JWI
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 | 1.39Å | Aromatic |
| C27 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C12 | sing | 1.51Å | 1.53Å | |
| O29 | C28 | doub | 1.21Å | 1.18Å | |
| C30 | C28 | sing | 1.51Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C28 | N11 | sing | 1.35Å | 1.47Å | |
| O14 | C13 | doub | 1.21Å | 1.20Å | |
| C31 | O32 | sing | 1.43Å | 1.42Å | |
| N11 | C12 | sing | 1.47Å | 1.47Å | |
| N11 | C08 | sing | 1.40Å | 1.47Å | |
| C07 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C13 | N15 | sing | 1.35Å | 1.45Å | |
| C08 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| N15 | C16 | sing | 1.46Å | 1.47Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C21 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C05 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C02 | sing | 1.51Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C04 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | 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 | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| N15 | H34 | sing | 0.97Å | 1.00Å | |
| O32 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N26 | C25 | C24 | 120.7° | 120.8° |
| C25 | N26 | C27 | 121.4° | 121.8° |
| N26 | C25 | H28 | 119.6° | 119.7° |
| C25 | C24 | C23 | 119.3° | 119.2° |
| C25 | C24 | H8 | 120.3° | 120.4° |
| C24 | C25 | H28 | 119.6° | 119.6° |
| N26 | C27 | C22 | 121.8° | 120.7° |
| N26 | C27 | H29 | 119.1° | 119.7° |
| C24 | C23 | C22 | 118.6° | 118.4° |
| C23 | C24 | H8 | 120.4° | 120.4° |
| C24 | C23 | H27 | 120.7° | 120.8° |
| C27 | C22 | C23 | 118.1° | 119.1° |
| C27 | C22 | C12 | 120.8° | 120.4° |
| C22 | C27 | H29 | 119.1° | 119.6° |
| C23 | C22 | C12 | 121.1° | 120.4° |
| C22 | C23 | H27 | 120.7° | 120.8° |
| C22 | C12 | N11 | 111.8° | 109.4° |
| C22 | C12 | C13 | 101.2° | 109.5° |
| C22 | C12 | H21 | 110.8° | 109.5° |
| O29 | C28 | C30 | 116.8° | 120.0° |
| O29 | C28 | N11 | 119.3° | 120.0° |
| C28 | C30 | C31 | 112.3° | 109.5° |
| C30 | C28 | N11 | 123.6° | 120.0° |
| C28 | C30 | H30 | 108.8° | 109.4° |
| C28 | C30 | H31 | 108.8° | 109.5° |
| C30 | C31 | O32 | 107.4° | 109.4° |
| C31 | C30 | H30 | 108.8° | 109.5° |
| C31 | C30 | H31 | 108.8° | 109.4° |
| C30 | C31 | H32 | 110.0° | 109.5° |
| C30 | C31 | H33 | 110.0° | 109.5° |
| C28 | N11 | C12 | 121.1° | 120.0° |
| C28 | N11 | C08 | 123.0° | 120.0° |
| O14 | C13 | C12 | 121.5° | 120.0° |
| O14 | C13 | N15 | 116.9° | 120.0° |
| O32 | C31 | H32 | 110.0° | 109.4° |
| O32 | C31 | H33 | 110.0° | 109.5° |
| C31 | O32 | H35 | 109.5° | 114.0° |
| C12 | N11 | C08 | 115.8° | 120.0° |
| N11 | C12 | C13 | 110.1° | 109.5° |
| N11 | C12 | H21 | 111.8° | 109.5° |
| N11 | C08 | C07 | 124.8° | 120.1° |
