JQT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O45 | C42 | doub | 1.21Å | 1.25Å | |
| N01 | C02 | trip | 1.14Å | 1.15Å | |
| O43 | C39 | sing | 1.43Å | 1.47Å | |
| C40 | C39 | sing | 1.55Å | 1.53Å | |
| C40 | C41 | sing | 1.55Å | 1.29Å | |
| C02 | C03 | sing | 1.43Å | 1.60Å | |
| C42 | O44 | sing | 1.34Å | 1.17Å | |
| C42 | C41 | sing | 1.51Å | 1.58Å | |
| C39 | C38 | sing | 1.54Å | 1.35Å | |
| C41 | N37 | sing | 1.48Å | 1.47Å | |
| C03 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | C08 | sing | 1.40Å | 1.33Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.37Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | N37 | sing | 1.47Å | 1.46Å | |
| N37 | C36 | sing | 1.47Å | 1.04Å | |
| C05 | C06 | doub | 1.38Å | 1.34Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.35Å | Aromatic |
| C07 | C09 | sing | 1.51Å | 1.49Å | |
| C36 | C12 | sing | 1.51Å | 1.56Å | |
| O10 | C09 | sing | 1.43Å | 1.40Å | |
| O10 | C11 | sing | 1.36Å | 1.38Å | |
| C12 | C11 | doub | 1.39Å | 1.44Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C35 | C20 | sing | 1.51Å | 1.50Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.33Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.43Å | Aromatic |
| C14 | CL | sing | 1.74Å | 1.74Å | |
| C15 | O17 | sing | 1.36Å | 1.35Å | |
| C18 | O17 | sing | 1.43Å | 1.38Å | |
| C18 | C19 | sing | 1.51Å | 1.55Å | |
| O31 | C28 | sing | 1.36Å | 1.33Å | |
| O31 | C32 | sing | 1.43Å | 1.34Å | |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C21 | sing | 1.48Å | 1.40Å | |
| C25 | C30 | doub | 1.39Å | 1.36Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.36Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.34Å | Aromatic |
| C32 | C33 | sing | 1.53Å | 1.48Å | |
| C29 | C30 | sing | 1.38Å | 1.35Å | Aromatic |
| C29 | O34 | sing | 1.36Å | 1.39Å | |
| C24 | C23 | doub | 1.38Å | 1.36Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.35Å | Aromatic |
| C33 | O34 | sing | 1.43Å | 1.31Å | |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C30 | H16 | sing | 1.08Å | 1.08Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å | |
| O43 | H33 | sing | 0.97Å | 0.95Å | |
| O44 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O45 | C42 | O44 | 114.8° | 119.9° |
| O45 | C42 | C41 | 121.6° | 120.0° |
| N01 | C02 | C03 | 175.6° | 179.9° |
| O43 | C39 | C40 | 104.2° | 110.8° |
| O43 | C39 | C38 | 108.8° | 110.7° |
| O43 | C39 | H28 | 112.0° | 110.6° |
