YHJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C17 | sing | 1.56Å | 1.21Å | |
| C13 | C12 | sing | 1.54Å | 1.64Å | |
| C13 | C14 | sing | 1.54Å | 1.68Å | |
| C15 | C14 | sing | 1.54Å | 1.47Å | |
| C15 | C16 | sing | 1.54Å | 1.32Å | |
| C17 | C18 | sing | 1.54Å | 1.59Å | |
| C21 | C22 | sing | 1.53Å | 1.58Å | |
| C21 | N20 | sing | 1.47Å | 1.50Å | |
| C21 | C29 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.55Å | 1.66Å | |
| C24 | C25 | sing | 1.54Å | 1.33Å | |
| O01 | C02 | doub | 1.22Å | 1.19Å | |
| C02 | O03 | sing | 1.35Å | 1.43Å | |
| C02 | N11 | sing | 1.35Å | 1.44Å | |
| O03 | C04 | sing | 1.45Å | 1.40Å | |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| N11 | C12 | sing | 1.47Å | 1.33Å | |
| N11 | C18 | sing | 1.47Å | 1.43Å | |
| C18 | C19 | sing | 1.51Å | 1.46Å | |
| C19 | N20 | sing | 1.35Å | 1.44Å | |
| C19 | O31 | doub | 1.21Å | 1.19Å | |
| C23 | C27 | sing | 1.51Å | 1.34Å | |
| C25 | N26 | sing | 1.47Å | 1.56Å | |
| N26 | C27 | sing | 1.34Å | 1.54Å | |
| C27 | O28 | doub | 1.21Å | 1.19Å | |
| C29 | O30 | sing | 1.43Å | 1.37Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | 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 | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.08Å | 1.08Å | |
| C07 | H15 | sing | 1.08Å | 1.08Å | |
| C08 | H16 | sing | 1.08Å | 1.08Å | |
| C09 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| N20 | H26 | sing | 0.97Å | 1.00Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| N26 | H30 | sing | 0.97Å | 1.00Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| O30 | H33 | sing | 0.97Å | 0.95Å | |
| C17 | C16 | sing | 1.55Å | 1.70Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C10 | C09 | 118.7° | 120.0° |
| C10 | C05 | C04 | 121.4° | 120.0° |
| C10 | C05 | C06 | 120.3° | 120.0° |
| C05 | C10 | H1 | 120.6° | 120.0° |
| C10 | C09 | C08 | 120.4° | 120.0° |
| C09 | C10 | H1 | 120.6° | 120.0° |
| C10 | C09 | H17 | 119.8° | 120.0° |
| C17 | C13 | C12 | 106.2° | 102.0° |
| C17 | C13 | C14 | 105.3° | 104.8° |
| C13 | C17 | C18 | 107.4° | 103.1° |
| C17 | C13 | H2 | 116.0° | 113.2° |
| C13 | C17 | H5 | 116.8° | 113.6° |
| C13 | C17 | C16 | 108.5° | 103.2° |
| C12 | C13 | C14 | 111.9° | 109.3° |
| C13 | C12 | N11 | 105.2° | 105.3° |
| C12 | C13 | H2 | 108.9° | 113.1° |
| C13 | C12 | H18 | 110.5° | 110.2° |
| C13 | C12 | H19 | 110.5° | 110.3° |
| C13 | C14 | C15 | 106.5° | 107.2° |
| C14 | C13 | H2 | 108.5° | 113.5° |
| C13 | C14 | H20 | 110.2° | 109.9° |
| C13 | C14 | H21 | 110.2° | 109.9° |
