YN5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | sing | 1.53Å | 1.45Å | |
| C27 | C26 | sing | 1.50Å | 1.58Å | |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| O30 | C26 | doub | 1.21Å | 1.18Å | |
| C28 | C29 | sing | 1.53Å | 1.45Å | |
| C26 | N25 | sing | 1.33Å | 1.52Å | |
| C29 | C24 | sing | 1.53Å | 1.47Å | |
| C02 | O07 | sing | 1.34Å | 1.32Å | Aromatic |
| C02 | C03 | doub | 1.37Å | 1.39Å | Aromatic |
| N41 | C10 | sing | 1.36Å | 1.37Å | Aromatic |
| N41 | C23 | doub | 1.30Å | 1.34Å | Aromatic |
| O07 | N06 | sing | 1.21Å | 1.37Å | Aromatic |
| N25 | C24 | sing | 1.46Å | 1.56Å | |
| N25 | C31 | sing | 1.40Å | 1.47Å | |
| C24 | C23 | sing | 1.51Å | 1.53Å | |
| C09 | C10 | doub | 1.40Å | 1.44Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.37Å | Aromatic |
| C36 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | N14 | sing | 1.36Å | 1.34Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C03 | C08 | sing | 1.48Å | 1.57Å | |
| C03 | C04 | sing | 1.42Å | 1.42Å | Aromatic |
| N06 | C04 | doub | 1.30Å | 1.34Å | Aromatic |
| C08 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C35 | C34 | doub | 1.39Å | 1.43Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| N14 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| N14 | C15 | sing | 1.46Å | 1.48Å | |
| C11 | C12 | doub | 1.39Å | 1.43Å | Aromatic |
| C32 | C33 | doub | 1.39Å | 1.44Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | C33 | sing | 1.39Å | 1.36Å | Aromatic |
| C34 | O37 | sing | 1.36Å | 1.44Å | |
| C15 | C20 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C33 | O40 | sing | 1.36Å | 1.40Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| O37 | C38 | sing | 1.43Å | 1.43Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| O40 | C39 | sing | 1.43Å | 1.39Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | O21 | sing | 1.43Å | 1.42Å | |
| O21 | C22 | sing | 1.43Å | 1.41Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C35 | H31 | sing | 1.08Å | 1.08Å | |
| C36 | H32 | sing | 1.08Å | 1.08Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C39 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 114.3° | 109.9° |
| C27 | C28 | C29 | 109.8° | 108.5° |
| C27 | C28 | H11 | 109.4° | 109.8° |
| C27 | C28 | H12 | 109.4° | 109.6° |
| C28 | C27 | H26 | 108.2° | 109.4° |
| C28 | C27 | H27 | 108.3° | 109.4° |
| C27 | C26 | O30 | 122.5° | 118.2° |
| C27 | C26 | N25 | 115.8° | 123.5° |
| C26 | C27 | H26 | 108.2° | 109.4° |
| C26 | C27 | H27 | 108.3° | 109.4° |
| C01 | C02 | O07 | 123.9° | 126.9° |