| C39 | O43 | H33 | 109.5° | 114.0° |
| C39 | C40 | C41 | 92.3° | 101.6° |
| C40 | C39 | C38 | 105.7° | 103.1° |
| C40 | C39 | H28 | 111.2° | 110.7° |
| C39 | C40 | H29 | 113.6° | 111.0° |
| C39 | C40 | H30 | 113.6° | 111.0° |
| C40 | C41 | C42 | 107.9° | 110.4° |
| C40 | C41 | N37 | 99.6° | 104.8° |
| C41 | C40 | H29 | 113.6° | 111.0° |
| C41 | C40 | H30 | 113.6° | 111.0° |
| C40 | C41 | H31 | 109.2° | 110.4° |
| C02 | C03 | C04 | 119.0° | 120.2° |
| C02 | C03 | C08 | 126.7° | 120.1° |
| O44 | C42 | C41 | 122.8° | 120.0° |
| C42 | O44 | H34 | 109.5° | 117.0° |
| C42 | C41 | N37 | 127.1° | 110.4° |
| C42 | C41 | H31 | 105.5° | 110.5° |
| C39 | C38 | N37 | 103.6° | 107.2° |
| C39 | C38 | H26 | 110.9° | 109.9° |
| C39 | C38 | H27 | 110.9° | 110.1° |
| C38 | C39 | H28 | 114.2° | 110.7° |
| C41 | N37 | C38 | 90.4° | 108.6° |
| C41 | N37 | C36 | 123.0° | 111.0° |
| N37 | C41 | H31 | 106.7° | 110.3° |
| C04 | C03 | C08 | 114.3° | 119.7° |
| C03 | C04 | C05 | 122.7° | 119.9° |
| C03 | C04 | H1 | 118.7° | 120.0° |
| C03 | C08 | C07 | 123.0° | 119.8° |
| C03 | C08 | H4 | 118.5° | 120.1° |
| C04 | C05 | C06 | 122.3° | 120.1° |
| C05 | C04 | H1 | 118.7° | 120.1° |
| C04 | C05 | H2 | 118.9° | 119.9° |
| C08 | C07 | C06 | 121.8° | 120.1° |
| C08 | C07 | C09 | 121.6° | 119.9° |
| C07 | C08 | H4 | 118.5° | 120.0° |
| C38 | N37 | C36 | 119.6° | 111.0° |
| N37 | C38 | H26 | 110.9° | 109.9° |
| N37 | C38 | H27 | 110.9° | 109.9° |
| N37 | C36 | C12 | 99.0° | 109.5° |
| N37 | C36 | H24 | 112.0° | 109.4° |
| N37 | C36 | H25 | 112.1° | 109.4° |
| C05 | C06 | C07 | 115.9° | 120.3° |
| C06 | C05 | H2 | 118.9° | 119.9° |
| C05 | C06 | H3 | 122.1° | 119.8° |
| C06 | C07 | C09 | 116.6° | 120.0° |
| C07 | C06 | H3 | 122.1° | 119.8° |
| C07 | C09 | O10 | 105.6° | 109.5° |
| C07 | C09 | H5 | 110.4° | 109.5° |
| C07 | C09 | H6 | 110.4° | 109.4° |
| C36 | C12 | C11 | 123.1° | 120.0° |
| C36 | C12 | C13 | 118.6° | 120.0° |
| C12 | C36 | H24 | 112.1° | 109.5° |
| C12 | C36 | H25 | 112.0° | 109.5° |
| C09 | O10 | C11 | 118.6° | 117.0° |
| O10 | C09 | H5 | 110.4° | 109.5° |
| O10 | C09 | H6 | 110.4° | 109.5° |
| O10 | C11 | C12 | 117.9° | 120.0° |
| O10 | C11 | C16 | 121.6° | 120.0° |
| C11 | C12 | C13 | 118.3° | 120.0° |
| C12 | C11 | C16 | 120.5° | 120.0° |
| C12 | C13 | C14 | 123.5° | 120.1° |
| C12 | C13 | H7 | 118.3° | 120.0° |
| C11 | C16 | C15 | 120.2° | 119.9° |
| C11 | C16 | H8 | 119.9° | 120.0° |
| C35 | C20 | C19 | 122.4° | 120.0° |
