A1C96
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C03 | sing | 1.43Å | 1.50Å | |
| O25 | C24 | sing | 1.43Å | 1.40Å | |
| O01 | C02 | sing | 1.43Å | 1.47Å | |
| C24 | C23 | sing | 1.53Å | 1.57Å | |
| C03 | C02 | sing | 1.55Å | 1.27Å | |
| C03 | C04 | sing | 1.54Å | 1.57Å | |
| C02 | C15 | sing | 1.55Å | 1.65Å | |
| C23 | C26 | sing | 1.53Å | 1.47Å | |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C04 | N05 | sing | 1.46Å | 1.33Å | |
| C04 | O13 | sing | 1.43Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | O13 | sing | 1.44Å | 1.30Å | |
| N05 | C10 | sing | 1.37Å | 1.46Å | |
| N05 | C06 | sing | 1.35Å | 1.49Å | |
| C26 | O27 | sing | 1.43Å | 1.50Å | |
| C26 | C29 | sing | 1.53Å | 1.47Å | |
| C16 | O17 | sing | 1.43Å | 1.44Å | |
| C10 | C09 | doub | 1.35Å | 1.49Å | |
| O12 | C06 | doub | 1.22Å | 1.18Å | |
| C22 | N21 | sing | 1.47Å | 1.44Å | |
| C06 | N07 | sing | 1.35Å | 1.49Å | |
| C09 | C08 | sing | 1.42Å | 1.49Å | |
| N21 | C20 | sing | 1.47Å | 1.22Å | |
| N21 | C28 | sing | 1.47Å | 1.45Å | |
| N07 | C08 | sing | 1.35Å | 1.45Å | |
| C08 | O11 | doub | 1.22Å | 1.18Å | |
| C18 | O17 | sing | 1.43Å | 1.43Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C20 | C19 | sing | 1.53Å | 1.57Å | |
| C29 | O30 | sing | 1.43Å | 1.44Å | |
| C29 | C28 | sing | 1.53Å | 1.56Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| N07 | H24 | sing | 0.97Å | 1.00Å | |
| O01 | H26 | sing | 0.97Å | 0.95Å | |
| O14 | H27 | sing | 0.97Å | 0.95Å | |
| O25 | H28 | sing | 0.97Å | 0.95Å | |
| O27 | H29 | sing | 0.97Å | 0.95Å | |
| O30 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C03 | C02 | 110.5° | 110.8° |
| O14 | C03 | C04 | 110.6° | 110.8° |
| O14 | C03 | H2 | 109.6° | 110.9° |
| C03 | O14 | H27 | 109.5° | 114.0° |
| O25 | C24 | C23 | 108.1° | 109.5° |
| O25 | C24 | H18 | 109.8° | 109.5° |
| O25 | C24 | H19 | 109.8° | 109.5° |
| C24 | O25 | H28 | 109.5° | 113.9° |
| O01 | C02 | C03 | 109.7° | 111.2° |
| O01 | C02 | C15 | 109.8° | 111.1° |
| O01 | C02 | H1 | 110.3° | 111.0° |
| C02 | O01 | H26 | 109.5° | 114.0° |
| C24 | C23 | C26 | 109.5° | 109.5° |
| C24 | C23 | C22 | 106.7° | 109.5° |
| C24 | C23 | H17 | 108.2° | 109.5° |
| C23 | C24 | H18 | 109.8° | 109.4° |
| C23 | C24 | H19 | 109.8° | 109.5° |
| C02 | C03 | C04 | 103.9° | 102.3° |