| N11 | C08 | C09 | 116.0° | 120.0° |
| C08 | C07 | C06 | 120.0° | 119.9° |
| C07 | C08 | C09 | 119.2° | 119.9° |
| C08 | C07 | H19 | 120.0° | 120.1° |
| C07 | C06 | C05 | 120.0° | 120.1° |
| C07 | C06 | H18 | 120.0° | 120.0° |
| C06 | C07 | H19 | 120.0° | 120.1° |
| C12 | C13 | N15 | 121.5° | 120.0° |
| C13 | C12 | H21 | 110.6° | 109.5° |
| C13 | N15 | C16 | 118.5° | 120.0° |
| C13 | N15 | H34 | 120.8° | 120.0° |
| C08 | C09 | C10 | 120.6° | 119.9° |
| C08 | C09 | H20 | 119.7° | 120.1° |
| C06 | C05 | C10 | 119.9° | 120.1° |
| C06 | C05 | C02 | 121.2° | 120.0° |
| C05 | C06 | H18 | 120.0° | 119.9° |
| N15 | C16 | C17 | 109.1° | 109.5° |
| N15 | C16 | C21 | 108.3° | 109.5° |
| N15 | C16 | H22 | 109.4° | 109.5° |
| C16 | N15 | H34 | 120.8° | 120.0° |
| C16 | C17 | C18 | 111.5° | 109.5° |
| C17 | C16 | C21 | 113.0° | 109.4° |
| C16 | C17 | H2 | 109.0° | 109.5° |
| C16 | C17 | H3 | 108.9° | 109.5° |
| C17 | C16 | H22 | 108.5° | 109.5° |
| C17 | C18 | C19 | 112.7° | 109.5° |
| C18 | C17 | H2 | 109.0° | 109.5° |
| C18 | C17 | H3 | 109.0° | 109.5° |
| C17 | C18 | H23 | 108.7° | 109.5° |
| C17 | C18 | H24 | 108.6° | 109.5° |
| C16 | C21 | C20 | 114.0° | 109.5° |
| C16 | C21 | H6 | 108.3° | 109.4° |
| C16 | C21 | H7 | 108.3° | 109.5° |
| C21 | C16 | H22 | 108.5° | 109.4° |
| C18 | C19 | C20 | 113.9° | 109.5° |
| C19 | C18 | H23 | 108.7° | 109.4° |
| C19 | C18 | H24 | 108.7° | 109.5° |
| C18 | C19 | H25 | 108.4° | 109.5° |
| C18 | C19 | H26 | 108.4° | 109.5° |
| C09 | C10 | C05 | 120.2° | 120.0° |
| C09 | C10 | H1 | 119.9° | 119.9° |
| C10 | C09 | H20 | 119.7° | 120.0° |
| C01 | C02 | C05 | 110.9° | 109.5° |
| C01 | C02 | C03 | 109.3° | 109.4° |
| C01 | C02 | C04 | 108.3° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.4° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C10 | C05 | C02 | 118.9° | 119.9° |
| C05 | C10 | H1 | 119.9° | 120.0° |
| C05 | C02 | C03 | 108.4° | 109.5° |
| C05 | C02 | C04 | 109.3° | 109.5° |
| C21 | C20 | C19 | 114.3° | 109.4° |
| C21 | C20 | H4 | 108.3° | 109.4° |
| C21 | C20 | H5 | 108.2° | 109.5° |
| C20 | C21 | H6 | 108.3° | 109.4° |
| C20 | C21 | H7 | 108.3° | 109.5° |
| C03 | C02 | C04 | 110.6° | 109.5° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| C02 | C03 | H13 | 109.5° | 109.5° |
| C02 | C03 | H14 | 109.4° | 109.5° |
| C02 | C04 | H15 | 109.5° | 109.4° |
| C02 | C04 | H16 | 109.5° | 109.5° |
| C02 | C04 | H17 | 109.5° | 109.5° |
| C19 | C20 | H4 | 108.2° | 109.5° |
| C19 | C20 | H5 | 108.3° | 109.5° |
| C20 | C19 | H25 | 108.3° | 109.5° |
| C20 | C19 | H26 | 108.3° | 109.4° |
| H2 | C17 | H3 | 109.5° | 109.4° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.4° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H12 | C03 | H13 | 109.4° | 109.5° |