| C14 | C15 | C16 | 107.2° | 106.7° |
| C14 | C15 | H3 | 110.0° | 110.0° |
| C14 | C15 | H4 | 110.0° | 110.0° |
| C15 | C14 | H20 | 110.2° | 109.9° |
| C15 | C14 | H21 | 110.2° | 109.9° |
| C16 | C15 | H3 | 110.0° | 110.0° |
| C16 | C15 | H4 | 110.0° | 110.1° |
| C15 | C16 | H22 | 110.0° | 110.3° |
| C15 | C16 | H23 | 110.1° | 110.3° |
| C15 | C16 | C17 | 107.1° | 105.0° |
| C17 | C18 | N11 | 105.5° | 107.7° |
| C17 | C18 | C19 | 107.7° | 109.8° |
| C18 | C17 | H5 | 110.1° | 113.4° |
| C17 | C18 | H25 | 110.0° | 109.8° |
| C18 | C17 | C16 | 104.6° | 108.5° |
| C22 | C21 | N20 | 108.1° | 109.5° |
| C22 | C21 | C29 | 113.1° | 109.5° |
| C21 | C22 | C23 | 115.1° | 109.5° |
| C22 | C21 | H7 | 109.6° | 109.5° |
| C21 | C22 | H8 | 108.0° | 109.4° |
| C21 | C22 | H9 | 108.0° | 109.5° |
| N20 | C21 | C29 | 105.3° | 109.5° |
| C21 | N20 | C19 | 120.8° | 120.0° |
| N20 | C21 | H7 | 110.7° | 109.4° |
| C21 | N20 | H26 | 119.6° | 120.0° |
| C21 | C29 | O30 | 107.9° | 109.5° |
| C29 | C21 | H7 | 110.0° | 109.5° |
| C21 | C29 | H31 | 109.8° | 109.5° |
| C21 | C29 | H32 | 109.9° | 109.5° |
| C22 | C23 | C24 | 111.4° | 110.5° |
| C22 | C23 | C27 | 110.2° | 110.5° |
| C23 | C22 | H8 | 108.0° | 109.4° |
| C23 | C22 | H9 | 108.0° | 109.5° |
| C22 | C23 | H27 | 109.0° | 110.4° |
| C23 | C24 | C25 | 105.6° | 101.8° |
| C24 | C23 | C27 | 106.7° | 104.2° |
| C23 | C24 | H10 | 110.4° | 110.9° |
| C23 | C24 | H11 | 110.4° | 111.0° |
| C24 | C23 | H27 | 107.6° | 110.5° |
| C24 | C25 | N26 | 105.0° | 105.5° |
| C25 | C24 | H10 | 110.4° | 111.0° |
| C25 | C24 | H11 | 110.4° | 111.0° |
| C24 | C25 | H28 | 110.6° | 110.3° |
| C24 | C25 | H29 | 110.6° | 110.3° |
| O01 | C02 | O03 | 125.1° | 120.0° |
| O01 | C02 | N11 | 117.3° | 120.0° |
| O03 | C02 | N11 | 117.6° | 120.0° |
| C02 | O03 | C04 | 111.9° | 117.0° |
| C02 | N11 | C12 | 127.9° | 125.6° |
| C02 | N11 | C18 | 123.7° | 125.6° |
| O03 | C04 | C05 | 110.3° | 109.5° |
| O03 | C04 | H12 | 109.2° | 109.5° |
| O03 | C04 | H13 | 109.3° | 109.5° |
| C04 | C05 | C06 | 118.3° | 120.0° |
| C05 | C04 | H12 | 109.3° | 109.4° |
| C05 | C04 | H13 | 109.2° | 109.5° |
| C05 | C06 | C07 | 120.2° | 120.0° |
| C05 | C06 | H14 | 119.9° | 120.0° |
| C06 | C07 | C08 | 119.6° | 120.0° |
| C07 | C06 | H14 | 119.9° | 120.0° |
| C06 | C07 | H15 | 120.2° | 120.0° |
| C07 | C08 | C09 | 120.7° | 120.0° |
| C08 | C07 | H15 | 120.2° | 120.0° |
| C07 | C08 | H16 | 119.6° | 120.0° |
| C09 | C08 | H16 | 119.6° | 120.0° |
| C08 | C09 | H17 | 119.8° | 120.0° |