| C03 | C02 | C15 | 105.3° | 100.9° |
| C03 | C02 | H1 | 113.7° | 111.1° |
| C02 | C03 | H2 | 113.4° | 110.9° |
| C03 | C04 | N05 | 112.0° | 109.8° |
| C03 | C04 | O13 | 105.2° | 107.6° |
| C04 | C03 | H2 | 108.7° | 110.9° |
| C03 | C04 | H3 | 107.9° | 109.8° |
| C02 | C15 | C16 | 111.4° | 110.3° |
| C02 | C15 | O13 | 107.5° | 105.2° |
| C15 | C02 | H1 | 107.9° | 111.1° |
| C02 | C15 | H6 | 106.8° | 110.3° |
| C26 | C23 | C22 | 114.5° | 109.3° |
| C23 | C26 | O27 | 108.2° | 109.5° |
| C23 | C26 | C29 | 117.1° | 109.1° |
| C26 | C23 | H17 | 109.5° | 109.5° |
| C23 | C26 | H20 | 108.1° | 109.5° |
| C23 | C22 | N21 | 110.0° | 109.5° |
| C23 | C22 | H15 | 109.3° | 109.4° |
| C23 | C22 | H16 | 109.3° | 109.5° |
| C22 | C23 | H17 | 108.4° | 109.5° |
| N05 | C04 | O13 | 111.8° | 109.9° |
| C04 | N05 | C10 | 118.3° | 119.7° |
| C04 | N05 | C06 | 122.3° | 119.7° |
| N05 | C04 | H3 | 111.2° | 109.9° |
| C04 | O13 | C15 | 106.1° | 110.0° |
| O13 | C04 | H3 | 108.3° | 109.9° |
| C16 | C15 | O13 | 111.0° | 110.3° |
| C15 | C16 | O17 | 109.9° | 109.5° |
| C16 | C15 | H6 | 108.4° | 110.3° |
| C15 | C16 | H7 | 109.4° | 109.5° |
| C15 | C16 | H8 | 109.4° | 109.5° |
| O13 | C15 | H6 | 111.6° | 110.4° |
| C10 | N05 | C06 | 119.4° | 120.6° |
| N05 | C10 | C09 | 120.6° | 119.7° |
| N05 | C10 | H5 | 119.7° | 120.1° |
| N05 | C06 | O12 | 121.3° | 119.5° |
| N05 | C06 | N07 | 120.1° | 121.0° |
| O27 | C26 | C29 | 107.3° | 109.5° |
| O27 | C26 | H20 | 107.7° | 109.5° |
| C26 | O27 | H29 | 109.5° | 114.0° |
| C26 | C29 | O30 | 108.5° | 109.5° |
| C26 | C29 | C28 | 116.6° | 109.2° |
| C29 | C26 | H20 | 108.1° | 109.6° |
| C26 | C29 | H23 | 107.8° | 109.5° |
| C16 | O17 | C18 | 116.8° | 114.0° |
| O17 | C16 | H7 | 109.4° | 109.4° |
| O17 | C16 | H8 | 109.4° | 109.5° |
| C10 | C09 | C08 | 119.8° | 119.1° |
| C10 | C09 | H4 | 120.1° | 120.5° |
| C09 | C10 | H5 | 119.7° | 120.2° |
| O12 | C06 | N07 | 118.5° | 119.5° |
| C22 | N21 | C20 | 115.8° | 111.0° |
| C22 | N21 | C28 | 112.9° | 111.2° |
| N21 | C22 | H15 | 109.3° | 109.5° |
| N21 | C22 | H16 | 109.4° | 109.5° |
| C06 | N07 | C08 | 120.3° | 120.3° |
| C06 | N07 | H24 | 119.9° | 119.9° |
| C09 | C08 | N07 | 119.9° | 119.4° |
| C09 | C08 | O11 | 120.1° | 120.3° |
| C08 | C09 | H4 | 120.1° | 120.4° |