| H12 | C03 | H14 | 109.5° | 109.5° |
| H13 | C03 | H14 | 109.5° | 109.4° |
| H15 | C04 | H16 | 109.5° | 109.5° |
| H15 | C04 | H17 | 109.5° | 109.4° |
| H16 | C04 | H17 | 109.4° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.4° |
| H30 | C30 | H31 | 109.5° | 109.5° |
| H32 | C31 | H33 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N26 | C25 | C24 | H28 | 180.0° | 179.6° |
| N26 | C25 | C24 | C23 | 0.0° | 0.3° |
| C25 | N26 | C27 | C22 | 0.6° | 0.0° |
| N26 | C25 | C24 | H8 | 180.0° | 179.7° |
| C25 | N26 | C27 | H29 | 179.4° | 180.0° |
| C24 | C25 | N26 | C27 | 0.5° | 0.4° |
| C25 | C24 | C23 | H8 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.4° | 0.0° |
| C25 | C24 | C23 | H27 | 179.6° | 180.0° |
| N26 | C27 | C22 | H29 | 180.0° | 180.0° |
| N26 | C27 | C22 | C23 | 0.1° | 0.3° |
| N26 | C27 | C22 | C12 | 178.8° | 180.0° |
| C27 | N26 | C25 | H28 | 179.5° | 180.0° |
| C24 | C23 | C22 | C27 | 0.3° | 0.3° |
| C24 | C23 | C22 | H27 | 180.0° | 180.0° |
| C24 | C23 | C22 | C12 | 179.3° | 180.0° |
| C23 | C24 | C25 | H28 | 180.0° | 180.0° |
| C27 | C22 | C23 | C12 | 178.9° | 179.6° |
| C27 | C22 | C12 | N11 | 39.2° | 57.8° |
| C27 | C22 | C12 | C13 | 78.0° | 62.1° |
| C27 | C22 | C12 | H21 | 164.6° | 177.8° |
| C27 | C22 | C23 | H27 | 179.7° | 179.7° |
| C23 | C22 | C12 | N11 | 141.9° | 122.5° |
| C23 | C22 | C12 | C13 | 100.9° | 117.5° |
| C22 | C23 | C24 | H8 | 179.6° | 180.0° |
| C23 | C22 | C12 | H21 | 16.5° | 2.5° |
| C23 | C22 | C27 | H29 | 179.8° | 179.7° |
| C22 | C12 | N11 | C28 | 47.7° | 174.4° |
| C22 | C12 | C13 | O14 | 59.0° | 120.0° |
| C22 | C12 | N11 | C13 | 111.8° | 120.0° |
| C22 | C12 | N11 | H21 | 124.8° | 120.0° |
| C22 | C12 | N11 | C08 | 135.4° | 5.5° |
| C22 | C12 | C13 | H21 | 117.5° | 120.0° |
| C22 | C12 | C13 | N15 | 119.8° | 60.1° |
| C12 | C22 | C23 | H27 | 0.8° | 0.1° |
| C12 | C22 | C27 | H29 | 1.2° | 0.0° |
| O29 | C28 | C30 | N11 | 174.7° | 179.9° |
| O29 | C28 | C30 | C31 | 45.7° | 5.4° |
| O29 | C28 | N11 | C12 | 2.0° | 4.9° |
| O29 | C28 | N11 | C08 | 178.6° | 175.0° |
| O29 | C28 | C30 | H30 | 74.7° | 125.4° |
| O29 | C28 | C30 | H31 | 166.1° | 114.6° |
| C28 | C30 | C31 | H30 | 120.4° | 120.0° |
| C28 | C30 | C31 | H31 | 120.4° | 120.0° |
| C28 | C30 | C31 | O32 | 61.3° | 180.0° |
| C30 | C28 | N11 | C12 | 176.6° | 175.0° |
| C30 | C28 | N11 | C08 | 6.8° | 5.1° |
| C28 | C30 | H30 | H31 | 118.7° | 120.0° |
| C28 | C30 | C31 | H32 | 58.4° | 60.1° |
| C28 | C30 | C31 | H33 | 179.0° | 60.0° |
| C31 | C30 | C28 | N11 | 139.6° | 174.7° |
| C30 | C31 | O32 | H32 | 119.7° | 119.9° |
| C30 | C31 | O32 | H33 | 119.7° | 120.0° |
| C31 | C30 | H30 | H31 | 118.7° | 120.0° |
| C30 | C31 | H32 | H33 | 121.0° | 120.0° |