| C35 | C20 | C21 | 117.4° | 120.1° |
| C20 | C35 | H21 | 109.5° | 109.4° |
| C20 | C35 | H22 | 109.5° | 109.4° |
| C20 | C35 | H23 | 109.5° | 109.5° |
| C13 | C14 | C15 | 118.1° | 120.1° |
| C13 | C14 | CL | 116.2° | 120.0° |
| C14 | C13 | H7 | 118.3° | 120.0° |
| C16 | C15 | C14 | 119.4° | 120.0° |
| C16 | C15 | O17 | 119.2° | 120.0° |
| C15 | C16 | H8 | 119.9° | 120.1° |
| C26 | C27 | C28 | 118.6° | 120.2° |
| C27 | C26 | C25 | 120.2° | 119.9° |
| C27 | C26 | H14 | 119.9° | 120.0° |
| C26 | C27 | H15 | 120.7° | 119.9° |
| C27 | C28 | O31 | 122.2° | 119.3° |
| C27 | C28 | C29 | 122.8° | 120.0° |
| C28 | C27 | H15 | 120.7° | 119.9° |
| C26 | C25 | C21 | 124.1° | 120.0° |
| C26 | C25 | C30 | 118.9° | 119.9° |
| C25 | C26 | H14 | 119.9° | 120.0° |
| C15 | C14 | CL | 125.7° | 120.0° |
| C14 | C15 | O17 | 121.4° | 120.0° |
| C15 | O17 | C18 | 116.2° | 117.0° |
| O17 | C18 | C19 | 108.1° | 109.5° |
| O17 | C18 | H9 | 109.8° | 109.5° |
| O17 | C18 | H10 | 109.8° | 109.5° |
| C18 | C19 | C20 | 123.9° | 120.0° |
| C18 | C19 | C24 | 116.9° | 119.9° |
| C19 | C18 | H9 | 109.8° | 109.5° |
| C19 | C18 | H10 | 109.8° | 109.5° |
| C28 | O31 | C32 | 124.6° | 116.8° |
| O31 | C28 | C29 | 115.0° | 120.8° |
| O31 | C32 | C33 | 112.4° | 108.3° |
| O31 | C32 | H17 | 108.7° | 109.6° |
| O31 | C32 | H18 | 108.7° | 109.8° |
| C28 | C29 | C30 | 118.4° | 120.0° |
| C28 | C29 | O34 | 118.8° | 120.7° |
| C19 | C20 | C21 | 120.2° | 119.9° |
| C20 | C19 | C24 | 119.1° | 120.1° |
| C20 | C21 | C25 | 127.4° | 120.1° |
| C20 | C21 | C22 | 117.2° | 119.7° |
| C21 | C25 | C30 | 117.0° | 120.1° |
| C25 | C21 | C22 | 115.3° | 120.1° |
| C25 | C30 | C29 | 121.1° | 119.9° |
| C25 | C30 | H16 | 119.5° | 120.0° |
| C19 | C24 | C23 | 120.8° | 120.3° |
| C19 | C24 | H13 | 119.6° | 119.8° |
| C21 | C22 | C23 | 124.7° | 119.9° |
| C21 | C22 | H11 | 117.7° | 120.1° |
| C32 | C33 | O34 | 109.8° | 108.3° |
| C33 | C32 | H17 | 108.7° | 109.7° |
| C33 | C32 | H18 | 108.7° | 109.7° |
| C32 | C33 | H19 | 109.4° | 109.7° |
| C32 | C33 | H20 | 109.4° | 109.7° |
| C30 | C29 | O34 | 122.8° | 119.3° |
| C29 | C30 | H16 | 119.5° | 120.0° |
| C29 | O34 | C33 | 120.7° | 116.7° |
| C24 | C23 | C22 | 118.0° | 120.1° |
| C24 | C23 | H12 | 121.0° | 120.0° |
| C23 | C24 | H13 | 119.6° | 119.9° |
| C23 | C22 | H11 | 117.6° | 120.0° |
| C22 | C23 | H12 | 121.0° | 119.9° |
| O34 | C33 | H19 | 109.4° | 109.7° |
| O34 | C33 | H20 | 109.4° | 109.7° |