| C20 | N21 | C28 | 114.0° | 111.0° |
| N21 | C20 | C19 | 116.1° | 109.5° |
| N21 | C20 | H13 | 107.8° | 109.5° |
| N21 | C20 | H14 | 107.8° | 109.4° |
| N21 | C28 | C29 | 112.7° | 109.5° |
| N21 | C28 | H21 | 108.7° | 109.5° |
| N21 | C28 | H22 | 108.6° | 109.5° |
| N07 | C08 | O11 | 120.1° | 120.3° |
| C08 | N07 | H24 | 119.8° | 119.9° |
| O17 | C18 | C19 | 107.0° | 109.5° |
| O17 | C18 | H9 | 110.1° | 109.5° |
| O17 | C18 | H10 | 110.1° | 109.5° |
| C18 | C19 | C20 | 109.4° | 109.5° |
| C19 | C18 | H9 | 110.1° | 109.5° |
| C19 | C18 | H10 | 110.1° | 109.5° |
| C18 | C19 | H11 | 109.5° | 109.5° |
| C18 | C19 | H12 | 109.5° | 109.5° |
| C20 | C19 | H11 | 109.5° | 109.5° |
| C20 | C19 | H12 | 109.5° | 109.5° |
| C19 | C20 | H13 | 107.8° | 109.5° |
| C19 | C20 | H14 | 107.8° | 109.5° |
| O30 | C29 | C28 | 109.0° | 109.5° |
| O30 | C29 | H23 | 108.1° | 109.5° |
| C29 | O30 | H30 | 109.5° | 114.0° |
| C29 | C28 | H21 | 108.7° | 109.5° |
| C29 | C28 | H22 | 108.7° | 109.4° |
| C28 | C29 | H23 | 106.7° | 109.5° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.4° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.4° | 109.5° |
| H21 | C28 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C03 | C02 | O01 | 34.3° | 34.4° |
| O14 | C03 | C02 | C04 | 118.7° | 118.2° |
| O14 | C03 | C02 | H2 | 123.5° | 123.6° |
| O14 | C03 | C04 | H2 | 120.4° | 123.6° |
| O14 | C03 | C02 | C15 | 152.4° | 152.3° |
| O14 | C03 | C04 | N05 | 90.8° | 101.0° |
| O14 | C03 | C04 | O13 | 147.4° | 139.5° |
| O14 | C03 | C02 | H1 | 89.7° | 89.8° |
| O14 | C03 | C04 | H3 | 31.9° | 19.9° |
| O25 | C24 | C23 | H18 | 119.8° | 120.0° |
| O25 | C24 | C23 | H19 | 119.8° | 120.1° |
| O25 | C24 | C23 | C26 | 118.1° | 175.0° |
| O25 | C24 | C23 | C22 | 117.5° | 65.2° |
| O25 | C24 | C23 | H17 | 1.1° | 54.9° |
| O25 | C24 | H18 | H19 | 120.6° | 120.0° |
| O01 | C02 | C03 | C15 | 118.1° | 117.9° |
| O01 | C02 | C03 | H1 | 124.0° | 124.2° |
| O01 | C02 | C03 | C04 | 84.3° | 83.8° |
| O01 | C02 | C15 | H1 | 120.2° | 124.2° |
| O01 | C02 | C15 | C16 | 35.1° | 37.4° |
| O01 | C02 | C15 | O13 | 86.7° | 81.5° |
| O01 | C02 | C03 | H2 | 157.8° | 158.0° |
| O01 | C02 | C15 | H6 | 153.3° | 159.5° |
| C24 | C23 | C26 | C22 | 119.7° | 119.9° |
