JWO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | N26 | doub | 1.32Å | 1.33Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| N26 | C27 | sing | 1.32Å | 1.32Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C12 | sing | 1.51Å | 1.54Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| O29 | C28 | doub | 1.21Å | 1.19Å | |
| C32 | C30 | sing | 1.53Å | 1.52Å | |
| O14 | C13 | doub | 1.21Å | 1.20Å | |
| C28 | C30 | sing | 1.51Å | 1.53Å | |
| C28 | N11 | sing | 1.35Å | 1.48Å | |
| C12 | N11 | sing | 1.46Å | 1.48Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C30 | O33 | sing | 1.43Å | 1.41Å | |
| N11 | C08 | sing | 1.40Å | 1.47Å | |
| C09 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | N15 | sing | 1.35Å | 1.45Å | |
| C08 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| N15 | C16 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C21 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C07 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C02 | sing | 1.51Å | 1.54Å | |
| C04 | C02 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.08Å | 1.08Å | |
| C07 | H19 | sing | 1.08Å | 1.08Å | |
| C09 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| N15 | H36 | sing | 0.97Å | 1.00Å | |
| O33 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N26 | C25 | C24 | 121.0° | 120.8° |
| C25 | N26 | C27 | 123.6° | 121.8° |
| N26 | C25 | H28 | 119.5° | 119.6° |
| C25 | C24 | C23 | 117.5° | 119.1° |
| C25 | C24 | H8 | 121.3° | 120.5° |
| C24 | C25 | H28 | 119.5° | 119.6° |
| N26 | C27 | C22 | 118.8° | 120.8° |
| N26 | C27 | H29 | 120.6° | 119.7° |
| C24 | C23 | C22 | 119.3° | 118.4° |
| C23 | C24 | H8 | 121.2° | 120.4° |
| C24 | C23 | H27 | 120.3° | 120.8° |
| C27 | C22 | C23 | 119.7° | 119.2° |
| C27 | C22 | C12 | 121.5° | 120.5° |
| C22 | C27 | H29 | 120.6° | 119.5° |
| C23 | C22 | C12 | 118.5° | 120.4° |
| C22 | C23 | H27 | 120.4° | 120.8° |
| C22 | C12 | N11 | 120.7° | 109.5° |
| C22 | C12 | C13 | 103.5° | 109.5° |
| C22 | C12 | H21 | 106.8° | 109.5° |
| C31 | C30 | C32 | 100.0° | 109.5° |
| C31 | C30 | C28 | 108.7° | 109.5° |
| C31 | C30 | O33 | 111.2° | 109.5° |
| C30 | C31 | H30 | 109.5° | 109.5° |
| C30 | C31 | H31 | 109.5° | 109.5° |
| C30 | C31 | H32 | 109.5° | 109.5° |
| O29 | C28 | C30 | 115.9° | 120.0° |
| O29 | C28 | N11 | 118.8° | 120.0° |
| C32 | C30 | C28 | 115.0° | 109.5° |
| C32 | C30 | O33 | 112.7° | 109.5° |
| C30 | C32 | H33 | 109.5° | 109.5° |
| C30 | C32 | H34 | 109.4° | 109.4° |
