 | H27 | 120.1° | 120.1° |
| C08 | C07 | C06 | C05 | 56.9° | 55.1° |
| C07 | C08 | C09 | C10 | 62.1° | 62.9° |
| C07 | C08 | C09 | C11 | 167.9° | 176.2° |
| C07 | C08 | C14 | H4 | 62.9° | 63.9° |
| C08 | C07 | C06 | H24 | 176.6° | 64.5° |
| C08 | C07 | C06 | H25 | 62.9° | 174.8° |
| C08 | C07 | H26 | H27 | 119.8° | 119.8° |
| C07 | C08 | C09 | H29 | 51.9° | 55.9° |
| C09 | C08 | C07 | C06 | 62.0° | 63.6° |
| C08 | C09 | C10 | C11 | 131.3° | 122.3° |
| C08 | C09 | C10 | H29 | 114.0° | 118.2° |
| C08 | C09 | C10 | C05 | 54.2° | 54.8° |
| C08 | C09 | C10 | C01 | 175.8° | 179.1° |
| C08 | C09 | C11 | C12 | 44.9° | 54.4° |
| C08 | C09 | C11 | H29 | 116.1° | 119.8° |
| C08 | C09 | C11 | H1 | 162.7° | 174.9° |
| C09 | C08 | C14 | H4 | 57.6° | 55.3° |
| C09 | C08 | C07 | H26 | 58.1° | 176.3° |
| C09 | C08 | C07 | H27 | 177.9° | 56.5° |
| C17 | N01 | C22 | O06 | 2.3° | 0.5° |
| C17 | N01 | C22 | C23 | 177.2° | 179.5° |
| N01 | C17 | C16 | H7 | 124.4° | 144.6° |
| C07 | C06 | C05 | H24 | 119.8° | 119.6° |
| C07 | C06 | C05 | H25 | 119.8° | 119.7° |
| C07 | C06 | C05 | C10 | 56.3° | 51.8° |
| C07 | C06 | C05 | C04 | 126.6° | 127.5° |
| C07 | C06 | H24 | H25 | 120.6° | 120.7° |
| C06 | C07 | H26 | H27 | 119.7° | 119.9° |
| C06 | C07 | C08 | H28 | 60.1° | 57.7° |
| C06 | C05 | C10 | C09 | 54.5° | 52.1° |
| C06 | C05 | C10 | C04 | 177.2° | 179.3° |
| C06 | C05 | C10 | C01 | 171.6° | 176.3° |
| C06 | C05 | C04 | C03 | 176.4° | 178.4° |
| C06 | C05 | C04 | H23 | 3.6° | 1.6° |
| C05 | C06 | H24 | H25 | 120.6° | 120.7° |
| C05 | C06 | C07 | H26 | 63.2° | 175.2° |
| C05 | C06 | C07 | H27 | 177.0° | 65.0° |
| C09 | C10 | C05 | C01 | 117.0° | 124.2° |
| C10 | C09 | C11 | C12 | 174.0° | 175.1° |
| C10 | C09 | C11 | H29 | 114.8° | 119.5° |
| C09 | C10 | C05 | C04 | 128.2° | 127.2° |
| C09 | C10 | C01 | C02 | 134.4° | 126.2° |
| C10 | C09 | C11 | H1 | 68.2° | 64.3° |
| C09 | C10 | C19 | H8 | 180.0° | 78.4° |
| C09 | C10 | C19 | H9 | 60.0° | 161.6° |
| C09 | C10 | C19 | H10 | 60.0° | 41.7° |
| C09 | C10 | C01 | H19 | 45.6° | 53.9° |
| C10 | C09 | C08 | H28 | 60.4° | 58.1° |
| C05 | C10 | C09 | C11 | 174.5° | 177.1° |
| C05 | C10 | C01 | C02 | 18.5° | 2.7° |
| C10 | C05 | C04 | C03 | 6.6° | 0.8° |
| C05 | C10 | C19 | H8 | 64.5° | 163.8° |
| C05 | C10 | C19 | H9 | 55.5° | 43.8° |
| C05 | C10 | C19 | H10 | 175.5° | 76.1° |
| C05 | C10 | C01 | H19 | 161.5° | 177.3° |
| C10 | C05 | C04 | H23 | 173.4° | 179.1° |
| C10 | C05 | C06 | H24 | 176.1° | 67.8° |
| C10 | C05 | C06 | H25 | 63.5° | 171.5° |
| C05 | C10 | C09 | H29 | 59.8° | 63.4° |
| C01 | C10 | C09 | C11 | 52.9° | 56.8° |
| C01 | C10 | C05 | C04 | 11.2° | 2.9° |