| C24 | C23 | C26 | H17 | 118.4° | 120.1° |
| C24 | C23 | C22 | H17 | 116.3° | 120.1° |
| C24 | C23 | C26 | O27 | 106.5° | 62.5° |
| C24 | C23 | C26 | C29 | 132.2° | 177.6° |
| C24 | C23 | C22 | N21 | 83.9° | 179.1° |
| C24 | C23 | C22 | H15 | 156.1° | 60.9° |
| C24 | C23 | C22 | H16 | 36.2° | 59.2° |
| C23 | C24 | H18 | H19 | 120.6° | 120.0° |
| C24 | C23 | C26 | H20 | 9.8° | 57.6° |
| C23 | C24 | O25 | H28 | 180.0° | 180.0° |
| C02 | C03 | C04 | H2 | 121.0° | 118.2° |
| C03 | C02 | C15 | H1 | 121.7° | 117.9° |
| C02 | C03 | C04 | N05 | 150.6° | 140.9° |
| C02 | C03 | C04 | O13 | 28.8° | 21.4° |
| C03 | C02 | C15 | C16 | 153.2° | 155.4° |
| C03 | C02 | C15 | O13 | 31.3° | 36.4° |
| C02 | C03 | C04 | H3 | 86.7° | 98.2° |
| C03 | C02 | C15 | H6 | 88.6° | 82.6° |
| C03 | C02 | O01 | H26 | 180.0° | 68.4° |
| C02 | C03 | O14 | H27 | 180.0° | 61.5° |
| C04 | C03 | C02 | C15 | 33.8° | 34.1° |
| C03 | C04 | N05 | O13 | 117.9° | 118.1° |
| C03 | C04 | N05 | H3 | 120.9° | 120.9° |
| C03 | C04 | O13 | H3 | 115.2° | 119.6° |
| C03 | C04 | O13 | C15 | 8.1° | 1.7° |
| C03 | C04 | N05 | C10 | 109.4° | 115.0° |
| C03 | C04 | N05 | C06 | 71.0° | 65.0° |
| C04 | C03 | C02 | H1 | 151.7° | 152.1° |
| C04 | C03 | O14 | H27 | 65.4° | 174.3° |
| C02 | C15 | O13 | C04 | 10.8° | 24.4° |
| C02 | C15 | C16 | O13 | 119.8° | 115.8° |
| C02 | C15 | C16 | H6 | 117.3° | 122.1° |
| C02 | C15 | O13 | H6 | 116.9° | 119.0° |
| C02 | C15 | C16 | O17 | 150.2° | 175.0° |
| C15 | C02 | C03 | H2 | 84.0° | 84.1° |
| C02 | C15 | C16 | H7 | 89.7° | 65.0° |
| C02 | C15 | C16 | H8 | 30.2° | 54.9° |
| C15 | C02 | O01 | H26 | 64.7° | 180.0° |
| C26 | C23 | C22 | H17 | 122.5° | 120.0° |
| C23 | C26 | O27 | C29 | 127.2° | 119.6° |
| C23 | C26 | O27 | H20 | 116.6° | 120.2° |
| C23 | C26 | C29 | H20 | 122.3° | 120.0° |
| C26 | C23 | C22 | N21 | 37.4° | 59.2° |
| C23 | C26 | C29 | O30 | 160.1° | 177.6° |
| C23 | C26 | C29 | C28 | 36.7° | 57.7° |
| C26 | C23 | C22 | H15 | 82.7° | 179.2° |
| C26 | C23 | C22 | H16 | 157.5° | 60.7° |
| C26 | C23 | C24 | H18 | 122.1° | 55.0° |
| C26 | C23 | C24 | H19 | 1.7° | 65.0° |
| C23 | C26 | C29 | H23 | 83.1° | 62.3° |
| C23 | C26 | O27 | H29 | 180.0° | 180.0° |
| C22 | C23 | C26 | O27 | 133.8° | 177.6° |
| C22 | C23 | C26 | C29 | 12.5° | 57.7° |