| C30 | C32 | H35 | 109.5° | 109.5° |
| O14 | C13 | C12 | 121.7° | 120.0° |
| O14 | C13 | N15 | 117.5° | 120.0° |
| C30 | C28 | N11 | 125.2° | 120.0° |
| C28 | C30 | O33 | 109.0° | 109.4° |
| C28 | N11 | C12 | 122.1° | 120.0° |
| C28 | N11 | C08 | 122.7° | 119.9° |
| N11 | C12 | C13 | 110.8° | 109.5° |
| C12 | N11 | C08 | 115.0° | 120.0° |
| N11 | C12 | H21 | 107.5° | 109.4° |
| C12 | C13 | N15 | 120.7° | 120.0° |
| C13 | C12 | H21 | 106.8° | 109.4° |
| C30 | O33 | H37 | 109.5° | 114.0° |
| N11 | C08 | C09 | 123.8° | 120.1° |
| N11 | C08 | C07 | 116.4° | 120.1° |
| C08 | C09 | C10 | 119.6° | 119.9° |
| C09 | C08 | C07 | 119.8° | 119.9° |
| C08 | C09 | H20 | 120.2° | 120.0° |
| C09 | C10 | C05 | 120.0° | 120.1° |
| C09 | C10 | H1 | 120.0° | 119.9° |
| C10 | C09 | H20 | 120.2° | 120.1° |
| C13 | N15 | C16 | 117.2° | 120.0° |
| C13 | N15 | H36 | 121.4° | 120.0° |
| C08 | C07 | C06 | 120.2° | 119.9° |
| C08 | C07 | H19 | 119.9° | 120.1° |
| C10 | C05 | C06 | 120.2° | 120.2° |
| C10 | C05 | C02 | 121.9° | 119.9° |
| C05 | C10 | H1 | 120.0° | 120.0° |
| N15 | C16 | C17 | 108.5° | 109.4° |
| N15 | C16 | C21 | 108.9° | 109.5° |
| N15 | C16 | H22 | 107.7° | 109.4° |
| C16 | N15 | H36 | 121.4° | 120.0° |
| C17 | C16 | C21 | 117.6° | 109.5° |
| C16 | C17 | C18 | 114.7° | 109.5° |
| C16 | C17 | H2 | 108.1° | 109.5° |
| C16 | C17 | H3 | 108.1° | 109.5° |
| C17 | C16 | H22 | 106.8° | 109.5° |
| C16 | C21 | C20 | 116.3° | 109.5° |
| C16 | C21 | H6 | 107.7° | 109.5° |
| C16 | C21 | H7 | 107.8° | 109.5° |
| C21 | C16 | H22 | 106.8° | 109.5° |
| C17 | C18 | C19 | 113.9° | 109.5° |
| C18 | C17 | H2 | 108.2° | 109.4° |
| C18 | C17 | H3 | 108.2° | 109.4° |
| C17 | C18 | H23 | 108.4° | 109.5° |
| C17 | C18 | H24 | 108.4° | 109.5° |
| C07 | C06 | C05 | 120.2° | 120.1° |
| C07 | C06 | H18 | 119.9° | 119.9° |
| C06 | C07 | H19 | 119.9° | 120.0° |
| C06 | C05 | C02 | 117.9° | 119.9° |
| C05 | C06 | H18 | 119.9° | 120.0° |
| C05 | C02 | C04 | 112.3° | 109.4° |
| C05 | C02 | C01 | 106.6° | 109.4° |
| C05 | C02 | C03 | 108.2° | 109.4° |
| C04 | C02 | C01 | 109.7° | 109.5° |
| C04 | C02 | C03 | 108.4° | 109.5° |
| C02 | C04 | H15 | 109.5° | 109.5° |
| C02 | C04 | H16 | 109.4° | 109.5° |
| C02 | C04 | H17 | 109.5° | 109.4° |
| C21 | C20 | C19 | 114.0° | 109.5° |
| C21 | C20 | H4 | 108.3° | 109.5° |
| C21 | C20 | H5 | 108.3° | 109.5° |
| C20 | C21 | H6 | 107.7° | 109.4° |
| C20 | C21 | H7 | 107.7° | 109.5° |
| C18 | C19 | C20 | 111.7° | 109.4° |
| C19 | C18 | H23 | 108.4° | 109.5° |