| C01 | C02 | C03 | 129.0° | 126.9° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C01 | H14 | 109.5° | 109.4° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| O30 | C26 | N25 | 121.7° | 118.3° |
| C28 | C29 | C24 | 110.2° | 108.7° |
| C29 | C28 | H11 | 109.4° | 109.7° |
| C29 | C28 | H12 | 109.4° | 109.7° |
| C28 | C29 | H28 | 109.3° | 109.6° |
| C28 | C29 | H29 | 109.3° | 109.6° |
| C26 | N25 | C24 | 117.6° | 124.1° |
| C26 | N25 | C31 | 123.5° | 117.9° |
| C29 | C24 | N25 | 114.9° | 110.3° |
| C29 | C24 | C23 | 109.1° | 109.3° |
| C29 | C24 | H10 | 108.0° | 109.4° |
| C24 | C29 | H28 | 109.3° | 109.6° |
| C24 | C29 | H29 | 109.3° | 109.6° |
| O07 | C02 | C03 | 107.1° | 106.3° |
| C02 | O07 | N06 | 110.9° | 111.8° |
| C02 | C03 | C08 | 127.6° | 128.2° |
| C02 | C03 | C04 | 107.2° | 103.7° |
| C10 | N41 | C23 | 109.5° | 109.7° |
| N41 | C10 | C09 | 132.5° | 133.5° |
| N41 | C10 | C11 | 106.4° | 106.9° |
| N41 | C23 | C24 | 126.8° | 124.9° |
| N41 | C23 | N14 | 108.1° | 110.1° |
| O07 | N06 | C04 | 108.1° | 111.9° |
| C24 | N25 | C31 | 118.9° | 118.0° |
| N25 | C24 | C23 | 110.3° | 109.3° |
| N25 | C24 | H10 | 107.0° | 109.3° |
| N25 | C31 | C36 | 120.8° | 120.1° |
| N25 | C31 | C32 | 117.8° | 120.0° |
| C24 | C23 | N14 | 125.1° | 124.9° |
| C23 | C24 | H10 | 107.3° | 109.3° |
| C10 | C09 | C08 | 119.4° | 119.7° |
| C09 | C10 | C11 | 121.1° | 119.6° |
| C10 | C09 | H19 | 120.3° | 120.2° |
| C09 | C08 | C03 | 120.1° | 119.8° |
| C09 | C08 | C13 | 119.8° | 120.3° |
| C08 | C09 | H19 | 120.3° | 120.2° |
| C10 | C11 | N14 | 107.1° | 106.0° |
| C10 | C11 | C12 | 119.5° | 120.1° |
| C31 | C36 | C35 | 119.1° | 120.1° |
| C36 | C31 | C32 | 121.4° | 119.9° |
| C31 | C36 | H32 | 120.4° | 119.9° |
| C36 | C35 | C34 | 119.6° | 120.2° |
| C36 | C35 | H31 | 120.2° | 120.0° |
| C35 | C36 | H32 | 120.4° | 120.0° |
| C23 | N14 | C11 | 108.9° | 107.3° |
| C23 | N14 | C15 | 122.5° | 126.4° |
| C31 | C32 | C33 | 119.2° | 120.0° |
| C31 | C32 | H30 | 120.4° | 120.0° |
| C08 | C03 | C04 | 125.2° | 128.2° |
| C03 | C08 | C13 | 120.1° | 119.9° |
| C03 | C04 | N06 | 106.7° | 106.3° |
| C03 | C04 | C05 | 129.2° | 126.9° |
| N06 | C04 | C05 | 124.1° | 126.8° |
| C08 | C13 | C12 | 120.5° | 120.3° |
| C08 | C13 | H1 | 119.7° | 119.8° |
| C35 | C34 | C33 | 120.8° | 119.9° |
| C35 | C34 | O37 | 117.8° | 119.4° |
| C34 | C35 | H31 | 120.2° | 119.9° |
| C04 | C05 | H16 | 109.5° | 109.5° |
| C04 | C05 | H17 | 109.5° | 109.5° |
| C04 | C05 | H18 | 109.5° | 109.5° |
| C11 | N14 | C15 | 128.6° | 126.3° |
| N14 | C11 | C12 | 133.4° | 133.9° |
| N14 | C15 | C20 | 113.0° | 109.5° |
| N14 | C15 | C16 | 105.3° | 109.5° |
| N14 | C15 | H2 | 108.2° | 109.4° |
| C11 | C12 | C13 | 119.7° | 120.0° |