| H5 | C09 | H6 | 109.5° | 109.4° |
| H9 | C18 | H10 | 109.5° | 109.4° |
| H17 | C32 | H18 | 109.5° | 109.7° |
| H19 | C33 | H20 | 109.5° | 109.7° |
| H21 | C35 | H22 | 109.5° | 109.5° |
| H21 | C35 | H23 | 109.5° | 109.5° |
| H22 | C35 | H23 | 109.5° | 109.5° |
| H24 | C36 | H25 | 109.4° | 109.5° |
| H26 | C38 | H27 | 109.5° | 109.9° |
| H29 | C40 | H30 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O45 | C42 | C41 | C40 | 0.6° | 118.5° |
| O45 | C42 | O44 | C41 | 170.5° | 180.0° |
| O45 | C42 | C41 | N37 | 118.2° | 3.1° |
| O45 | C42 | C41 | H31 | 116.0° | 119.2° |
| O45 | C42 | O44 | H34 | 0.0° | 0.0° |
| N01 | C02 | C03 | C04 | 24.6° | 19.1° |
| N01 | C02 | C03 | C08 | 155.5° | 161.1° |
| O43 | C39 | C40 | C38 | 114.6° | 118.5° |
| O43 | C39 | C40 | H28 | 120.9° | 123.1° |
| O43 | C39 | C40 | C41 | 80.7° | 82.8° |
| O43 | C39 | C38 | H28 | 126.0° | 123.0° |
| O43 | C39 | C38 | N37 | 119.1° | 96.3° |
| O43 | C39 | C38 | H26 | 121.9° | 144.3° |
| O43 | C39 | C38 | H27 | 0.0° | 23.2° |
| O43 | C39 | C40 | H29 | 36.4° | 35.2° |
| O43 | C39 | C40 | H30 | 162.3° | 159.1° |
| C39 | C40 | C41 | H29 | 117.0° | 118.1° |
| C39 | C40 | C41 | H30 | 117.0° | 118.1° |
| C39 | C40 | C41 | C42 | 164.1° | 155.9° |
| C40 | C39 | C38 | H28 | 122.6° | 118.4° |
| C39 | C40 | C41 | N37 | 61.7° | 37.0° |
| C40 | C39 | C38 | N37 | 7.6° | 22.3° |
| C40 | C39 | C38 | H26 | 126.7° | 97.1° |
| C40 | C39 | C38 | H27 | 111.4° | 141.8° |
| C39 | C40 | H29 | H30 | 128.1° | 123.9° |
| C39 | C40 | C41 | H31 | 49.9° | 81.7° |
| C40 | C39 | O43 | H33 | 180.0° | 175.2° |
| C40 | C41 | C42 | O44 | 170.5° | 61.4° |
| C40 | C41 | C42 | N37 | 117.6° | 115.4° |
| C40 | C41 | C42 | H31 | 116.6° | 122.3° |
| C41 | C40 | C39 | C38 | 34.0° | 35.6° |
| C40 | C41 | N37 | H31 | 113.5° | 118.8° |
| C40 | C41 | N37 | C38 | 68.1° | 24.1° |
| C40 | C41 | N37 | C36 | 165.5° | 146.4° |
| C41 | C40 | C39 | H28 | 158.4° | 154.1° |
| C41 | C40 | H29 | H30 | 128.1° | 123.8° |
| C02 | C03 | C04 | C08 | 179.8° | 179.7° |
| C02 | C03 | C04 | C05 | 178.8° | 180.0° |
| C02 | C03 | C08 | C07 | 180.0° | 179.7° |
| C02 | C03 | C04 | H1 | 1.2° | 0.0° |
| C02 | C03 | C08 | H4 | 0.0° | 0.0° |
| O44 | C42 | C41 | N37 | 71.9° | 176.8° |
| O44 | C42 | C41 | H31 | 53.9° | 60.9° |
| C42 | C41 | N37 | H31 | 125.3° | 122.4° |
| C42 | C41 | N37 | C38 | 170.7° | 142.9° |
| C42 | C41 | N37 | C36 | 44.3° | 94.8° |
| C42 | C41 | C40 | H29 | 47.1° | 86.0° |