| C19 | C18 | H24 | 108.4° | 109.4° |
| C18 | C19 | H25 | 108.9° | 109.5° |
| C18 | C19 | H26 | 108.9° | 109.5° |
| C19 | C20 | H4 | 108.3° | 109.5° |
| C19 | C20 | H5 | 108.4° | 109.5° |
| C20 | C19 | H25 | 108.9° | 109.5° |
| C20 | C19 | H26 | 108.9° | 109.4° |
| C01 | C02 | C03 | 111.7° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| C02 | C03 | H13 | 109.5° | 109.5° |
| C02 | C03 | H14 | 109.5° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.4° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H11 | 109.4° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H12 | C03 | H13 | 109.4° | 109.4° |
| H12 | C03 | H14 | 109.5° | 109.4° |
| H13 | C03 | H14 | 109.4° | 109.5° |
| H15 | C04 | H16 | 109.5° | 109.5° |
| H15 | C04 | H17 | 109.5° | 109.5° |
| H16 | C04 | H17 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.4° |
| H30 | C31 | H32 | 109.4° | 109.5° |
| H31 | C31 | H32 | 109.5° | 109.5° |
| H33 | C32 | H34 | 109.4° | 109.5° |
| H33 | C32 | H35 | 109.5° | 109.4° |
| H34 | C32 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N26 | C25 | C24 | H28 | 180.0° | 179.8° |
| N26 | C25 | C24 | C23 | 1.4° | 0.2° |
| C25 | N26 | C27 | C22 | 1.6° | 0.1° |
| N26 | C25 | C24 | H8 | 178.6° | 179.8° |
| C25 | N26 | C27 | H29 | 178.4° | 180.0° |
| C24 | C25 | N26 | C27 | 1.1° | 0.2° |
| C25 | C24 | C23 | H8 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 2.4° | 0.0° |
| C25 | C24 | C23 | H27 | 177.7° | 180.0° |
| N26 | C27 | C22 | H29 | 180.0° | 179.9° |
| N26 | C27 | C22 | C23 | 2.6° | 0.3° |
| N26 | C27 | C22 | C12 | 177.1° | 180.0° |
| C27 | N26 | C25 | H28 | 179.0° | 180.0° |
| C24 | C23 | C22 | C27 | 3.0° | 0.3° |
| C24 | C23 | C22 | H27 | 180.0° | 179.9° |
| C24 | C23 | C22 | C12 | 177.7° | 180.0° |
| C23 | C24 | C25 | H28 | 178.6° | 180.0° |
| C27 | C22 | C23 | C12 | 174.7° | 179.7° |
| C27 | C22 | C12 | N11 | 45.2° | 50.0° |
| C27 | C22 | C12 | C13 | 79.3° | 70.0° |
| C27 | C22 | C12 | H21 | 168.2° | 170.0° |
| C27 | C22 | C23 | H27 | 177.0° | 179.8° |
| C23 | C22 | C12 | N11 | 140.2° | 130.3° |
| C23 | C22 | C12 | C13 | 95.3° | 109.7° |
| C22 | C23 | C24 | H8 | 177.6° | 180.0° |
| C23 | C22 | C12 | H21 | 17.2° | 10.3° |
| C23 | C22 | C27 | H29 | 177.4° | 179.7° |
| C22 | C12 | C13 | O14 | 64.7° | 131.9° |
| C22 | C12 | N11 | C28 | 51.4° | 126.6° |
| C22 | C12 | N11 | C13 | 121.0° | 120.0° |
| C22 | C12 | N11 | H21 | 122.7° | 120.0° |
| C22 | C12 | C13 | H21 | 112.5° | 120.1° |