| C23 | C22 | N21 | H15 | 120.1° | 120.0° |
| C23 | C22 | N21 | H16 | 120.1° | 120.0° |
| C23 | C22 | N21 | C20 | 160.0° | 62.4° |
| C23 | C22 | N21 | C28 | 66.0° | 61.8° |
| C23 | C22 | H15 | H16 | 119.7° | 120.0° |
| C22 | C23 | C24 | H18 | 2.3° | 174.8° |
| C22 | C23 | C24 | H19 | 122.7° | 54.8° |
| C22 | C23 | C26 | H20 | 109.8° | 62.3° |
| N05 | C04 | O13 | H3 | 122.9° | 121.0° |
| N05 | C04 | O13 | C15 | 129.9° | 117.8° |
| C04 | N05 | C10 | C06 | 179.6° | 179.9° |
| C04 | N05 | C10 | C09 | 179.8° | 179.9° |
| C04 | N05 | C06 | O12 | 0.4° | 0.2° |
| C04 | N05 | C06 | N07 | 179.7° | 179.9° |
| N05 | C04 | C03 | H2 | 29.5° | 22.6° |
| C04 | N05 | C10 | H5 | 0.2° | 0.0° |
| C04 | O13 | C15 | C16 | 132.9° | 143.4° |
| O13 | C04 | N05 | C10 | 132.7° | 126.9° |
| O13 | C04 | N05 | C06 | 46.9° | 53.1° |
| O13 | C04 | C03 | H2 | 92.2° | 96.9° |
| C04 | O13 | C15 | H6 | 106.1° | 94.5° |
| C16 | C15 | O13 | H6 | 121.1° | 122.1° |
| C15 | C16 | O17 | H7 | 120.1° | 120.0° |
| C15 | C16 | O17 | H8 | 120.0° | 120.0° |
| C15 | C16 | O17 | C18 | 26.0° | 180.0° |
| C16 | C15 | C02 | H1 | 85.1° | 86.7° |
| C15 | C16 | H7 | H8 | 119.8° | 120.0° |
| O13 | C15 | C16 | O17 | 90.0° | 69.2° |
| O13 | C15 | C02 | H1 | 153.0° | 154.4° |
| C15 | O13 | C04 | H3 | 107.2° | 121.2° |
| O13 | C15 | C16 | H7 | 30.1° | 50.7° |
| O13 | C15 | C16 | H8 | 150.0° | 170.7° |
| N05 | C10 | C09 | H5 | 180.0° | 180.0° |
| C10 | N05 | C06 | O12 | 179.9° | 179.7° |
| C10 | N05 | C06 | N07 | 0.2° | 0.0° |
| N05 | C10 | C09 | C08 | 0.2° | 0.0° |
| C10 | N05 | C04 | H3 | 11.5° | 5.8° |
| N05 | C10 | C09 | H4 | 179.8° | 179.9° |
| C06 | N05 | C10 | C09 | 0.2° | 0.0° |
| N05 | C06 | O12 | N07 | 179.9° | 179.7° |
| N05 | C06 | N07 | C08 | 0.1° | 0.0° |
| C06 | N05 | C04 | H3 | 168.1° | 174.1° |
| C06 | N05 | C10 | H5 | 179.8° | 180.0° |
| N05 | C06 | N07 | H24 | 179.9° | 180.0° |
| O27 | C26 | C29 | H20 | 115.9° | 120.2° |
| O27 | C26 | C29 | O30 | 78.1° | 62.5° |
| O27 | C26 | C29 | C28 | 158.5° | 177.5° |
| O27 | C26 | C23 | H17 | 11.9° | 57.6° |
| O27 | C26 | C29 | H23 | 38.7° | 57.6° |
| C26 | C29 | C28 | N21 | 9.9° | 59.2° |
| C26 | C29 | O30 | C28 | 127.9° | 119.8° |
| C26 | C29 | O30 | H23 | 116.6° | 120.1° |
| C26 | C29 | C28 | H23 | 120.4° | 119.9° |
| C29 | C26 | C23 | H17 | 109.4° | 62.3° |