| C12 | N11 | C18 | 108.4° | 108.7° |
| N11 | C12 | H18 | 110.5° | 110.2° |
| N11 | C12 | H19 | 110.6° | 110.3° |
| N11 | C18 | C19 | 109.0° | 109.8° |
| N11 | C18 | H25 | 112.4° | 109.8° |
| C18 | C19 | N20 | 117.1° | 120.0° |
| C18 | C19 | O31 | 121.4° | 120.0° |
| C19 | C18 | H25 | 111.9° | 109.9° |
| N20 | C19 | O31 | 121.5° | 120.0° |
| C19 | N20 | H26 | 119.6° | 120.0° |
| C23 | C27 | N26 | 106.1° | 110.1° |
| C23 | C27 | O28 | 128.0° | 124.9° |
| C27 | C23 | H27 | 111.9° | 110.6° |
| C25 | N26 | C27 | 107.2° | 111.3° |
| N26 | C25 | H28 | 110.6° | 110.2° |
| N26 | C25 | H29 | 110.6° | 110.2° |
| C25 | N26 | H30 | 126.4° | 124.4° |
| N26 | C27 | O28 | 125.8° | 125.0° |
| C27 | N26 | H30 | 126.3° | 124.3° |
| O30 | C29 | H31 | 109.8° | 109.5° |
| O30 | C29 | H32 | 109.8° | 109.5° |
| C29 | O30 | H33 | 109.5° | 114.0° |
| H3 | C15 | H4 | 109.5° | 110.0° |
| H5 | C17 | C16 | 108.8° | 114.1° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 110.9° |
| H12 | C04 | H13 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 110.4° |
| H20 | C14 | H21 | 109.5° | 110.1° |
| H22 | C16 | H23 | 109.5° | 110.4° |
| H22 | C16 | C17 | 110.0° | 110.3° |
| H23 | C16 | C17 | 110.1° | 110.3° |
| H28 | C25 | H29 | 109.5° | 110.3° |
| H31 | C29 | H32 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C05 | C04 | O03 | 31.9° | 90.0° |
| C10 | C05 | C04 | C06 | 177.5° | 180.0° |
| C10 | C05 | C06 | C07 | 1.9° | 0.0° |
| C05 | C10 | C09 | C08 | 1.2° | NaN° |
| C10 | C05 | C04 | H12 | 152.0° | 30.0° |
| C10 | C05 | C04 | H13 | 88.2° | 150.0° |
| C10 | C05 | C06 | H14 | 178.1° | 180.0° |
| C05 | C10 | C09 | H17 | 178.8° | 180.0° |
| C09 | C10 | C05 | C04 | 179.1° | 180.0° |
| C09 | C10 | C05 | C06 | 1.6° | 0.0° |
| C10 | C09 | C08 | C07 | 1.2° | 0.0° |
| C10 | C09 | C08 | H17 | 180.0° | 180.0° |
| C10 | C09 | C08 | H16 | 178.8° | 180.0° |
| C17 | C13 | C12 | C14 | 114.4° | 110.6° |
| C17 | C13 | C12 | H2 | 125.6° | 121.9° |
| C17 | C13 | C14 | H2 | 124.9° | 124.0° |
| C17 | C13 | C14 | C15 | 7.6° | 20.3° |
| C13 | C17 | C16 | C15 | 25.6° | 35.4° |
| C13 | C17 | C18 | H5 | 128.1° | 123.2° |
| C13 | C17 | C18 | C16 | 115.2° | 109.0° |
| C17 | C13 | C12 | N11 | 28.6° | 35.4° |
| C13 | C17 | C18 | N11 | 14.2° | 20.1° |
| C13 | C17 | C18 | C19 | 130.5° | 99.5° |
| C13 | C17 | H5 | C16 | 123.2° | 117.9° |
| C17 | C13 | C12 | H18 | 90.7° | 154.2° |
| C17 | C13 | C12 | H19 | 147.9° | 83.7° |
| C17 | C13 | C14 | H20 | 111.9° | 139.7° |
| C17 | C13 | C14 | H21 | 127.2° | 99.1° |
