7I9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F47 | C45 | sing | 1.40Å | 1.36Å | |
| C24 | C45 | sing | 1.53Å | 1.54Å | |
| C24 | N22 | sing | 1.47Å | 1.46Å | |
| C45 | F46 | sing | 1.40Å | 1.36Å | |
| C45 | F48 | sing | 1.40Å | 1.36Å | |
| N22 | S42 | sing | 1.66Å | 1.71Å | |
| S42 | O43 | doub | 1.42Å | 1.47Å | |
| S42 | O44 | doub | 1.42Å | 1.46Å | |
| S42 | C03 | sing | 1.81Å | 2.12Å | |
| C04 | C03 | sing | 1.55Å | 1.23Å | |
| C04 | C06 | sing | 1.56Å | 1.32Å | |
| C03 | C02 | sing | 1.56Å | 1.39Å | |
| C06 | C05 | sing | 1.53Å | 1.48Å | |
| C06 | O07 | sing | 1.47Å | 1.54Å | |
| C14 | C13 | doub | 1.38Å | 1.54Å | Aromatic |
| C14 | C09 | sing | 1.40Å | 1.53Å | Aromatic |
| C02 | O07 | sing | 1.47Å | 1.49Å | |
| C02 | C01 | sing | 1.53Å | 1.47Å | |
| C05 | C01 | doub | 1.36Å | 1.75Å | |
| C05 | C08 | sing | 1.47Å | 1.50Å | |
| C13 | C12 | sing | 1.39Å | 1.54Å | Aromatic |
| C01 | C09 | sing | 1.47Å | 1.53Å | |
| C09 | C10 | doub | 1.40Å | 1.52Å | Aromatic |
| C08 | C15 | doub | 1.40Å | 1.52Å | Aromatic |
| C08 | C19 | sing | 1.40Å | 1.52Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.52Å | Aromatic |
| C12 | O21 | sing | 1.36Å | 1.42Å | |
| C12 | C11 | doub | 1.39Å | 1.53Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.51Å | Aromatic |
| O21 | C32 | sing | 1.43Å | 1.41Å | |
| C16 | C17 | doub | 1.39Å | 1.52Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.53Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.52Å | Aromatic |
| C17 | O20 | sing | 1.36Å | 1.39Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| O20 | H18 | sing | 0.97Å | 0.95Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| N22 | C1 | sing | 1.40Å | 21.03Å | |
| C1 | C2 | sing | 1.39Å | 0.00Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 0.00Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 0.00Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 0.00Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 0.00Å | Aromatic |
| C4 | O1 | sing | 1.36Å | 0.00Å | |
| O1 | C8 | sing | 1.43Å | 0.00Å | |
| C2 | H19 | sing | 1.08Å | 0.00Å | |
| C3 | H20 | sing | 1.08Å | 0.00Å | |
| C5 | H21 | sing | 1.08Å | 0.00Å | |
| C6 | H29 | sing | 1.08Å | 0.00Å | |
| C8 | H30 | sing | 1.09Å | 0.00Å | |
| C8 | H31 | sing | 1.09Å | 0.00Å | |
| C8 | H32 | sing | 1.09Å | 0.00Å | |
| C34 | C7 | sing | 1.53Å | 32.07Å | |
| C7 | N1 | sing | 1.47Å | 0.00Å | |
| N1 | C20 | sing | 1.47Å | 0.00Å | |
| C20 | C21 | sing | 1.53Å | 0.00Å | |
| C21 | C22 | sing | 1.53Å | 0.00Å | |
| C22 | C23 | sing | 1.53Å | 0.00Å | |
| C23 | C25 | sing | 1.53Å | 0.00Å | |
| C25 | N1 | sing | 1.47Å | 0.00Å | |
| C7 | H28 | sing | 1.09Å | 0.00Å | |
| C7 | H33 | sing | 1.09Å | 0.00Å | |
| C20 | H34 | sing | 1.09Å | 0.00Å | |
| C20 | H35 | sing | 1.09Å | 0.00Å | |
| C21 | H36 | sing | 1.09Å | 0.00Å | |
| C21 | H37 | sing | 1.09Å | 0.00Å | |
| C22 | H38 | sing | 1.09Å | 0.00Å | |
| C22 | H39 | sing | 1.09Å | 0.00Å | |
| C23 | H40 | sing | 1.09Å | 0.00Å | |
| C23 | H41 | sing | 1.09Å | 0.00Å | |
| C25 | H42 | sing | 1.09Å | 0.00Å | |
| C25 | H43 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F47 | C45 | C24 | 112.4° | 109.5° |
| F47 | C45 | F46 | 106.9° | 109.5° |
| F47 | C45 | F48 | 108.4° | 109.4° |
| C45 | C24 | N22 | 114.2° | 109.5° |
| C24 | C45 | F46 | 110.0° | 109.5° |