| C22 | C12 | N11 | C08 | 132.7° | 53.4° |
| C22 | C12 | C13 | N15 | 111.2° | 48.1° |
| C12 | C22 | C23 | H27 | 2.3° | 0.1° |
| C12 | C22 | C27 | H29 | 2.9° | 0.0° |
| C31 | C30 | C28 | O29 | 14.3° | 126.2° |
| C31 | C30 | C32 | C28 | 116.2° | 120.0° |
| C31 | C30 | C32 | O33 | 118.1° | 120.1° |
| C31 | C30 | C28 | O33 | 121.3° | 120.0° |
| C31 | C30 | C28 | N11 | 166.6° | 53.9° |
| C30 | C31 | H30 | H31 | 120.0° | 119.9° |
| C30 | C31 | H30 | H32 | 120.0° | 120.1° |
| C30 | C31 | H31 | H32 | 120.0° | 120.0° |
| C31 | C30 | C32 | H33 | 180.0° | 172.1° |
| C31 | C30 | C32 | H34 | 60.0° | 52.0° |
| C31 | C30 | C32 | H35 | 60.0° | 68.0° |
| C31 | C30 | O33 | H37 | 180.0° | 59.9° |
| O29 | C28 | C30 | C32 | 125.5° | 113.8° |
| O29 | C28 | C30 | N11 | 179.1° | 180.0° |
| O29 | C28 | N11 | C12 | 1.2° | 173.8° |
| O29 | C28 | C30 | O33 | 106.9° | 6.2° |
| O29 | C28 | N11 | C08 | 176.8° | 6.3° |
| C32 | C30 | C28 | O33 | 127.6° | 120.0° |
| C32 | C30 | C28 | N11 | 55.4° | 66.2° |
| C32 | C30 | C31 | H30 | 180.0° | 54.3° |
| C32 | C30 | C31 | H31 | 60.0° | 65.5° |
| C32 | C30 | C31 | H32 | 60.0° | 174.4° |
| C30 | C32 | H33 | H34 | 120.0° | 120.0° |
| C30 | C32 | H33 | H35 | 120.0° | 120.0° |
| C30 | C32 | H34 | H35 | 120.0° | 120.0° |
| C32 | C30 | O33 | H37 | 68.6° | 180.0° |
| O14 | C13 | C12 | N11 | 66.1° | 11.9° |
| O14 | C13 | C12 | N15 | 175.8° | 180.0° |
| O14 | C13 | N15 | C16 | 2.8° | 0.0° |
| O14 | C13 | C12 | H21 | 177.2° | 108.0° |
| O14 | C13 | N15 | H36 | 177.2° | 180.0° |
| C30 | C28 | N11 | C12 | 177.8° | 6.2° |
| C30 | C28 | N11 | C08 | 2.3° | 173.8° |
| C28 | C30 | C31 | H30 | 59.2° | 65.6° |
| C28 | C30 | C31 | H31 | 60.8° | 174.5° |
| C28 | C30 | C31 | H32 | 179.2° | 54.4° |
| C28 | C30 | C32 | H33 | 63.8° | 68.0° |
| C28 | C30 | C32 | H34 | 176.2° | 172.0° |
| C28 | C30 | C32 | H35 | 56.2° | 52.0° |
| C28 | C30 | O33 | H37 | 60.3° | 60.1° |
| C28 | N11 | C12 | C08 | 175.9° | 180.0° |
| C28 | N11 | C12 | C13 | 172.4° | 113.4° |
| N11 | C28 | C30 | O33 | 72.2° | 173.9° |
| C28 | N11 | C08 | C09 | 91.9° | 106.1° |
| C28 | N11 | C08 | C07 | 89.5° | 73.7° |
| C28 | N11 | C12 | H21 | 71.3° | 6.6° |
| N11 | C12 | C13 | H21 | 116.8° | 119.9° |
| C12 | N11 | C08 | C09 | 92.2° | 73.9° |
| N11 | C12 | C13 | N15 | 118.1° | 168.1° |
| C12 | N11 | C08 | C07 | 86.4° | 106.3° |
| C13 | C12 | N11 | C08 | 11.7° | 66.6° |
| C12 | C13 | N15 | C16 | 178.8° | 180.0° |
| C12 | C13 | N15 | H36 | 1.2° | 0.0° |
| O33 | C30 | C31 | H30 | 60.7° | 174.4° |