| C11 | C12 | H20 | 120.2° | 120.0° |
| C32 | C33 | C34 | 119.9° | 119.9° |
| C32 | C33 | O40 | 118.7° | 119.3° |
| C33 | C32 | H30 | 120.4° | 120.0° |
| C12 | C13 | H1 | 119.7° | 119.8° |
| C13 | C12 | H20 | 120.2° | 120.0° |
| C33 | C34 | O37 | 121.4° | 120.7° |
| C34 | C33 | O40 | 121.4° | 120.8° |
| C34 | O37 | C38 | 116.6° | 116.8° |
| C20 | C15 | C16 | 114.9° | 109.5° |
| C15 | C20 | C19 | 112.3° | 109.5° |
| C20 | C15 | H2 | 107.6° | 109.5° |
| C15 | C20 | H5 | 108.7° | 109.5° |
| C15 | C20 | H6 | 108.8° | 109.4° |
| C15 | C16 | C17 | 112.2° | 109.5° |
| C16 | C15 | H2 | 107.6° | 109.5° |
| C15 | C16 | H21 | 108.8° | 109.5° |
| C15 | C16 | H22 | 108.8° | 109.5° |
| C33 | O40 | C39 | 113.5° | 116.7° |
| C20 | C19 | C18 | 113.4° | 109.5° |
| C19 | C20 | H5 | 108.8° | 109.5° |
| C19 | C20 | H6 | 108.7° | 109.5° |
| C20 | C19 | H24 | 108.5° | 109.5° |
| C20 | C19 | H25 | 108.5° | 109.5° |
| O37 | C38 | C39 | 114.4° | 108.2° |
| O37 | C38 | H33 | 108.2° | 109.7° |
| O37 | C38 | H34 | 108.3° | 109.8° |
| C16 | C17 | C18 | 110.8° | 109.5° |
| C16 | C17 | H3 | 109.1° | 109.4° |
| C16 | C17 | H4 | 109.1° | 109.5° |
| C17 | C16 | H21 | 108.8° | 109.5° |
| C17 | C16 | H22 | 108.8° | 109.4° |
| O40 | C39 | C38 | 113.3° | 108.3° |
| O40 | C39 | H35 | 108.5° | 109.7° |
| O40 | C39 | H36 | 108.5° | 109.8° |
| C19 | C18 | C17 | 111.5° | 109.5° |
| C19 | C18 | O21 | 109.9° | 109.4° |
| C19 | C18 | H23 | 108.2° | 109.5° |
| C18 | C19 | H24 | 108.5° | 109.5° |
| C18 | C19 | H25 | 108.5° | 109.5° |
| C39 | C38 | H33 | 108.2° | 109.7° |
| C39 | C38 | H34 | 108.2° | 109.7° |
| C38 | C39 | H35 | 108.5° | 109.7° |
| C38 | C39 | H36 | 108.5° | 109.7° |
| C17 | C18 | O21 | 109.0° | 109.5° |
| C18 | C17 | H3 | 109.2° | 109.5° |
| C18 | C17 | H4 | 109.2° | 109.5° |
| C17 | C18 | H23 | 108.4° | 109.5° |
| C18 | O21 | C22 | 114.0° | 114.0° |
| O21 | C18 | H23 | 109.8° | 109.5° |
| O21 | C22 | H7 | 109.5° | 109.4° |
| O21 | C22 | H8 | 109.5° | 109.5° |
| O21 | C22 | H9 | 109.5° | 109.4° |
| H3 | C17 | H4 | 109.5° | 109.4° |
| H5 | C20 | H6 | 109.5° | 109.4° |
| H7 | C22 | H8 | 109.4° | 109.5° |
| H7 | C22 | H9 | 109.4° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H11 | C28 | H12 | 109.4° | 109.6° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H13 | C01 | H15 | 109.4° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.5° |
| H16 | C05 | H17 | 109.4° | 109.5° |
| H16 | C05 | H18 | 109.5° | 109.5° |
| H17 | C05 | H18 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.4° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.3° |
| H28 | C29 | H29 | 109.5° | 109.8° |
| H33 | C38 | H34 | 109.5° | 109.7° |