| C42 | C41 | C40 | H30 | 78.9° | 37.8° |
| C41 | C42 | O44 | H34 | 170.5° | 180.0° |
| C39 | C38 | N37 | C41 | 40.3° | 1.0° |
| C39 | C38 | N37 | H26 | 119.0° | 119.4° |
| C39 | C38 | N37 | H27 | 119.1° | 119.6° |
| C39 | C38 | N37 | C36 | 169.4° | 123.3° |
| C39 | C38 | H26 | H27 | 122.7° | 121.3° |
| C38 | C39 | C40 | H29 | 151.0° | 153.7° |
| C38 | C39 | C40 | H30 | 83.0° | 82.4° |
| C38 | C39 | O43 | H33 | 67.6° | 61.4° |
| C41 | N37 | C38 | C36 | 129.0° | 122.3° |
| C41 | N37 | C36 | C12 | 132.3° | 165.2° |
| C41 | N37 | C36 | H24 | 109.4° | 45.1° |
| C41 | N37 | C36 | H25 | 14.0° | 74.8° |
| C41 | N37 | C38 | H26 | 159.4° | 120.4° |
| C41 | N37 | C38 | H27 | 78.8° | 118.6° |
| N37 | C41 | C40 | H29 | 178.7° | 155.2° |
| N37 | C41 | C40 | H30 | 55.3° | 81.1° |
| C03 | C04 | C05 | H1 | 180.0° | 180.0° |
| C04 | C03 | C08 | C07 | 0.2° | 0.6° |
| C03 | C04 | C05 | C06 | 1.0° | 0.0° |
| C03 | C04 | C05 | H2 | 179.0° | 180.0° |
| C04 | C03 | C08 | H4 | 179.8° | 179.8° |
| C08 | C03 | C04 | C05 | 1.4° | 0.3° |
| C03 | C08 | C07 | H4 | 180.0° | 179.6° |
| C03 | C08 | C07 | C06 | 1.5° | 0.7° |
| C03 | C08 | C07 | C09 | 179.5° | 179.7° |
| C08 | C03 | C04 | H1 | 178.6° | 179.8° |
| C04 | C05 | C06 | H2 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.7° | 0.1° |
| C04 | C05 | C06 | H3 | 179.3° | 179.9° |
| C08 | C07 | C06 | C05 | 1.9° | 0.4° |
| C08 | C07 | C06 | C09 | 178.1° | 179.6° |
| C08 | C07 | C09 | O10 | 136.0° | 89.7° |
| C08 | C07 | C06 | H3 | 178.1° | 179.7° |
| C08 | C07 | C09 | H5 | 104.6° | 30.4° |
| C08 | C07 | C09 | H6 | 16.6° | 150.3° |
| C38 | N37 | C36 | C12 | 115.5° | 73.9° |
| C38 | N37 | C36 | H24 | 2.8° | 166.0° |
| C38 | N37 | C36 | H25 | 126.2° | 46.1° |
| N37 | C38 | H26 | H27 | 122.7° | 121.0° |
| N37 | C38 | C39 | H28 | 114.9° | 140.7° |
| C38 | N37 | C41 | H31 | 45.4° | 94.7° |
| N37 | C36 | C12 | H24 | 118.2° | 120.0° |
| N37 | C36 | C12 | H25 | 118.3° | 120.0° |
| N37 | C36 | C12 | C11 | 98.7° | 77.7° |
| N37 | C36 | C12 | C13 | 78.8° | 102.2° |
| N37 | C36 | H24 | H25 | 124.9° | 119.9° |
| C36 | N37 | C38 | H26 | 71.6° | 117.3° |
| C36 | N37 | C38 | H27 | 50.3° | 3.7° |
| C36 | N37 | C41 | H31 | 81.0° | 27.6° |
| C05 | C06 | C07 | H3 | 180.0° | 179.9° |
| C05 | C06 | C07 | C09 | 179.9° | 180.0° |
| C06 | C05 | C04 | H1 | 179.0° | 180.0° |
| C06 | C07 | C09 | O10 | 42.1° | 90.0° |
| C07 | C06 | C05 | H2 | 179.3° | 180.0° |
| C06 | C07 | C08 | H4 | 178.5° | 179.7° |