| O33 | C30 | C31 | H31 | 179.2° | 54.5° |
| O33 | C30 | C31 | H32 | 59.2° | 65.5° |
| O33 | C30 | C32 | H33 | 61.9° | 52.0° |
| O33 | C30 | C32 | H34 | 58.1° | 68.0° |
| O33 | C30 | C32 | H35 | 178.1° | 171.9° |
| N11 | C08 | C09 | C07 | 178.5° | 179.8° |
| N11 | C08 | C09 | C10 | 178.2° | 179.7° |
| N11 | C08 | C07 | C06 | 178.9° | 179.9° |
| N11 | C08 | C07 | H19 | 1.1° | 0.0° |
| N11 | C08 | C09 | H20 | 1.8° | 0.2° |
| C08 | N11 | C12 | H21 | 104.6° | 173.5° |
| C08 | C09 | C10 | H20 | 180.0° | 179.5° |
| C08 | C09 | C10 | C05 | 0.9° | 0.5° |
| C09 | C08 | C07 | C06 | 0.2° | 0.3° |
| C08 | C09 | C10 | H1 | 179.1° | 179.7° |
| C09 | C08 | C07 | H19 | 179.8° | 179.8° |
| C10 | C09 | C08 | C07 | 0.4° | 0.5° |
| C09 | C10 | C05 | H1 | 180.0° | 179.8° |
| C09 | C10 | C05 | C06 | 0.8° | 0.3° |
| C09 | C10 | C05 | C02 | 179.2° | 179.7° |
| C13 | N15 | C16 | H36 | 180.0° | 180.0° |
| C13 | N15 | C16 | C17 | 138.6° | 155.0° |
| C13 | N15 | C16 | C21 | 92.2° | 85.0° |
| N15 | C13 | C12 | H21 | 1.3° | 71.9° |
| C13 | N15 | C16 | H22 | 23.3° | 35.0° |
| C08 | C07 | C06 | H19 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 0.3° | 0.0° |
| C08 | C07 | C06 | H18 | 179.7° | 179.9° |
| C07 | C08 | C09 | H20 | 179.6° | 180.0° |
| C10 | C05 | C06 | C07 | 0.3° | 0.0° |
| C10 | C05 | C06 | C02 | 179.9° | 180.0° |
| C10 | C05 | C02 | C04 | 0.4° | 180.0° |
| C10 | C05 | C02 | C01 | 119.8° | 60.0° |
| C10 | C05 | C02 | C03 | 119.9° | 60.0° |
| C10 | C05 | C06 | H18 | 179.8° | 179.9° |
| C05 | C10 | C09 | H20 | 179.1° | 180.0° |
| N15 | C16 | C17 | C21 | 124.2° | 120.0° |
| N15 | C16 | C17 | H22 | 115.9° | 119.9° |
| N15 | C16 | C21 | H22 | 116.1° | 120.0° |
| N15 | C16 | C17 | C18 | 147.8° | 180.0° |
| N15 | C16 | C21 | C20 | 159.3° | 180.0° |
| N15 | C16 | C17 | H2 | 91.4° | 60.0° |
| N15 | C16 | C17 | H3 | 27.1° | 60.1° |
| N15 | C16 | C21 | H6 | 38.3° | 60.0° |
| N15 | C16 | C21 | H7 | 79.7° | 60.0° |
| C17 | C16 | C21 | H22 | 120.0° | 120.0° |
| C16 | C17 | C18 | H2 | 120.8° | 120.0° |
| C16 | C17 | C18 | H3 | 120.7° | 120.0° |
| C17 | C16 | C21 | C20 | 35.4° | 60.0° |
| C16 | C17 | C18 | C19 | 22.7° | 60.0° |
| C16 | C17 | H2 | H3 | 117.6° | 120.1° |
| C17 | C16 | C21 | H6 | 85.6° | 180.0° |
| C17 | C16 | C21 | H7 | 156.4° | 60.0° |
| C16 | C17 | C18 | H23 | 143.4° | 60.0° |
| C16 | C17 | C18 | H24 | 97.9° | 180.0° |
| C17 | C16 | N15 | H36 | 41.4° | 25.0° |
| C21 | C16 | C17 | C18 | 23.7° | 60.0° |
| C16 | C21 | C20 | H6 | 121.0° | 120.0° |