| C13 | C17 | C16 | H22 | 145.2° | 83.5° |
| C13 | C17 | C16 | H23 | 94.1° | 154.2° |
| C13 | C17 | C18 | H25 | 107.3° | 139.6° |
| C12 | C13 | C14 | H2 | 120.2° | 127.3° |
| C12 | C13 | C14 | C15 | 122.6° | 88.4° |
| C12 | C13 | C17 | C18 | 23.9° | 33.2° |
| C13 | C12 | N11 | C02 | 159.4° | 156.2° |
| C13 | C12 | N11 | H18 | 119.3° | 118.9° |
| C13 | C12 | N11 | H19 | 119.3° | 119.0° |
| C13 | C12 | N11 | C18 | 18.1° | 23.8° |
| C12 | C13 | C17 | H5 | 100.2° | 156.3° |
| C13 | C12 | H18 | H19 | 122.0° | 122.1° |
| C12 | C13 | C14 | H20 | 3.1° | 31.0° |
| C12 | C13 | C14 | H21 | 117.8° | 152.3° |
| C12 | C13 | C17 | C16 | 136.4° | 79.7° |
| C13 | C14 | C15 | H20 | 119.5° | 119.4° |
| C13 | C14 | C15 | H21 | 119.5° | 119.4° |
| C13 | C14 | C15 | C16 | 9.3° | 1.7° |
| C14 | C13 | C17 | C18 | 95.0° | 147.2° |
| C14 | C13 | C12 | N11 | 85.8° | 145.9° |
| C13 | C14 | C15 | H3 | 110.4° | 121.0° |
| C13 | C14 | C15 | H4 | 128.9° | 117.7° |
| C14 | C13 | C17 | H5 | 140.9° | 89.7° |
| C14 | C13 | C12 | H18 | 154.9° | 95.2° |
| C14 | C13 | C12 | H19 | 33.5° | 26.9° |
| C13 | C14 | H20 | H21 | 121.4° | 121.2° |
| C14 | C13 | C17 | C16 | 17.6° | 34.3° |
| C14 | C15 | C16 | H3 | 119.7° | 119.3° |
| C14 | C15 | C16 | H4 | 119.7° | 119.3° |
| C15 | C14 | C13 | H2 | 117.2° | 144.3° |
| C14 | C15 | H3 | H4 | 121.0° | 121.3° |
| C15 | C14 | H20 | H21 | 121.4° | 121.1° |
| C14 | C15 | C16 | H22 | 138.2° | 95.6° |
| C14 | C15 | C16 | H23 | 101.1° | 142.1° |
| C14 | C15 | C16 | C17 | 18.6° | 23.2° |
| C15 | C16 | C17 | C18 | 88.8° | 144.3° |
| C16 | C15 | H3 | H4 | 121.0° | 121.4° |
| C15 | C16 | C17 | H5 | 153.6° | 88.3° |
| C16 | C15 | C14 | H20 | 128.8° | 117.7° |
| C16 | C15 | C14 | H21 | 110.3° | 121.0° |
| C15 | C16 | H22 | H23 | 121.1° | 122.2° |
| C15 | C16 | H22 | C17 | 117.8° | 115.5° |
| C15 | C16 | H23 | C17 | 117.9° | 115.5° |
| C17 | C18 | N11 | C02 | 172.2° | 178.0° |
| C17 | C18 | N11 | C12 | 5.5° | 2.1° |
| C17 | C18 | N11 | C19 | 115.4° | 119.5° |
| C17 | C18 | N11 | H25 | 120.0° | 119.6° |
| C17 | C18 | C19 | H25 | 121.0° | 120.9° |
| C17 | C18 | C19 | N20 | 109.7° | 80.0° |
| C17 | C18 | C19 | O31 | 70.0° | 100.0° |
| C18 | C17 | C13 | H2 | 145.1° | 88.6° |
| C18 | C17 | H5 | C16 | 114.1° | 124.8° |
| C18 | C17 | C16 | H22 | 30.8° | 25.4° |
| C18 | C17 | C16 | H23 | 151.5° | 96.9° |
| C22 | C21 | N20 | C29 | 121.1° | 120.0° |
| C22 | C21 | N20 | H7 | 120.1° | 120.0° |
| C22 | C21 | C29 | H7 | 123.0° | 120.0° |
| C21 | C22 | C23 | H8 | 120.8° | 119.9° |