| C06 | C07 | C09 | H5 | 77.3° | 150.0° |
| C06 | C07 | C09 | H6 | 161.4° | 30.1° |
| C07 | C09 | O10 | H5 | 119.4° | 120.0° |
| C07 | C09 | O10 | H6 | 119.4° | 120.0° |
| C07 | C09 | O10 | C11 | 174.4° | 180.0° |
| C09 | C07 | C06 | H3 | 0.1° | 0.1° |
| C09 | C07 | C08 | H4 | 0.5° | 0.1° |
| C07 | C09 | H5 | H6 | 121.8° | 119.9° |
| C36 | C12 | C11 | O10 | 1.8° | 0.3° |
| C36 | C12 | C11 | C13 | 177.5° | 179.9° |
| C36 | C12 | C11 | C16 | 177.5° | 180.0° |
| C36 | C12 | C13 | C14 | 177.9° | 180.0° |
| C36 | C12 | C13 | H7 | 2.1° | 0.0° |
| C12 | C36 | H24 | H25 | 124.9° | 120.0° |
| C09 | O10 | C11 | C12 | 173.8° | 179.7° |
| C09 | O10 | C11 | C16 | 6.9° | 0.0° |
| O10 | C09 | H5 | H6 | 121.8° | 120.0° |
| O10 | C11 | C12 | C16 | 179.3° | 179.7° |
| O10 | C11 | C12 | C13 | 179.3° | 179.8° |
| O10 | C11 | C16 | C15 | 179.6° | 179.7° |
| C11 | O10 | C09 | H5 | 55.0° | 60.0° |
| C11 | O10 | C09 | H6 | 66.2° | 60.0° |
| O10 | C11 | C16 | H8 | 0.4° | 0.3° |
| C11 | C12 | C13 | C14 | 0.3° | 0.1° |
| C12 | C11 | C16 | C15 | 0.3° | 0.1° |
| C11 | C12 | C13 | H7 | 179.7° | 180.0° |
| C12 | C11 | C16 | H8 | 179.7° | 180.0° |
| C11 | C12 | C36 | H24 | 143.1° | 42.3° |
| C11 | C12 | C36 | H25 | 19.6° | 162.3° |
| C13 | C12 | C11 | C16 | 0.0° | 0.1° |
| C12 | C13 | C14 | H7 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C12 | C13 | C14 | CL | 178.4° | 180.0° |
| C13 | C12 | C36 | H24 | 39.4° | 137.8° |
| C13 | C12 | C36 | H25 | 162.9° | 17.8° |
| C11 | C16 | C15 | H8 | 180.0° | 180.0° |
| C11 | C16 | C15 | C14 | 0.4° | 0.1° |
| C11 | C16 | C15 | O17 | 179.5° | 180.0° |
| C35 | C20 | C19 | C18 | 2.8° | 0.0° |
| C35 | C20 | C19 | C21 | 179.5° | 179.9° |
| C35 | C20 | C21 | C25 | 1.6° | 0.0° |
| C35 | C20 | C19 | C24 | 179.6° | 179.8° |
| C35 | C20 | C21 | C22 | 179.4° | 179.9° |
| C20 | C35 | H21 | H22 | 120.0° | 119.9° |
| C20 | C35 | H21 | H23 | 120.0° | 120.0° |
| C20 | C35 | H22 | H23 | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | C15 | CL | 178.5° | 179.9° |
| C13 | C14 | C15 | O17 | 179.7° | 180.0° |
| C16 | C15 | C14 | O17 | 179.8° | 180.0° |
| C16 | C15 | C14 | CL | 178.6° | 180.0° |
| C16 | C15 | O17 | C18 | 26.4° | 0.0° |
| C26 | C27 | C28 | H15 | 180.0° | 179.8° |
| C27 | C26 | C25 | H14 | 180.0° | 179.9° |
| C26 | C27 | C28 | O31 | 178.8° | 179.6° |
| C26 | C27 | C28 | C29 | 0.3° | 0.3° |
| C27 | C26 | C25 | C21 | 179.9° | 180.0° |
| C27 | C26 | C25 | C30 | 0.3° | 0.3° |