| C30 | C31 | O32 | H35 | 180.0° | 180.0° |
| C28 | N11 | C12 | C08 | 176.8° | 179.9° |
| C28 | N11 | C08 | C07 | 77.2° | 110.1° |
| C28 | N11 | C12 | C13 | 159.5° | 65.6° |
| C28 | N11 | C08 | C09 | 104.3° | 69.6° |
| C28 | N11 | C12 | H21 | 77.1° | 54.4° |
| N11 | C28 | C30 | H30 | 99.9° | 54.7° |
| N11 | C28 | C30 | H31 | 19.2° | 65.3° |
| O14 | C13 | C12 | N11 | 59.5° | 0.1° |
| O14 | C13 | C12 | N15 | 178.7° | 179.9° |
| O14 | C13 | N15 | C16 | 1.2° | 0.1° |
| O14 | C13 | C12 | H21 | 176.4° | 120.0° |
| O14 | C13 | N15 | H34 | 178.8° | 180.0° |
| O32 | C31 | C30 | H30 | 178.3° | 60.0° |
| O32 | C31 | C30 | H31 | 59.1° | 60.0° |
| O32 | C31 | H32 | H33 | 121.0° | 120.0° |
| C12 | N11 | C08 | C07 | 106.0° | 69.9° |
| N11 | C12 | C13 | H21 | 124.1° | 120.1° |
| N11 | C12 | C13 | N15 | 121.7° | 180.0° |
| C12 | N11 | C08 | C09 | 72.5° | 110.4° |
| N11 | C08 | C07 | C09 | 178.4° | 179.7° |
| N11 | C08 | C07 | C06 | 178.8° | 180.0° |
| C08 | N11 | C12 | C13 | 23.7° | 114.4° |
| N11 | C08 | C09 | C10 | 178.9° | 179.7° |
| N11 | C08 | C07 | H19 | 1.3° | 0.2° |
| N11 | C08 | C09 | H20 | 1.1° | 0.3° |
| C08 | N11 | C12 | H21 | 99.7° | 125.5° |
| C08 | C07 | C06 | H19 | 180.0° | 179.8° |
| C08 | C07 | C06 | C05 | 0.0° | 0.0° |
| C07 | C08 | C09 | C10 | 0.3° | 0.6° |
| C08 | C07 | C06 | H18 | 179.9° | 180.0° |
| C07 | C08 | C09 | H20 | 179.7° | 180.0° |
| C06 | C07 | C08 | C09 | 0.3° | 0.3° |
| C07 | C06 | C05 | H18 | 180.0° | 180.0° |
| C07 | C06 | C05 | C10 | 0.5° | 0.0° |
| C07 | C06 | C05 | C02 | 180.0° | 180.0° |
| C12 | C13 | N15 | C16 | 180.0° | 180.0° |
| C12 | C13 | N15 | H34 | 0.0° | 0.1° |
| C13 | N15 | C16 | H34 | 180.0° | 180.0° |
| C13 | N15 | C16 | C17 | 117.5° | 155.0° |
| C13 | N15 | C16 | C21 | 119.2° | 85.0° |
| N15 | C13 | C12 | H21 | 2.3° | 59.9° |
| C13 | N15 | C16 | H22 | 1.1° | 34.9° |
| C08 | C09 | C10 | H20 | 180.0° | 179.4° |
| C08 | C09 | C10 | C05 | 0.1° | 0.6° |
| C08 | C09 | C10 | H1 | 179.9° | 179.7° |
| C09 | C08 | C07 | H19 | 179.7° | 179.9° |
| C06 | C05 | C10 | C09 | 0.5° | 0.3° |
| C06 | C05 | C02 | C01 | 0.3° | 120.0° |
| C06 | C05 | C10 | C02 | 179.5° | 180.0° |
| C06 | C05 | C02 | C03 | 119.7° | 120.0° |
| C06 | C05 | C02 | C04 | 119.7° | 0.0° |
| C06 | C05 | C10 | H1 | 179.5° | 180.0° |
| C05 | C06 | C07 | H19 | 179.9° | 179.8° |
| N15 | C16 | C17 | C21 | 120.5° | 120.0° |
| N15 | C16 | C17 | H22 | 119.1° | 120.1° |
| N15 | C16 | C17 | C18 | 173.8° | 180.0° |
| N15 | C16 | C21 | H22 | 118.7° | 120.0° |
| N15 | C16 | C21 | C20 | 169.6° | 179.9° |
| N15 | C16 | C17 | H2 | 65.9° | 60.0° |
| N15 | C16 | C17 | H3 | 53.5° | 59.9° |
| N15 | C16 | C21 | H6 | 49.0° | 60.0° |
| N15 | C16 | C21 | H7 | 69.7° | 60.0° |
| C16 | C17 | C18 | H2 | 120.3° | 120.0° |