| C21 | C22 | C23 | H9 | 120.8° | 120.0° |
| C21 | C22 | C23 | C24 | 58.8° | 175.0° |
| C22 | C21 | N20 | C19 | 114.0° | 154.9° |
| C21 | C22 | C23 | C27 | 177.0° | 70.2° |
| C22 | C21 | C29 | O30 | 76.0° | 55.0° |
| C21 | C22 | H8 | H9 | 117.4° | 120.0° |
| C22 | C21 | N20 | H26 | 66.1° | 25.0° |
| C21 | C22 | C23 | H27 | 59.8° | 52.5° |
| C22 | C21 | C29 | H31 | 43.7° | 175.0° |
| C22 | C21 | C29 | H32 | 164.2° | 65.0° |
| N20 | C21 | C29 | H7 | 119.3° | 120.0° |
| N20 | C21 | C22 | C23 | 73.7° | 64.9° |
| C21 | N20 | C19 | C18 | 177.7° | 180.0° |
| C21 | N20 | C19 | H26 | 180.0° | 179.9° |
| C21 | N20 | C19 | O31 | 2.0° | 0.0° |
| N20 | C21 | C29 | O30 | 166.2° | 65.0° |
| N20 | C21 | C22 | H8 | 47.1° | 55.0° |
| N20 | C21 | C22 | H9 | 165.5° | 175.0° |
| N20 | C21 | C29 | H31 | 74.1° | 55.0° |
| N20 | C21 | C29 | H32 | 46.5° | 175.0° |
| C29 | C21 | C22 | C23 | 170.2° | 175.0° |
| C29 | C21 | N20 | C19 | 124.9° | 85.0° |
| C21 | C29 | O30 | H31 | 119.7° | 120.0° |
| C21 | C29 | O30 | H32 | 119.8° | 120.0° |
| C29 | C21 | C22 | H8 | 69.0° | 65.0° |
| C29 | C21 | C22 | H9 | 49.3° | 55.0° |
| C29 | C21 | N20 | H26 | 55.0° | 95.0° |
| C21 | C29 | H31 | H32 | 120.7° | 120.0° |
| C21 | C29 | O30 | H33 | 180.0° | 180.0° |
| C22 | C23 | C24 | C27 | 120.4° | 118.7° |
| C22 | C23 | C24 | H27 | 119.4° | 122.5° |
| C22 | C23 | C24 | C25 | 152.3° | 93.9° |
| C22 | C23 | C27 | H27 | 121.5° | 122.6° |
| C22 | C23 | C27 | N26 | 139.8° | 102.5° |
| C22 | C23 | C27 | O28 | 44.4° | 77.6° |
| C23 | C22 | C21 | H7 | 47.0° | 55.0° |
| C23 | C22 | H8 | H9 | 117.4° | 120.0° |
| C22 | C23 | C24 | H10 | 32.9° | 24.2° |
| C22 | C23 | C24 | H11 | 88.3° | 148.0° |
| C23 | C24 | C25 | H10 | 119.4° | 118.1° |
| C23 | C24 | C25 | H11 | 119.4° | 118.2° |
| C24 | C23 | C27 | H27 | 117.4° | 118.7° |
| C23 | C24 | C25 | N26 | 27.8° | 25.4° |
| C24 | C23 | C27 | N26 | 18.7° | 16.2° |
| C24 | C23 | C27 | O28 | 165.5° | 163.7° |
| C24 | C23 | C22 | H8 | 179.6° | 65.0° |
| C24 | C23 | C22 | H9 | 62.0° | 55.0° |
| C23 | C24 | H10 | H11 | 121.8° | 123.8° |
| C23 | C24 | C25 | H28 | 147.1° | 93.6° |
| C23 | C24 | C25 | H29 | 91.5° | 144.4° |
| C25 | C24 | C23 | C27 | 31.9° | 24.8° |
| C24 | C25 | N26 | H28 | 119.3° | 119.0° |
| C24 | C25 | N26 | H29 | 119.3° | 119.0° |
| C24 | C25 | N26 | C27 | 18.0° | 17.1° |
| C25 | C24 | H10 | H11 | 121.8° | 123.8° |
| C25 | C24 | C23 | H27 | 88.3° | 143.6° |
| C24 | C25 | H28 | H29 | 122.1° | 122.0° |
| C24 | C25 | N26 | H30 | 162.0° | 163.0° |