| H35 | C39 | H36 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H26 | 120.7° | 120.1° |
| C28 | C27 | C26 | H27 | 120.7° | 120.1° |
| C28 | C27 | C26 | O30 | 159.5° | 162.5° |
| C27 | C28 | C29 | H11 | 120.1° | 119.9° |
| C27 | C28 | C29 | H12 | 120.1° | 119.7° |
| C28 | C27 | C26 | N25 | 21.5° | 17.5° |
| C27 | C28 | C29 | C24 | 71.2° | 67.7° |
| C27 | C28 | H11 | H12 | 119.8° | 120.4° |
| C28 | C27 | H26 | H27 | 117.8° | 119.8° |
| C27 | C28 | C29 | H28 | 168.7° | 52.1° |
| C27 | C28 | C29 | H29 | 48.9° | 172.6° |
| C27 | C26 | O30 | N25 | 179.0° | 180.0° |
| C26 | C27 | C28 | C29 | 56.1° | 48.9° |
| C27 | C26 | N25 | C24 | 1.6° | 2.3° |
| C27 | C26 | N25 | C31 | 179.2° | 177.8° |
| C26 | C27 | C28 | H11 | 64.0° | 70.9° |
| C26 | C27 | C28 | H12 | 176.1° | 168.6° |
| C26 | C27 | H26 | H27 | 117.8° | 119.8° |
| C01 | C02 | O07 | C03 | 178.8° | 179.8° |
| C01 | C02 | O07 | N06 | 180.0° | 179.8° |
| C01 | C02 | C03 | C08 | 0.9° | 0.0° |
| C01 | C02 | C03 | C04 | 179.6° | 180.0° |
| C02 | C01 | H13 | H14 | 120.0° | 120.0° |
| C02 | C01 | H13 | H15 | 120.0° | 120.0° |
| C02 | C01 | H14 | H15 | 120.0° | 120.0° |
| O30 | C26 | N25 | C24 | 179.4° | 177.8° |
| O30 | C26 | N25 | C31 | 1.8° | 2.1° |
| O30 | C26 | C27 | H26 | 79.9° | 42.4° |
| O30 | C26 | C27 | H27 | 38.7° | 77.3° |
| C28 | C29 | C24 | H28 | 120.1° | 119.8° |
| C28 | C29 | C24 | H29 | 120.1° | 119.7° |
| C28 | C29 | C24 | N25 | 49.5° | 50.9° |
| C28 | C29 | C24 | C23 | 173.9° | 171.1° |
| C28 | C29 | C24 | H10 | 69.8° | 69.4° |
| C29 | C28 | H11 | H12 | 119.8° | 120.5° |
| C29 | C28 | C27 | H26 | 64.6° | 169.0° |
| C29 | C28 | C27 | H27 | 176.8° | 71.3° |
| C28 | C29 | H28 | H29 | 119.6° | 120.4° |
| C26 | N25 | C24 | C29 | 15.6° | 19.3° |
| C26 | N25 | C24 | C31 | 177.7° | 179.9° |
| C26 | N25 | C24 | C23 | 139.4° | 139.4° |
| C26 | N25 | C31 | C36 | 88.8° | 112.4° |
| C26 | N25 | C31 | C32 | 92.8° | 67.3° |
| C26 | N25 | C24 | H10 | 104.2° | 101.0° |
| N25 | C26 | C27 | H26 | 99.2° | 137.7° |
| N25 | C26 | C27 | H27 | 142.3° | 102.6° |
| C29 | C24 | C23 | N41 | 59.2° | 75.7° |
| C29 | C24 | N25 | C23 | 123.8° | 120.2° |
| C29 | C24 | N25 | H10 | 119.8° | 120.3° |
| C29 | C24 | N25 | C31 | 166.7° | 160.8° |
| C29 | C24 | C23 | H10 | 116.8° | 119.6° |
| C29 | C24 | C23 | N14 | 118.4° | 104.6° |
| C24 | C29 | C28 | H11 | 48.9° | 52.2° |
| C24 | C29 | C28 | H12 | 168.7° | 172.6° |
| C24 | C29 | H28 | H29 | 119.6° | 120.4° |
| O07 | C02 | C03 | C08 | 179.6° | 179.8° |
| O07 | C02 | C03 | C04 | 0.9° | 0.2° |
| C02 | O07 | N06 | C04 | 1.1° | 0.4° |
| O07 | C02 | C01 | H13 | 0.0° | 0.0° |