| C28 | C27 | C26 | C25 | 1.1° | 0.1° |
| C27 | C28 | O31 | C29 | 179.1° | 179.9° |
| C27 | C28 | O31 | C32 | 168.6° | 162.8° |
| C27 | C28 | C29 | C30 | 1.4° | 0.0° |
| C27 | C28 | C29 | O34 | 178.0° | 179.6° |
| C28 | C27 | C26 | H14 | 178.9° | 180.0° |
| C26 | C25 | C21 | C20 | 59.3° | 56.3° |
| C26 | C25 | C21 | C30 | 179.6° | 179.7° |
| C26 | C25 | C21 | C22 | 122.9° | 123.7° |
| C26 | C25 | C30 | C29 | 1.4° | 0.5° |
| C25 | C26 | C27 | H15 | 178.9° | 179.9° |
| C26 | C25 | C30 | H16 | 178.6° | 179.7° |
| C14 | C15 | O17 | C18 | 153.8° | 180.0° |
| C15 | C14 | C13 | H7 | 179.8° | 180.0° |
| C14 | C15 | C16 | H8 | 179.6° | 180.0° |
| CL | C14 | C15 | O17 | 1.2° | 0.0° |
| CL | C14 | C13 | H7 | 1.6° | 0.1° |
| C15 | O17 | C18 | C19 | 171.4° | 180.0° |
| O17 | C15 | C16 | H8 | 0.5° | 0.0° |
| C15 | O17 | C18 | H9 | 68.8° | 60.0° |
| C15 | O17 | C18 | H10 | 51.7° | 60.0° |
| O17 | C18 | C19 | H9 | 119.8° | 120.0° |
| O17 | C18 | C19 | H10 | 119.8° | 120.1° |
| O17 | C18 | C19 | C20 | 161.7° | 179.7° |
| O17 | C18 | C19 | C24 | 15.2° | 0.1° |
| O17 | C18 | H9 | H10 | 120.6° | 120.0° |
| C18 | C19 | C20 | C24 | 176.8° | 179.8° |
| C18 | C19 | C20 | C21 | 176.8° | 180.0° |
| C18 | C19 | C24 | C23 | 177.7° | 179.7° |
| C19 | C18 | H9 | H10 | 120.6° | 120.0° |
| C18 | C19 | C24 | H13 | 2.3° | 0.1° |
| C28 | O31 | C32 | C33 | 34.1° | 46.2° |
| O31 | C28 | C29 | C30 | 179.5° | 179.8° |
| O31 | C28 | C29 | O34 | 1.1° | 0.6° |
| O31 | C28 | C27 | H15 | 1.2° | 0.2° |
| C28 | O31 | C32 | H17 | 154.5° | 73.5° |
| C28 | O31 | C32 | H18 | 86.4° | 166.0° |
| C32 | O31 | C28 | C29 | 10.5° | 17.3° |
| O31 | C32 | C33 | H17 | 120.4° | 119.6° |
| O31 | C32 | C33 | H18 | 120.4° | 119.8° |
| O31 | C32 | C33 | O34 | 48.2° | 59.7° |
| O31 | C32 | H17 | H18 | 118.6° | 120.6° |
| O31 | C32 | C33 | H19 | 71.9° | 60.1° |
| O31 | C32 | C33 | H20 | 168.2° | 179.4° |
| C28 | C29 | C30 | C25 | 2.2° | 0.3° |
| C28 | C29 | C30 | O34 | 179.4° | 179.6° |
| C28 | C29 | O34 | C33 | 20.6° | 17.4° |
| C29 | C28 | C27 | H15 | 179.7° | 179.9° |
| C28 | C29 | C30 | H16 | 177.8° | 179.8° |
| C19 | C20 | C21 | C25 | 178.8° | 180.0° |
| C19 | C20 | C21 | C22 | 1.1° | 0.0° |
| C20 | C19 | C24 | C23 | 0.6° | 0.5° |
| C20 | C19 | C18 | H9 | 78.5° | 59.7° |
| C20 | C19 | C18 | H10 | 41.9° | 60.2° |
| C20 | C19 | C24 | H13 | 179.4° | 179.7° |
| C19 | C20 | C35 | H21 | 89.7° | 94.9° |
| C19 | C20 | C35 | H22 | 150.3° | 145.2° |
| C19 | C20 | C35 | H23 | 30.3° | 25.2° |