| C16 | C17 | C18 | H3 | 120.3° | 120.0° |
| C17 | C16 | C21 | H22 | 120.4° | 119.9° |
| C16 | C17 | C18 | C19 | 53.9° | 60.0° |
| C17 | C16 | C21 | C20 | 48.7° | 60.0° |
| C16 | C17 | H2 | H3 | 119.1° | 120.0° |
| C17 | C16 | C21 | H6 | 72.0° | 180.0° |
| C17 | C16 | C21 | H7 | 169.3° | 60.1° |
| C16 | C17 | C18 | H23 | 66.6° | 60.0° |
| C16 | C17 | C18 | H24 | 174.4° | 180.0° |
| C17 | C16 | N15 | H34 | 62.5° | 25.0° |
| C18 | C17 | C16 | C21 | 53.3° | 60.0° |
| C17 | C18 | C19 | H23 | 120.5° | 120.0° |
| C17 | C18 | C19 | H24 | 120.5° | 120.0° |
| C17 | C18 | C19 | C20 | 50.0° | 60.0° |
| C18 | C17 | H2 | H3 | 119.1° | 120.0° |
| C18 | C17 | C16 | H22 | 67.1° | 60.0° |
| C17 | C18 | H23 | H24 | 118.5° | 120.0° |
| C17 | C18 | C19 | H25 | 170.6° | 60.0° |
| C17 | C18 | C19 | H26 | 70.7° | 180.0° |
| C16 | C21 | C20 | H6 | 120.6° | 120.0° |
| C16 | C21 | C20 | H7 | 120.6° | 120.1° |
| C16 | C21 | C20 | C19 | 44.2° | 60.0° |
| C21 | C16 | C17 | H2 | 173.6° | 180.0° |
| C21 | C16 | C17 | H3 | 67.0° | 60.1° |
| C16 | C21 | C20 | H4 | 164.9° | 180.0° |
| C16 | C21 | C20 | H5 | 76.6° | 59.9° |
| C16 | C21 | H6 | H7 | 117.9° | 120.0° |
| C21 | C16 | N15 | H34 | 60.8° | 95.0° |
| C18 | C19 | C20 | C21 | 44.8° | 60.0° |
| C18 | C19 | C20 | H25 | 120.7° | 120.0° |
| C18 | C19 | C20 | H26 | 120.6° | 120.1° |
| C19 | C18 | C17 | H2 | 174.2° | 180.0° |
| C19 | C18 | C17 | H3 | 66.4° | 60.0° |
| C18 | C19 | C20 | H4 | 165.6° | 179.9° |
| C18 | C19 | C20 | H5 | 75.9° | 60.0° |
| C19 | C18 | H23 | H24 | 118.6° | 120.0° |
| C18 | C19 | H25 | H26 | 118.0° | 120.0° |
| C09 | C10 | C05 | H1 | 180.0° | 179.7° |
| C09 | C10 | C05 | C02 | 180.0° | 179.7° |
| C01 | C02 | C05 | C10 | 179.9° | 60.0° |
| C01 | C02 | C05 | C03 | 120.0° | 120.0° |
| C01 | C02 | C05 | C04 | 119.4° | 120.0° |
| C01 | C02 | C03 | C04 | 119.2° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H11 | 120.0° | 120.1° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C01 | C02 | C03 | H12 | 180.0° | 60.0° |
| C01 | C02 | C03 | H13 | 60.0° | 179.9° |
| C01 | C02 | C03 | H14 | 60.0° | 60.1° |
| C01 | C02 | C04 | H15 | 180.0° | 60.0° |
| C01 | C02 | C04 | H16 | 60.0° | 180.0° |
| C01 | C02 | C04 | H17 | 60.0° | 59.9° |
| C10 | C05 | C02 | C03 | 59.8° | 60.0° |
| C10 | C05 | C02 | C04 | 60.8° | 180.0° |
| C10 | C05 | C06 | H18 | 179.5° | 180.0° |
| C05 | C10 | C09 | H20 | 179.9° | 180.0° |
| C05 | C02 | C03 | C04 | 119.8° | 120.0° |
| C02 | C05 | C10 | H1 | 0.0° | 0.0° |
| 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 | 59.0° | 180.0° |
| C05 | C02 | C03 | H13 | 179.0° | 59.9° |
| C05 | C02 | C03 | H14 | 61.0° | 60.0° |
| C05 | C02 | C04 | H15 | 59.1° | 60.0° |
| C05 | C02 | C04 | H16 | 60.9° | 60.0° |