| O07 | C02 | C01 | H14 | 120.0° | 120.0° |
| O07 | C02 | C01 | H15 | 120.0° | 120.0° |
| C03 | C02 | O07 | N06 | 1.2° | 0.4° |
| C02 | C03 | C08 | C09 | 38.5° | 115.0° |
| C02 | C03 | C08 | C04 | 179.4° | 180.0° |
| C02 | C03 | C04 | N06 | 0.3° | 0.0° |
| C02 | C03 | C08 | C13 | 140.4° | 65.0° |
| C02 | C03 | C04 | C05 | 179.6° | 180.0° |
| C03 | C02 | C01 | H13 | 178.5° | 179.7° |
| C03 | C02 | C01 | H14 | 58.5° | 59.7° |
| C03 | C02 | C01 | H15 | 61.5° | 60.2° |
| C10 | N41 | C23 | C24 | 179.2° | 179.8° |
| N41 | C10 | C09 | C11 | 179.8° | 179.7° |
| N41 | C10 | C09 | C08 | 180.0° | 179.7° |
| C10 | N41 | C23 | N14 | 1.2° | 0.4° |
| N41 | C10 | C11 | N14 | 0.1° | 0.3° |
| N41 | C10 | C11 | C12 | 179.6° | 179.8° |
| N41 | C10 | C09 | H19 | 0.0° | 0.4° |
| N41 | C23 | C24 | N25 | 67.9° | 45.1° |
| N41 | C23 | C24 | N14 | 177.6° | 179.7° |
| C23 | N41 | C10 | C09 | 179.5° | 179.9° |
| C23 | N41 | C10 | C11 | 0.7° | 0.4° |
| N41 | C23 | N14 | C11 | 1.3° | 0.2° |
| N41 | C23 | N14 | C15 | 178.8° | 180.0° |
| N41 | C23 | C24 | H10 | 175.9° | 164.7° |
| O07 | N06 | C04 | C03 | 0.4° | 0.2° |
| O07 | N06 | C04 | C05 | 179.6° | 179.7° |
| N25 | C24 | C23 | H10 | 116.2° | 119.6° |
| C24 | N25 | C31 | C36 | 93.6° | 67.5° |
| N25 | C24 | C23 | N14 | 114.5° | 134.6° |
| C24 | N25 | C31 | C32 | 84.8° | 112.8° |
| N25 | C24 | C29 | H28 | 169.6° | 68.9° |
| N25 | C24 | C29 | H29 | 70.6° | 170.6° |
| C31 | N25 | C24 | C23 | 42.9° | 40.7° |
| N25 | C31 | C36 | C32 | 178.3° | 179.7° |
| N25 | C31 | C36 | C35 | 178.8° | 179.7° |
| N25 | C31 | C32 | C33 | 179.1° | 179.7° |
| C31 | N25 | C24 | H10 | 73.5° | 78.9° |
| N25 | C31 | C32 | H30 | 0.9° | 0.3° |
| N25 | C31 | C36 | H32 | 1.2° | 0.3° |
| C24 | C23 | N14 | C11 | 179.3° | 180.0° |
| C24 | C23 | N14 | C15 | 3.2° | 0.2° |
| C23 | C24 | C29 | H28 | 66.0° | 51.3° |
| C23 | C24 | C29 | H29 | 53.8° | 69.2° |
| C10 | C09 | C08 | H19 | 180.0° | 180.0° |
| C10 | C09 | C08 | C03 | 180.0° | 180.0° |
| C10 | C09 | C08 | C13 | 1.1° | 0.0° |
| C09 | C10 | C11 | N14 | 179.7° | 180.0° |
| C09 | C10 | C11 | C12 | 0.3° | 0.0° |
| C08 | C09 | C10 | C11 | 0.2° | 0.0° |
| C09 | C08 | C03 | C13 | 178.9° | 180.0° |
| C09 | C08 | C03 | C04 | 140.9° | 65.0° |
| C09 | C08 | C13 | C12 | 1.5° | 0.0° |
| C09 | C08 | C13 | H1 | 178.5° | 180.0° |
| C10 | C11 | N14 | C23 | 0.9° | 0.0° |
| C10 | C11 | N14 | C12 | 179.4° | 180.0° |
| C10 | C11 | N14 | C15 | 178.2° | 179.8° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C09 | H19 | 179.8° | 180.0° |
| C10 | C11 | C12 | H20 | 179.9° | 180.0° |
| C31 | C36 | C35 | H32 | 180.0° | 179.9° |
| C31 | C36 | C35 | C34 | 0.2° | 0.0° |