| C10 | C01 | C02 | H19 | 180.0° | 180.0° |
| C10 | C01 | C02 | C03 | 19.8° | 0.3° |
| C01 | C10 | C19 | H8 | 59.4° | 40.8° |
| C01 | C10 | C19 | H9 | 179.3° | 79.2° |
| C01 | C10 | C19 | H10 | 60.6° | 160.8° |
| C10 | C01 | C02 | H21 | 160.2° | 179.7° |
| C01 | C10 | C09 | H29 | 61.8° | 62.7° |
| C12 | C11 | C09 | H1 | 117.8° | 120.6° |
| C11 | C12 | H2 | H3 | 118.7° | 121.1° |
| C12 | C11 | C09 | H29 | 71.2° | 65.4° |
| C12 | C11 | O02 | H30 | 180.0° | 60.0° |
| C09 | C11 | C12 | H2 | 168.8° | 61.6° |
| C09 | C11 | C12 | H3 | 72.1° | 177.3° |
| C11 | C09 | C08 | H28 | 69.6° | 62.9° |
| C09 | C11 | O02 | H30 | 54.7° | 177.8° |
| O06 | C22 | N01 | C23 | 175.0° | 180.0° |
| C22 | O06 | C16 | H7 | 123.9° | 145.7° |
| O06 | C22 | C23 | H16 | 0.0° | 90.0° |
| O06 | C22 | C23 | H17 | 120.0° | 30.0° |
| O06 | C22 | C23 | H18 | 120.0° | 150.0° |
| C05 | C04 | C03 | H23 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 7.0° | 1.7° |
| C05 | C04 | C03 | O01 | 168.3° | 178.2° |
| C04 | C05 | C06 | H24 | 6.8° | 112.9° |
| C04 | C05 | C06 | H25 | 113.6° | 7.8° |
| N01 | C22 | C23 | H16 | 174.6° | 89.9° |
| N01 | C22 | C23 | H17 | 65.4° | 150.0° |
| N01 | C22 | C23 | H18 | 54.6° | 30.0° |
| C01 | C02 | C03 | C04 | 13.3° | 2.0° |
| C01 | C02 | C03 | H21 | 180.0° | 180.0° |
| C01 | C02 | C03 | O01 | 162.1° | 178.0° |
| C22 | C23 | H16 | H17 | 120.0° | 120.0° |
| C22 | C23 | H16 | H18 | 120.0° | 119.9° |
| C22 | C23 | H17 | H18 | 120.0° | 120.0° |
| C04 | C03 | C02 | O01 | 175.3° | 180.0° |
| C04 | C03 | C02 | H21 | 166.7° | 178.0° |
| C03 | C02 | C01 | H19 | 160.1° | 179.7° |
| C02 | C03 | C04 | H23 | 173.0° | 178.3° |
| O01 | C03 | C02 | H21 | 18.0° | 2.1° |
| O01 | C03 | C04 | H23 | 11.7° | 1.7° |
| H1 | C11 | C12 | H2 | 73.6° | 58.9° |
| H1 | C11 | C12 | H3 | 45.5° | 62.2° |
| H1 | C11 | C09 | H29 | 46.6° | 55.2° |
| H1 | C11 | O02 | H30 | 63.3° | 58.9° |
| H4 | C14 | C15 | H5 | 47.5° | 153.8° |
| H4 | C14 | C15 | H6 | 169.4° | 31.8° |
| H4 | C14 | C08 | H28 | 176.6° | 175.3° |
| H5 | C15 | C16 | H7 | 99.3° | 10.3° |
| H6 | C15 | C16 | H7 | 22.6° | 111.7° |
| H8 | C19 | H9 | H10 | 120.0° | 120.0° |
| H11 | C21 | O05 | H31 | 130.1° | 60.0° |
| H12 | C21 | O05 | H31 | 110.0° | 60.0° |
| H13 | C18 | H14 | H15 | 120.0° | 120.0° |
| H16 | C23 | H17 | H18 | 120.0° | 120.0° |
| H19 | C01 | C02 | H21 | 19.9° | 0.3° |
| H24 | C06 | C07 | H26 | 56.5° | 55.6° |
| H24 | C06 | C07 | H27 | 63.3° | 175.4° |
| H25 | C06 | C07 | H26 | 177.0° | 65.1° |
| H25 | C06 | C07 | H27 | 57.2° | 54.7° |
| H26 | C07 | C08 | H28 | 179.8° | 62.3° |
| H27 | C07 | C08 | H28 | 60.0° | 177.9° |
| H28 | C08 | C09 | H29 | 174.4° | 176.8° |