| C26 | C29 | C28 | H21 | 130.4° | 60.9° |
| C26 | C29 | C28 | H22 | 110.6° | 179.2° |
| C29 | C26 | O27 | H29 | 52.8° | 60.3° |
| C26 | C29 | O30 | H30 | 180.0° | 179.9° |
| C16 | O17 | C18 | C19 | 153.7° | 180.0° |
| O17 | C16 | C15 | H6 | 33.0° | 52.9° |
| O17 | C16 | H7 | H8 | 119.8° | 120.0° |
| C16 | O17 | C18 | H9 | 34.1° | 60.0° |
| C16 | O17 | C18 | H10 | 86.7° | 60.0° |
| C10 | C09 | C08 | H4 | 180.0° | 179.9° |
| C10 | C09 | C08 | N07 | 0.1° | 0.0° |
| C10 | C09 | C08 | O11 | 180.0° | 179.9° |
| O12 | C06 | N07 | C08 | 180.0° | 179.7° |
| O12 | C06 | N07 | H24 | 0.0° | 0.3° |
| C22 | N21 | C20 | C28 | 133.5° | 124.3° |
| C22 | N21 | C20 | C19 | 27.6° | 170.0° |
| C22 | N21 | C28 | C29 | 41.5° | 61.8° |
| C22 | N21 | C20 | H13 | 93.4° | 49.9° |
| C22 | N21 | C20 | H14 | 148.6° | 70.0° |
| N21 | C22 | H15 | H16 | 119.8° | 120.0° |
| N21 | C22 | C23 | H17 | 159.9° | 60.8° |
| C22 | N21 | C28 | H21 | 79.0° | 58.3° |
| C22 | N21 | C28 | H22 | 162.0° | 178.2° |
| C06 | N07 | C08 | C09 | 0.0° | 0.0° |
| C06 | N07 | C08 | H24 | 180.0° | 180.0° |
| C06 | N07 | C08 | O11 | 180.0° | 179.9° |
| C09 | C08 | N07 | O11 | 179.9° | 179.9° |
| C08 | C09 | C10 | H5 | 179.9° | 180.0° |
| C09 | C08 | N07 | H24 | 180.0° | 180.0° |
| N21 | C20 | C19 | C18 | 142.1° | 180.0° |
| N21 | C20 | C19 | H13 | 121.0° | 120.0° |
| N21 | C20 | C19 | H14 | 121.0° | 120.0° |
| C20 | N21 | C28 | C29 | 176.3° | 62.4° |
| N21 | C20 | C19 | H11 | 22.1° | 60.0° |
| N21 | C20 | C19 | H12 | 97.9° | 60.0° |
| N21 | C20 | H13 | H14 | 117.0° | 119.9° |
| C20 | N21 | C22 | H15 | 80.0° | 57.6° |
| C20 | N21 | C22 | H16 | 39.9° | 177.6° |
| C20 | N21 | C28 | H21 | 55.8° | 177.5° |
| C20 | N21 | C28 | H22 | 63.2° | 57.6° |
| C28 | N21 | C20 | C19 | 105.9° | 65.7° |
| N21 | C28 | C29 | O30 | 133.1° | 179.1° |
| N21 | C28 | C29 | H21 | 120.5° | 120.1° |
| N21 | C28 | C29 | H22 | 120.5° | 120.0° |
| C28 | N21 | C20 | H13 | 133.1° | 174.2° |
| C28 | N21 | C20 | H14 | 15.1° | 54.2° |
| C28 | N21 | C22 | H15 | 54.0° | 178.3° |
| C28 | N21 | C22 | H16 | 173.9° | 58.2° |
| N21 | C28 | H21 | H22 | 118.5° | 119.9° |
| N21 | C28 | C29 | H23 | 110.5° | 60.7° |
| N07 | C08 | C09 | H4 | 179.9° | 179.9° |
| O11 | C08 | C09 | H4 | 0.0° | 0.0° |
| O11 | C08 | N07 | H24 | 0.0° | 0.0° |