| C36 | C31 | C32 | C33 | 0.7° | 0.0° |
| C36 | C31 | C32 | H30 | 179.3° | 179.9° |
| C31 | C36 | C35 | H31 | 179.8° | 179.9° |
| C35 | C36 | C31 | C32 | 0.5° | 0.1° |
| C36 | C35 | C34 | H31 | 180.0° | 179.9° |
| C36 | C35 | C34 | C33 | 0.0° | 0.1° |
| C36 | C35 | C34 | O37 | 179.8° | 179.8° |
| C23 | N14 | C11 | C15 | 177.3° | 179.8° |
| C23 | N14 | C11 | C12 | 179.8° | 180.0° |
| C23 | N14 | C15 | C20 | 123.7° | 119.8° |
| C23 | N14 | C15 | C16 | 110.2° | 120.2° |
| C23 | N14 | C15 | H2 | 4.6° | 0.1° |
| N14 | C23 | C24 | H10 | 1.7° | 15.0° |
| C31 | C32 | C33 | H30 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.6° | 0.1° |
| C31 | C32 | C33 | O40 | 179.8° | 179.8° |
| C32 | C31 | C36 | H32 | 179.5° | 180.0° |
| C08 | C03 | C04 | N06 | 179.8° | 180.0° |
| C08 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | C08 | C13 | C12 | 179.6° | 180.0° |
| C03 | C08 | C13 | H1 | 0.4° | 0.0° |
| C03 | C08 | C09 | H19 | 0.0° | 0.0° |
| C03 | C04 | N06 | C05 | 179.9° | 180.0° |
| C04 | C03 | C08 | C13 | 40.2° | 115.0° |
| C03 | C04 | C05 | H16 | 179.9° | 90.0° |
| C03 | C04 | C05 | H17 | 59.9° | 150.0° |
| C03 | C04 | C05 | H18 | 60.1° | 30.0° |
| N06 | C04 | C05 | H16 | 0.0° | 89.9° |
| N06 | C04 | C05 | H17 | 120.0° | 30.0° |
| N06 | C04 | C05 | H18 | 120.0° | 150.0° |
| C08 | C13 | C12 | C11 | 1.0° | 0.0° |
| C08 | C13 | C12 | H1 | 180.0° | 180.0° |
| C13 | C08 | C09 | H19 | 178.9° | 179.9° |
| C08 | C13 | C12 | H20 | 179.0° | 179.9° |
| C35 | C34 | C33 | C32 | 0.2° | 0.1° |
| C35 | C34 | C33 | O37 | 179.9° | 179.9° |
| C35 | C34 | C33 | O40 | 179.9° | 179.8° |
| C35 | C34 | O37 | C38 | 174.9° | 162.9° |
| C34 | C35 | C36 | H32 | 179.8° | 180.0° |
| C04 | C05 | H16 | H17 | 120.0° | 120.0° |
| C04 | C05 | H16 | H18 | 120.0° | 120.1° |
| C04 | C05 | H17 | H18 | 120.0° | 120.0° |
| N14 | C11 | C12 | C13 | 179.2° | 180.0° |
| C11 | N14 | C15 | C20 | 59.3° | 59.9° |
| C11 | N14 | C15 | C16 | 66.8° | 60.1° |
| C11 | N14 | C15 | H2 | 178.4° | 179.9° |
| N14 | C11 | C12 | H20 | 0.8° | 0.1° |
| C15 | N14 | C11 | C12 | 2.4° | 0.2° |
| N14 | C15 | C20 | C16 | 120.8° | 120.0° |
| N14 | C15 | C20 | H2 | 119.4° | 119.9° |
| N14 | C15 | C16 | H2 | 115.3° | 119.9° |
| N14 | C15 | C20 | C19 | 175.4° | 60.0° |
| N14 | C15 | C16 | C17 | 145.9° | 60.1° |
| N14 | C15 | C20 | H5 | 64.2° | 179.9° |
| N14 | C15 | C20 | H6 | 55.0° | 60.0° |
| N14 | C15 | C16 | H21 | 25.4° | 60.0° |
| N14 | C15 | C16 | H22 | 93.7° | 180.0° |
| C11 | C12 | C13 | H20 | 180.0° | 180.0° |
| C11 | C12 | C13 | H1 | 179.0° | 180.0° |
| C32 | C33 | C34 | O40 | 179.6° | 179.9° |
| C32 | C33 | C34 | O37 | 179.7° | 179.8° |