| C16 | C21 | C20 | H7 | 121.0° | 120.0° |
| C16 | C21 | C20 | C19 | 0.8° | 60.0° |
| C21 | C16 | C17 | H2 | 144.5° | 180.0° |
| C21 | C16 | C17 | H3 | 97.1° | 60.0° |
| C16 | C21 | C20 | H4 | 119.8° | 180.0° |
| C16 | C21 | C20 | H5 | 121.5° | 60.1° |
| C16 | C21 | H6 | H7 | 116.9° | 120.0° |
| C21 | C16 | N15 | H36 | 87.8° | 95.0° |
| C17 | C18 | C19 | H23 | 120.7° | 120.0° |
| C17 | C18 | C19 | H24 | 120.7° | 120.0° |
| C17 | C18 | C19 | C20 | 59.1° | 60.0° |
| C18 | C17 | H2 | H3 | 117.7° | 120.0° |
| C18 | C17 | C16 | H22 | 96.3° | 60.1° |
| C17 | C18 | H23 | H24 | 118.0° | 120.0° |
| C17 | C18 | C19 | H25 | 61.2° | 60.0° |
| C17 | C18 | C19 | H26 | 179.4° | 180.0° |
| C07 | C06 | C05 | H18 | 180.0° | 179.9° |
| C07 | C06 | C05 | C02 | 179.8° | 180.0° |
| C06 | C05 | C02 | C04 | 179.7° | 0.0° |
| C06 | C05 | C02 | C01 | 60.1° | 120.0° |
| C06 | C05 | C02 | C03 | 60.1° | 120.0° |
| C06 | C05 | C10 | H1 | 179.2° | 179.9° |
| C05 | C06 | C07 | H19 | 179.7° | 180.0° |
| C05 | C02 | C04 | C01 | 118.3° | 119.9° |
| C05 | C02 | C04 | C03 | 119.4° | 120.0° |
| C05 | C02 | C01 | C03 | 118.0° | 120.0° |
| C02 | C05 | C10 | H1 | 0.8° | 0.1° |
| C05 | C02 | C01 | H9 | 180.0° | 60.0° |
| C05 | C02 | C01 | H10 | 60.0° | 60.0° |
| C05 | C02 | C01 | H11 | 60.0° | 180.0° |
| C05 | C02 | C03 | H12 | 180.0° | 180.0° |
| C05 | C02 | C03 | H13 | 60.0° | 60.1° |
| C05 | C02 | C03 | H14 | 60.0° | 60.0° |
| C05 | C02 | C04 | H15 | 180.0° | 60.0° |
| C05 | C02 | C04 | H16 | 60.0° | 60.0° |
| C05 | C02 | C04 | H17 | 60.0° | 180.0° |
| C02 | C05 | C06 | H18 | 0.2° | 0.1° |
| C04 | C02 | C01 | C03 | 120.2° | 120.1° |
| C04 | C02 | C01 | H9 | 58.2° | 180.0° |
| C04 | C02 | C01 | H10 | 61.9° | 60.0° |
| C04 | C02 | C01 | H11 | 178.2° | 60.0° |
| C04 | C02 | C03 | H12 | 58.0° | 60.1° |
| C04 | C02 | C03 | H13 | 178.0° | 59.9° |
| C04 | C02 | C03 | H14 | 62.0° | 180.0° |
| C02 | C04 | H15 | H16 | 120.0° | 120.0° |
| C02 | C04 | H15 | H17 | 120.0° | 119.9° |
| C02 | C04 | H16 | H17 | 120.0° | 119.9° |
| C21 | C20 | C19 | C18 | 46.7° | 60.0° |
| C21 | C20 | C19 | H4 | 120.7° | 120.0° |
| C21 | C20 | C19 | H5 | 120.7° | 120.0° |
| C21 | C20 | H4 | H5 | 117.9° | 120.0° |
| C20 | C21 | H6 | H7 | 116.9° | 120.0° |
| C20 | C21 | C16 | H22 | 84.6° | 60.0° |
| C21 | C20 | C19 | H25 | 73.6° | 60.0° |
| C21 | C20 | C19 | H26 | 167.0° | 180.0° |
| C18 | C19 | C20 | H25 | 120.3° | 120.0° |
| C18 | C19 | C20 | H26 | 120.3° | 120.0° |
| C19 | C18 | C17 | H2 | 98.0° | 180.0° |