| O01 | C02 | O03 | N11 | 179.5° | 180.0° |
| O01 | C02 | O03 | C04 | 39.4° | 0.0° |
| O01 | C02 | N11 | C12 | 162.1° | 180.0° |
| O01 | C02 | N11 | C18 | 20.8° | 0.1° |
| C02 | O03 | C04 | C05 | 178.7° | 180.0° |
| O03 | C02 | N11 | C12 | 18.4° | 0.0° |
| O03 | C02 | N11 | C18 | 158.8° | 180.0° |
| C02 | O03 | C04 | H12 | 61.2° | 60.0° |
| C02 | O03 | C04 | H13 | 58.6° | 60.0° |
| N11 | C02 | O03 | C04 | 141.1° | 180.0° |
| C02 | N11 | C12 | C18 | 177.5° | 180.0° |
| C02 | N11 | C18 | C19 | 72.5° | 58.4° |
| C02 | N11 | C12 | H18 | 81.3° | 37.3° |
| C02 | N11 | C12 | H19 | 40.2° | 84.8° |
| C02 | N11 | C18 | H25 | 52.2° | 62.5° |
| O03 | C04 | C05 | H12 | 120.1° | 119.9° |
| O03 | C04 | C05 | H13 | 120.1° | 120.0° |
| O03 | C04 | C05 | C06 | 150.6° | 90.0° |
| O03 | C04 | H12 | H13 | 119.6° | 120.0° |
| C04 | C05 | C06 | C07 | 179.4° | 180.0° |
| C04 | C05 | C10 | H1 | 0.9° | 0.3° |
| C05 | C04 | H12 | H13 | 119.6° | 120.0° |
| C04 | C05 | C06 | H14 | 0.6° | 0.1° |
| C05 | C06 | C07 | H14 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 1.8° | 0.0° |
| C06 | C05 | C10 | H1 | 178.4° | 179.7° |
| C06 | C05 | C04 | H12 | 30.5° | 150.0° |
| C06 | C05 | C04 | H13 | 89.3° | 30.0° |
| C05 | C06 | C07 | H15 | 178.2° | 180.0° |
| C06 | C07 | C08 | H15 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 1.4° | 0.0° |
| C06 | C07 | C08 | H16 | 178.6° | 180.0° |
| C07 | C08 | C09 | H16 | 180.0° | 180.0° |
| C08 | C07 | C06 | H14 | 178.2° | 180.0° |
| C07 | C08 | C09 | H17 | 178.8° | 180.0° |
| C08 | C09 | C10 | H1 | 178.7° | 179.7° |
| C09 | C08 | C07 | H15 | 178.6° | 180.0° |
| C12 | N11 | C18 | C19 | 109.9° | 121.6° |
| N11 | C12 | C13 | H2 | 154.3° | 86.5° |
| N11 | C12 | H18 | H19 | 122.0° | 122.1° |
| C12 | N11 | C18 | H25 | 125.5° | 117.5° |
| N11 | C18 | C19 | H25 | 125.0° | 120.9° |
| N11 | C18 | C19 | N20 | 136.3° | 161.8° |
| N11 | C18 | C19 | O31 | 44.0° | 18.3° |
| N11 | C18 | C17 | H5 | 113.9° | 143.3° |
| C18 | N11 | C12 | H18 | 101.2° | 142.7° |
| C18 | N11 | C12 | H19 | 137.4° | 95.2° |
| N11 | C18 | C17 | C16 | 129.4° | 88.9° |
| C18 | C19 | N20 | O31 | 179.7° | 180.0° |
| C19 | C18 | C17 | H5 | 2.4° | 23.8° |
| C18 | C19 | N20 | H26 | 2.3° | 0.1° |
| C19 | C18 | C17 | C16 | 114.3° | 151.6° |
| C19 | N20 | C21 | H7 | 6.1° | 35.0° |
| N20 | C19 | C18 | H25 | 11.3° | 40.9° |
| O31 | C19 | C18 | H25 | 169.0° | 139.1° |
| O31 | C19 | N20 | H26 | 178.0° | 180.0° |
| C23 | C27 | N26 | C25 | 2.9° | 0.4° |
| C23 | C27 | N26 | O28 | 175.9° | 179.9° |