| C32 | C33 | O40 | C39 | 150.8° | 162.9° |
| C33 | C34 | O37 | C38 | 5.0° | 17.2° |
| C34 | C33 | O40 | C39 | 28.9° | 17.2° |
| C34 | C33 | C32 | H30 | 179.4° | 180.0° |
| C33 | C34 | C35 | H31 | 179.9° | 179.8° |
| O37 | C34 | C33 | O40 | 0.0° | 0.3° |
| C34 | O37 | C38 | C39 | 16.9° | 46.2° |
| O37 | C34 | C35 | H31 | 0.2° | 0.3° |
| C34 | O37 | C38 | H33 | 137.6° | 73.4° |
| C34 | O37 | C38 | H34 | 103.8° | 165.9° |
| C20 | C15 | C16 | H2 | 119.8° | 120.0° |
| C15 | C20 | C19 | H5 | 120.4° | 120.0° |
| C15 | C20 | C19 | H6 | 120.4° | 120.0° |
| C20 | C15 | C16 | C17 | 20.9° | 60.0° |
| C15 | C20 | C19 | C18 | 26.5° | 60.0° |
| C15 | C20 | H5 | H6 | 118.7° | 120.0° |
| C20 | C15 | C16 | H21 | 99.5° | 180.0° |
| C20 | C15 | C16 | H22 | 141.3° | 60.0° |
| C15 | C20 | C19 | H24 | 94.0° | 180.0° |
| C15 | C20 | C19 | H25 | 147.1° | 60.0° |
| C16 | C15 | C20 | C19 | 54.5° | 60.0° |
| C15 | C16 | C17 | H21 | 120.4° | 120.1° |
| C15 | C16 | C17 | H22 | 120.4° | 120.0° |
| C15 | C16 | C17 | C18 | 37.1° | 59.9° |
| C15 | C16 | C17 | H3 | 83.1° | 60.0° |
| C15 | C16 | C17 | H4 | 157.3° | 180.0° |
| C16 | C15 | C20 | H5 | 174.9° | 60.0° |
| C16 | C15 | C20 | H6 | 65.9° | 180.0° |
| C15 | C16 | H21 | H22 | 118.8° | 120.0° |
| C33 | O40 | C39 | C38 | 50.2° | 46.2° |
| O40 | C33 | C32 | H30 | 0.2° | 0.1° |
| C33 | O40 | C39 | H35 | 170.8° | 73.4° |
| C33 | O40 | C39 | H36 | 70.3° | 166.0° |
| C20 | C19 | C18 | H24 | 120.6° | 120.0° |
| C20 | C19 | C18 | H25 | 120.6° | 120.0° |
| C20 | C19 | C18 | C17 | 30.7° | 60.0° |
| C20 | C19 | C18 | O21 | 151.7° | 180.0° |
| C19 | C20 | C15 | H2 | 65.2° | 179.9° |
| C19 | C20 | H5 | H6 | 118.7° | 120.0° |
| C20 | C19 | C18 | H23 | 88.4° | 60.0° |
| C20 | C19 | H24 | H25 | 118.2° | 120.0° |
| O37 | C38 | C39 | O40 | 45.3° | 59.7° |
| O37 | C38 | C39 | H33 | 120.7° | 119.6° |
| O37 | C38 | C39 | H34 | 120.7° | 119.8° |
| O37 | C38 | H33 | H34 | 117.8° | 120.7° |
| O37 | C38 | C39 | H35 | 165.9° | 60.0° |
| O37 | C38 | C39 | H36 | 75.3° | 179.5° |
| C16 | C17 | C18 | C19 | 65.1° | 60.0° |
| C16 | C17 | C18 | H3 | 120.2° | 119.9° |
| C16 | C17 | C18 | H4 | 120.2° | 120.1° |
| C16 | C17 | C18 | O21 | 173.4° | 179.9° |
| C17 | C16 | C15 | H2 | 98.9° | 180.0° |
| C16 | C17 | H3 | H4 | 119.4° | 120.0° |
| C17 | C16 | H21 | H22 | 118.7° | 119.9° |
| C16 | C17 | C18 | H23 | 53.9° | 60.1° |
| O40 | C39 | C38 | H35 | 120.6° | 119.7° |
| O40 | C39 | C38 | H36 | 120.6° | 119.8° |
| O40 | C39 | C38 | H33 | 166.0° | 59.9° |
| O40 | C39 | C38 | H34 | 75.4° | 179.5° |
| O40 | C39 | H35 | H36 | 118.3° | 120.7° |
| C19 | C18 | C17 | O21 | 121.5° | 120.0° |
| C19 | C18 | C17 | H23 | 119.0° | 120.0° |