| C05 | C02 | C04 | H17 | 179.1° | 180.0° |
| C02 | C05 | C06 | H18 | 0.0° | 0.0° |
| C21 | C20 | C19 | H4 | 120.7° | 119.9° |
| C21 | C20 | C19 | H5 | 120.7° | 120.0° |
| C21 | C20 | H4 | H5 | 117.8° | 120.1° |
| C20 | C21 | H6 | H7 | 118.0° | 120.0° |
| C20 | C21 | C16 | H22 | 71.7° | 59.9° |
| C21 | C20 | C19 | H25 | 165.5° | 60.0° |
| C21 | C20 | C19 | H26 | 75.8° | 179.9° |
| C03 | C02 | C01 | H9 | 60.5° | 60.0° |
| C03 | C02 | C01 | H10 | 179.5° | 180.0° |
| C03 | C02 | C01 | H11 | 59.5° | 60.0° |
| C02 | C03 | H12 | H13 | 120.0° | 120.0° |
| C02 | C03 | H12 | H14 | 120.0° | 120.0° |
| C02 | C03 | H13 | H14 | 120.0° | 119.9° |
| C03 | C02 | C04 | H15 | 60.2° | 179.9° |
| C03 | C02 | C04 | H16 | 179.8° | 60.0° |
| C03 | C02 | C04 | H17 | 59.8° | 60.0° |
| C04 | C02 | C01 | H9 | 60.1° | 180.0° |
| C04 | C02 | C01 | H10 | 59.9° | 60.0° |
| C04 | C02 | C01 | H11 | 179.9° | 60.0° |
| C04 | C02 | C03 | H12 | 60.8° | 60.0° |
| C04 | C02 | C03 | H13 | 59.2° | 60.1° |
| C04 | C02 | C03 | H14 | 179.2° | 180.0° |
| C02 | C04 | H15 | H16 | 120.0° | 120.0° |
| C02 | C04 | H15 | H17 | 120.0° | 120.0° |
| C02 | C04 | H16 | H17 | 120.0° | 120.0° |
| C19 | C20 | H4 | H5 | 117.8° | 120.0° |
| C19 | C20 | C21 | H6 | 76.5° | 180.0° |
| C19 | C20 | C21 | H7 | 164.8° | 60.0° |
| C20 | C19 | C18 | H23 | 70.5° | 60.0° |
| C20 | C19 | C18 | H24 | 170.4° | 180.0° |
| C20 | C19 | H25 | H26 | 118.0° | 119.9° |
| H1 | C10 | C09 | H20 | 0.1° | 0.3° |
| H2 | C17 | C16 | H22 | 53.3° | 60.1° |
| H2 | C17 | C18 | H23 | 53.7° | 60.0° |
| H2 | C17 | C18 | H24 | 65.3° | 60.0° |
| H3 | C17 | C16 | H22 | 172.6° | 180.0° |
| H3 | C17 | C18 | H23 | 173.1° | 180.0° |
| H3 | C17 | C18 | H24 | 54.1° | 60.0° |
| H4 | C20 | C21 | H6 | 44.2° | 60.0° |
| H4 | C20 | C21 | H7 | 74.5° | 59.9° |
| H4 | C20 | C19 | H25 | 73.8° | 59.9° |
| H4 | C20 | C19 | H26 | 44.9° | 60.0° |
| H5 | C20 | C21 | H6 | 162.8° | 60.0° |
| H5 | C20 | C21 | H7 | 44.1° | 180.0° |
| H5 | C20 | C19 | H25 | 44.8° | 180.0° |
| H5 | C20 | C19 | H26 | 163.5° | 60.1° |
| H6 | C21 | C16 | H22 | 167.6° | 60.0° |
| H7 | C21 | C16 | H22 | 48.9° | 180.0° |
| H8 | C24 | C23 | H27 | 0.4° | 0.0° |
| H8 | C24 | C25 | H28 | 0.0° | 0.1° |
| 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 | 0.1° | 0.2° |
| H22 | C16 | N15 | H34 | 178.9° | 145.0° |
| H23 | C18 | C19 | H25 | 50.1° | 180.0° |
| H23 | C18 | C19 | H26 | 168.8° | 60.0° |
| H24 | C18 | C19 | H25 | 68.9° | 60.0° |
| H24 | C18 | C19 | H26 | 49.8° | 60.0° |
| H30 | C30 | C31 | H32 | 62.1° | 180.0° |
| H30 | C30 | C31 | H33 | 58.6° | 60.0° |
| H31 | C30 | C31 | H32 | 178.8° | 60.0° |
| H31 | C30 | C31 | H33 | 60.6° | 180.0° |
| H32 | C31 | O32 | H35 | 60.3° | 60.1° |
| H33 | C31 | O32 | H35 | 60.3° | 60.0° |