| O17 | C18 | C19 | H9 | 119.6° | 120.0° |
| O17 | C18 | C19 | H10 | 119.6° | 120.0° |
| O17 | C18 | C19 | C20 | 38.0° | 179.9° |
| C18 | O17 | C16 | H7 | 146.0° | 60.0° |
| C18 | O17 | C16 | H8 | 94.1° | 59.9° |
| O17 | C18 | H9 | H10 | 121.2° | 120.0° |
| O17 | C18 | C19 | H11 | 158.0° | 60.0° |
| O17 | C18 | C19 | H12 | 81.9° | 60.0° |
| C18 | C19 | C20 | H11 | 120.0° | 120.0° |
| C18 | C19 | C20 | H12 | 120.0° | 120.0° |
| C19 | C18 | H9 | H10 | 121.1° | 120.0° |
| C18 | C19 | H11 | H12 | 120.1° | 120.0° |
| C18 | C19 | C20 | H13 | 21.2° | 60.0° |
| C18 | C19 | C20 | H14 | 96.9° | 60.0° |
| C20 | C19 | C18 | H9 | 81.6° | 60.0° |
| C20 | C19 | C18 | H10 | 157.6° | 60.0° |
| C20 | C19 | H11 | H12 | 120.0° | 120.0° |
| C19 | C20 | H13 | H14 | 117.0° | 120.0° |
| O30 | C29 | C28 | H23 | 116.5° | 120.2° |
| O30 | C29 | C26 | H20 | 37.8° | 57.7° |
| O30 | C29 | C28 | H21 | 106.4° | 59.0° |
| O30 | C29 | C28 | H22 | 12.6° | 60.9° |
| C28 | C29 | C26 | H20 | 85.7° | 62.3° |
| C29 | C28 | H21 | H22 | 118.5° | 119.9° |
| C28 | C29 | O30 | H30 | 52.1° | 60.2° |
| H1 | C02 | C03 | H2 | 33.9° | 33.8° |
| H1 | C02 | C15 | H6 | 33.1° | 35.3° |
| H1 | C02 | O01 | H26 | 54.1° | 55.8° |
| H2 | C03 | C04 | H3 | 152.3° | 143.5° |
| H2 | C03 | O14 | H27 | 54.4° | 62.1° |
| H4 | C09 | C10 | H5 | 0.2° | 0.1° |
| H6 | C15 | C16 | H7 | 153.0° | 172.9° |
| H6 | C15 | C16 | H8 | 87.1° | 67.1° |
| H9 | C18 | C19 | H11 | 38.4° | 60.0° |
| H9 | C18 | C19 | H12 | 158.4° | 180.0° |
| H10 | C18 | C19 | H11 | 82.4° | 180.0° |
| H10 | C18 | C19 | H12 | 37.7° | 60.0° |
| H11 | C19 | C20 | H13 | 98.8° | 180.0° |
| H11 | C19 | C20 | H14 | 143.1° | 60.0° |
| H12 | C19 | C20 | H13 | 141.1° | 60.0° |
| H12 | C19 | C20 | H14 | 23.1° | 180.0° |
| H15 | C22 | C23 | H17 | 39.8° | 59.2° |
| H16 | C22 | C23 | H17 | 80.0° | 179.3° |
| H17 | C23 | C24 | H18 | 118.7° | 65.1° |
| H17 | C23 | C24 | H19 | 120.9° | 174.9° |
| H17 | C23 | C26 | H20 | 128.2° | 177.7° |
| H18 | C24 | O25 | H28 | 60.2° | 60.1° |
| H19 | C24 | O25 | H28 | 60.2° | 59.9° |
| H20 | C26 | C29 | H23 | 154.6° | 177.8° |
| H20 | C26 | O27 | H29 | 63.4° | 59.8° |
| H21 | C28 | C29 | H23 | 10.0° | 179.2° |
| H22 | C28 | C29 | H23 | 129.0° | 59.3° |
| H23 | C29 | O30 | H30 | 63.4° | 60.0° |