| C19 | C18 | O21 | H23 | 118.9° | 120.0° |
| C19 | C18 | O21 | C22 | 173.2° | 90.0° |
| C19 | C18 | C17 | H3 | 55.1° | 60.0° |
| C19 | C18 | C17 | H4 | 174.7° | 179.9° |
| C18 | C19 | C20 | H5 | 146.9° | 60.0° |
| C18 | C19 | C20 | H6 | 93.9° | 180.0° |
| C18 | C19 | H24 | H25 | 118.2° | 120.0° |
| C39 | C38 | H33 | H34 | 117.7° | 120.6° |
| C38 | C39 | H35 | H36 | 118.2° | 120.5° |
| C17 | C18 | O21 | H23 | 118.6° | 120.0° |
| C17 | C18 | O21 | C22 | 50.8° | 150.0° |
| C18 | C17 | H3 | H4 | 119.4° | 120.0° |
| C18 | C17 | C16 | H21 | 157.6° | 180.0° |
| C18 | C17 | C16 | H22 | 83.3° | 60.0° |
| C17 | C18 | C19 | H24 | 151.3° | 180.0° |
| C17 | C18 | C19 | H25 | 89.9° | 60.0° |
| O21 | C18 | C17 | H3 | 66.4° | 60.0° |
| O21 | C18 | C17 | H4 | 53.3° | 60.0° |
| C18 | O21 | C22 | H7 | 180.0° | 180.0° |
| C18 | O21 | C22 | H8 | 60.0° | 60.0° |
| C18 | O21 | C22 | H9 | 60.0° | 60.0° |
| O21 | C18 | C19 | H24 | 87.7° | 60.0° |
| O21 | C18 | C19 | H25 | 31.1° | 60.0° |
| O21 | C22 | H7 | H8 | 120.0° | 120.0° |
| O21 | C22 | H7 | H9 | 120.0° | 119.9° |
| O21 | C22 | H8 | H9 | 120.0° | 119.9° |
| C22 | O21 | C18 | H23 | 67.9° | 30.0° |
| H1 | C13 | C12 | H20 | 1.0° | 0.0° |
| H2 | C15 | C20 | H5 | 55.2° | 60.0° |
| H2 | C15 | C20 | H6 | 174.4° | 59.9° |
| H2 | C15 | C16 | H21 | 140.7° | 60.0° |
| H2 | C15 | C16 | H22 | 21.5° | 60.0° |
| H3 | C17 | C16 | H21 | 37.3° | 60.0° |
| H3 | C17 | C16 | H22 | 156.5° | 180.0° |
| H3 | C17 | C18 | H23 | 174.1° | 180.0° |
| H4 | C17 | C16 | H21 | 82.2° | 59.9° |
| H4 | C17 | C16 | H22 | 36.9° | 60.0° |
| H4 | C17 | C18 | H23 | 66.3° | 60.0° |
| H5 | C20 | C19 | H24 | 26.4° | 60.0° |
| H5 | C20 | C19 | H25 | 92.5° | 180.0° |
| H6 | C20 | C19 | H24 | 145.5° | 60.0° |
| H6 | C20 | C19 | H25 | 26.7° | 60.0° |
| H7 | C22 | H8 | H9 | 119.9° | 120.1° |
| H10 | C24 | C29 | H28 | 50.4° | 170.9° |
| H10 | C24 | C29 | H29 | 170.1° | 50.4° |
| H11 | C28 | C27 | H26 | 175.3° | 49.2° |
| H11 | C28 | C27 | H27 | 56.7° | 168.9° |
| H11 | C28 | C29 | H28 | 71.3° | 172.0° |
| H11 | C28 | C29 | H29 | 169.0° | 67.5° |
| H12 | C28 | C27 | H26 | 55.5° | 71.3° |
| H12 | C28 | C27 | H27 | 63.1° | 48.4° |
| H12 | C28 | C29 | H28 | 48.6° | 67.6° |
| H12 | C28 | C29 | H29 | 71.2° | 52.9° |
| H13 | C01 | H14 | H15 | 120.0° | 120.0° |
| H16 | C05 | H17 | H18 | 120.0° | 120.0° |
| H23 | C18 | C19 | H24 | 32.2° | 60.0° |
| H23 | C18 | C19 | H25 | 151.0° | 180.0° |
| H31 | C35 | C36 | H32 | 0.2° | 0.1° |
| H33 | C38 | C39 | H35 | 73.4° | 179.6° |
| H33 | C38 | C39 | H36 | 45.5° | 59.9° |
| H34 | C38 | C39 | H35 | 45.1° | 59.8° |
| H34 | C38 | C39 | H36 | 164.0° | 60.7° |