| C20 | C21 | C25 | C22 | 177.8° | 180.0° |
| C20 | C21 | C25 | C30 | 121.1° | 123.9° |
| C21 | C20 | C19 | C24 | 0.1° | 0.2° |
| C20 | C21 | C22 | C23 | 1.5° | 0.0° |
| C20 | C21 | C22 | H11 | 178.5° | 180.0° |
| C21 | C20 | C35 | H21 | 89.8° | 85.2° |
| C21 | C20 | C35 | H22 | 30.2° | 34.8° |
| C21 | C20 | C35 | H23 | 150.2° | 154.8° |
| C21 | C25 | C30 | C29 | 178.3° | 179.8° |
| C25 | C21 | C22 | C23 | 179.5° | 180.0° |
| C25 | C21 | C22 | H11 | 0.5° | 0.0° |
| C21 | C25 | C26 | H14 | 0.1° | 0.1° |
| C21 | C25 | C30 | H16 | 1.7° | 0.1° |
| C30 | C25 | C21 | C22 | 56.7° | 56.0° |
| C25 | C30 | C29 | H16 | 180.0° | 179.8° |
| C25 | C30 | C29 | O34 | 177.2° | 180.0° |
| C30 | C25 | C26 | H14 | 179.7° | 179.7° |
| C19 | C24 | C23 | H13 | 180.0° | 179.8° |
| C19 | C24 | C23 | C22 | 0.2° | 0.4° |
| C24 | C19 | C18 | H9 | 104.6° | 120.1° |
| C24 | C19 | C18 | H10 | 135.0° | 120.0° |
| C19 | C24 | C23 | H12 | 179.8° | 179.8° |
| C21 | C22 | C23 | C24 | 0.9° | 0.2° |
| C21 | C22 | C23 | H11 | 180.0° | 180.0° |
| C21 | C22 | C23 | H12 | 179.1° | 180.0° |
| C32 | C33 | O34 | C29 | 42.8° | 46.3° |
| C32 | C33 | O34 | H19 | 120.1° | 119.7° |
| C32 | C33 | O34 | H20 | 120.1° | 119.7° |
| C33 | C32 | H17 | H18 | 118.7° | 120.6° |
| C32 | C33 | H19 | H20 | 119.8° | 120.6° |
| C30 | C29 | O34 | C33 | 160.0° | 163.0° |
| O34 | C29 | C30 | H16 | 2.8° | 0.2° |
| C29 | O34 | C33 | H19 | 77.2° | 73.4° |
| C29 | O34 | C33 | H20 | 162.9° | 166.0° |
| C24 | C23 | C22 | H12 | 180.0° | 179.8° |
| C24 | C23 | C22 | H11 | 179.1° | 179.8° |
| C22 | C23 | C24 | H13 | 179.8° | 179.7° |
| O34 | C33 | C32 | H17 | 168.6° | 59.9° |
| O34 | C33 | C32 | H18 | 72.2° | 179.5° |
| O34 | C33 | H19 | H20 | 119.8° | 120.6° |
| H1 | C04 | C05 | H2 | 1.0° | 0.1° |
| H2 | C05 | C06 | H3 | 0.7° | 0.1° |
| H11 | C22 | C23 | H12 | 0.9° | 0.0° |
| H12 | C23 | C24 | H13 | 0.2° | 0.0° |
| H14 | C26 | C27 | H15 | 1.1° | 0.1° |
| H17 | C32 | C33 | H19 | 48.5° | 179.7° |
| H17 | C32 | C33 | H20 | 71.4° | 59.8° |
| H18 | C32 | C33 | H19 | 167.7° | 59.8° |
| H18 | C32 | C33 | H20 | 47.8° | 60.8° |
| H21 | C35 | H22 | H23 | 120.0° | 120.1° |
| H26 | C38 | C39 | H28 | 4.1° | 21.4° |
| H27 | C38 | C39 | H28 | 126.0° | 99.8° |
| H28 | C39 | C40 | H29 | 84.5° | 87.8° |
| H28 | C39 | C40 | H30 | 41.4° | 36.0° |
| H28 | C39 | O43 | H33 | 59.7° | 61.6° |
| H29 | C40 | C41 | H31 | 67.1° | 36.4° |
| H30 | C40 | C41 | H31 | 166.9° | 160.2° |