| C19 | C18 | C17 | H3 | 143.5° | 60.0° |
| C18 | C19 | C20 | H4 | 74.0° | 180.0° |
| C18 | C19 | C20 | H5 | 167.4° | 60.0° |
| C19 | C18 | H23 | H24 | 118.0° | 120.0° |
| C18 | C19 | H25 | H26 | 119.0° | 120.1° |
| C19 | C20 | H4 | H5 | 118.0° | 120.1° |
| C19 | C20 | C21 | H6 | 121.8° | 180.0° |
| C19 | C20 | C21 | H7 | 120.2° | 60.0° |
| C20 | C19 | C18 | H23 | 179.8° | 60.0° |
| C20 | C19 | C18 | H24 | 61.5° | 180.0° |
| C20 | C19 | H25 | H26 | 119.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.1° |
| C02 | C01 | H9 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C01 | C02 | C03 | H12 | 63.0° | 60.0° |
| C01 | C02 | C03 | H13 | 57.0° | 180.0° |
| C01 | C02 | C03 | H14 | 177.0° | 60.0° |
| C01 | C02 | C04 | H15 | 61.7° | 59.9° |
| C01 | C02 | C04 | H16 | 178.3° | 180.0° |
| C01 | C02 | C04 | H17 | 58.3° | 60.0° |
| C03 | C02 | C01 | H9 | 62.0° | 59.9° |
| C03 | C02 | C01 | H10 | 177.9° | 180.0° |
| C03 | C02 | C01 | H11 | 57.9° | 60.0° |
| C02 | C03 | H12 | H13 | 120.0° | 120.0° |
| C02 | C03 | H12 | H14 | 120.0° | 120.0° |
| C02 | C03 | H13 | H14 | 120.0° | 120.1° |
| C03 | C02 | C04 | H15 | 60.6° | 180.0° |
| C03 | C02 | C04 | H16 | 59.5° | 59.9° |
| C03 | C02 | C04 | H17 | 179.4° | 60.0° |
| H1 | C10 | C09 | H20 | 0.9° | 0.2° |
| H2 | C17 | C16 | H22 | 24.5° | 59.9° |
| H2 | C17 | C18 | H23 | 22.6° | 60.0° |
| H2 | C17 | C18 | H24 | 141.3° | 60.0° |
| H3 | C17 | C16 | H22 | 142.9° | 180.0° |
| H3 | C17 | C18 | H23 | 95.9° | 180.0° |
| H3 | C17 | C18 | H24 | 22.8° | 60.0° |
| H4 | C20 | C21 | H6 | 1.2° | 60.0° |
| H4 | C20 | C21 | H7 | 119.2° | 60.0° |
| H4 | C20 | C19 | H25 | 165.7° | 60.0° |
| H4 | C20 | C19 | H26 | 46.4° | 60.0° |
| H5 | C20 | C21 | H6 | 117.5° | 59.9° |
| H5 | C20 | C21 | H7 | 0.5° | 179.9° |
| H5 | C20 | C19 | H25 | 47.0° | 180.0° |
| H5 | C20 | C19 | H26 | 72.3° | 60.0° |
| H6 | C21 | C16 | H22 | 154.4° | 59.9° |
| H7 | C21 | C16 | H22 | 36.4° | 180.0° |
| H8 | C24 | C23 | H27 | 2.3° | 0.0° |
| H8 | C24 | C25 | H28 | 1.4° | 0.0° |
| H9 | C01 | H10 | H11 | 120.0° | 120.0° |
| H12 | C03 | H13 | H14 | 120.0° | 120.0° |
| H15 | C04 | H16 | H17 | 120.0° | 120.0° |
| H18 | C06 | C07 | H19 | 0.3° | 0.1° |
| H22 | C16 | N15 | H36 | 156.7° | 145.0° |
| H23 | C18 | C19 | H25 | 59.4° | 180.0° |
| H23 | C18 | C19 | H26 | 59.9° | 60.0° |
| H24 | C18 | C19 | H25 | 178.1° | 60.0° |
| H24 | C18 | C19 | H26 | 58.8° | 60.0° |
| H30 | C31 | H31 | H32 | 120.0° | 120.0° |
| H33 | C32 | H34 | H35 | 120.0° | 120.0° |