| C27 | C23 | C22 | H8 | 62.1° | 49.7° |
| C27 | C23 | C22 | H9 | 56.2° | 169.8° |
| C27 | C23 | C24 | H10 | 87.5° | 142.9° |
| C27 | C23 | C24 | H11 | 151.3° | 93.3° |
| C23 | C27 | N26 | H30 | 177.1° | 179.6° |
| C25 | N26 | C27 | H30 | 180.0° | 179.9° |
| C25 | N26 | C27 | O28 | 178.9° | 179.6° |
| N26 | C25 | C24 | H10 | 91.5° | 143.5° |
| N26 | C25 | C24 | H11 | 147.2° | 92.7° |
| N26 | C25 | H28 | H29 | 122.1° | 121.9° |
| N26 | C27 | C23 | H27 | 98.7° | 134.9° |
| C27 | N26 | C25 | H28 | 137.3° | 102.0° |
| C27 | N26 | C25 | H29 | 101.3° | 136.0° |
| O28 | C27 | C23 | H27 | 77.1° | 45.0° |
| O28 | C27 | N26 | H30 | 1.1° | 0.3° |
| O30 | C29 | C21 | H7 | 47.0° | 175.0° |
| O30 | C29 | H31 | H32 | 120.7° | 120.0° |
| H1 | C10 | C09 | H17 | 1.3° | 0.2° |
| H2 | C13 | C17 | H5 | 20.9° | 34.5° |
| H2 | C13 | C12 | H18 | 35.0° | 32.4° |
| H2 | C13 | C12 | H19 | 86.4° | 154.5° |
| H2 | C13 | C14 | H20 | 123.3° | 96.3° |
| H2 | C13 | C14 | H21 | 2.3° | 25.0° |
| H2 | C13 | C17 | C16 | 102.4° | 158.5° |
| H3 | C15 | C14 | H20 | 9.1° | 1.6° |
| H3 | C15 | C14 | H21 | 130.1° | 119.7° |
| H3 | C15 | C16 | H22 | 18.5° | 23.6° |
| H3 | C15 | C16 | H23 | 139.2° | 98.7° |
| H3 | C15 | C16 | C17 | 101.1° | 142.5° |
| H4 | C15 | C14 | H20 | 111.6° | 122.9° |
| H4 | C15 | C14 | H21 | 9.4° | 1.7° |
| H4 | C15 | C16 | H22 | 102.2° | 145.0° |
| H4 | C15 | C16 | H23 | 18.6° | 22.7° |
| H4 | C15 | C16 | C17 | 138.2° | 96.1° |
| H5 | C17 | C16 | H22 | 86.8° | 152.8° |
| H5 | C17 | C16 | H23 | 33.9° | 30.5° |
| H5 | C17 | C18 | H25 | 124.6° | 97.2° |
| H7 | C21 | C22 | H8 | 167.8° | 175.0° |
| H7 | C21 | C22 | H9 | 73.8° | 65.0° |
| H7 | C21 | N20 | H26 | 173.9° | 145.0° |
| H7 | C21 | C29 | H31 | 166.7° | 65.0° |
| H7 | C21 | C29 | H32 | 72.8° | 55.0° |
| H8 | C22 | C23 | H27 | 61.0° | 172.4° |
| H9 | C22 | C23 | H27 | 179.4° | 67.5° |
| H10 | C24 | C23 | H27 | 152.3° | 98.3° |
| H10 | C24 | C25 | H28 | 27.8° | 24.5° |
| H10 | C24 | C25 | H29 | 149.2° | 97.5° |
| H11 | C24 | C23 | H27 | 31.1° | 25.5° |
| H11 | C24 | C25 | H28 | 93.5° | 148.3° |
| H11 | C24 | C25 | H29 | 27.9° | 26.2° |
| H14 | C06 | C07 | H15 | 1.8° | 0.1° |
| H15 | C07 | C08 | H16 | 1.4° | 0.0° |
| H16 | C08 | C09 | H17 | 1.2° | 0.0° |
| H22 | C16 | H23 | C17 | 121.1° | 122.3° |
| H25 | C18 | C17 | C16 | 7.9° | 30.6° |
| H28 | C25 | N26 | H30 | 42.7° | 78.0° |
| H29 | C25 | N26 | H30 | 78.7° | 44.0° |
| H31 | C29 | O30 | H33 | 60.3° | 60.0° |
| H32 | C29 | O30 | H33 | 60.2° | 60.0° |