| C24 | C45 | F48 | 109.8° | 109.5° |
| C45 | C24 | H4 | 108.3° | 109.4° |
| C45 | C24 | H5 | 108.3° | 109.5° |
| C24 | N22 | S42 | 121.5° | 120.0° |
| N22 | C24 | H4 | 108.3° | 109.5° |
| N22 | C24 | H5 | 108.3° | 109.5° |
| C24 | N22 | C1 | 113.3° | 120.0° |
| F46 | C45 | F48 | 109.2° | 109.5° |
| N22 | S42 | O43 | 111.1° | 104.3° |
| N22 | S42 | O44 | 112.4° | 104.3° |
| N22 | S42 | C03 | 110.5° | 104.4° |
| S42 | N22 | C1 | 112.4° | 120.0° |
| O43 | S42 | O44 | 101.6° | 121.0° |
| O43 | S42 | C03 | 111.3° | 110.5° |
| O44 | S42 | C03 | 109.8° | 110.5° |
| S42 | C03 | C04 | 108.5° | 110.9° |
| S42 | C03 | C02 | 108.8° | 111.0° |
| S42 | C03 | H8 | 103.6° | 110.8° |
| C03 | C04 | C06 | 111.0° | 101.9° |
| C04 | C03 | C02 | 110.5° | 101.9° |
| C04 | C03 | H8 | 114.0° | 111.0° |
| C03 | C04 | H9 | 109.1° | 110.9° |
| C03 | C04 | H10 | 109.1° | 110.9° |
| C04 | C06 | C05 | 110.5° | 105.3° |
| C04 | C06 | O07 | 93.8° | 101.1° |
| C06 | C04 | H9 | 109.1° | 110.9° |
| C06 | C04 | H10 | 109.1° | 111.0° |
| C04 | C06 | H12 | 117.8° | 115.6° |
| C03 | C02 | O07 | 97.0° | 101.1° |
| C03 | C02 | C01 | 113.8° | 105.1° |
| C03 | C02 | H7 | 116.7° | 116.2° |
| C02 | C03 | H8 | 111.2° | 111.0° |
| C05 | C06 | O07 | 103.9° | 100.6° |
| C06 | C05 | C01 | 97.9° | 106.0° |
| C06 | C05 | C08 | 120.1° | 127.0° |
| C05 | C06 | H12 | 114.6° | 115.6° |
| C06 | O07 | C02 | 93.6° | 97.0° |
| O07 | C06 | H12 | 113.6° | 116.6° |
| C13 | C14 | C09 | 119.1° | 119.9° |
| C14 | C13 | C12 | 121.0° | 120.1° |
| C14 | C13 | H2 | 119.5° | 119.9° |
| C13 | C14 | H14 | 120.5° | 120.1° |
| C14 | C09 | C01 | 123.0° | 120.1° |
| C14 | C09 | C10 | 120.2° | 119.8° |
| C09 | C14 | H14 | 120.4° | 120.1° |
| O07 | C02 | C01 | 96.4° | 100.7° |
| O07 | C02 | H7 | 114.6° | 116.0° |
| C02 | C01 | C05 | 98.6° | 105.9° |
| C02 | C01 | C09 | 126.2° | 127.0° |
| C01 | C02 | H7 | 115.0° | 115.6° |
| C01 | C05 | C08 | 119.5° | 127.0° |
| C05 | C01 | C09 | 124.0° | 127.1° |
| C05 | C08 | C15 | 119.6° | 120.1° |
| C05 | C08 | C19 | 119.0° | 120.1° |
| C13 | C12 | O21 | 121.3° | 119.9° |
| C13 | C12 | C11 | 118.9° | 120.2° |
| C12 | C13 | H2 | 119.5° | 120.0° |
| C01 | C09 | C10 | 116.8° | 120.1° |
| C09 | C10 | C11 | 120.6° | 119.9° |
| C09 | C10 | H1 | 119.7° | 120.1° |
| C15 | C08 | C19 | 121.4° | 119.8° |
| C08 | C15 | C16 | 119.1° | 119.9° |
| C08 | C15 | H3 | 120.4° | 120.1° |
| C08 | C19 | C18 | 119.1° | 119.9° |
| C08 | C19 | H17 | 120.5° | 120.1° |
| C15 | C16 | C17 | 119.4° | 120.1° |
| C16 | C15 | H3 | 120.5° | 120.0° |
| C15 | C16 | H15 | 120.3° | 120.0° |
| O21 | C12 | C11 | 119.8° | 119.9° |
| C12 | O21 | C32 | 117.7° | 117.0° |
| C12 | C11 | C10 | 120.2° | 120.1° |
| C12 | C11 | H13 | 119.9° | 119.9° |
| C19 | C18 | C17 | 120.3° | 120.1° |
| C19 | C18 | H16 | 119.8° | 120.0° |
| C18 | C19 | H17 | 120.4° | 120.0° |
| O21 | C32 | C33 | 110.5° | 109.5° |
| O21 | C32 | H22 | 109.2° | 109.5° |
| O21 | C32 | H23 | 109.2° | 109.5° |
| C16 | C17 | C18 | 120.7° | 120.2° |
| C16 | C17 | O20 | 121.8° | 119.9° |
| C17 | C16 | H15 | 120.3° | 119.9° |
| C11 | C10 | H1 | 119.7° | 120.1° |
| C10 | C11 | H13 | 119.9° | 119.9° |
| C18 | C17 | O20 | 117.4° | 119.9° |
| C17 | C18 | H16 | 119.8° | 119.9° |
| C17 | O20 | H18 | 109.5° | 114.0° |
| C32 | C33 | C34 | 110.6° | 109.5° |
| C33 | C32 | H22 | 109.2° | 109.5° |
| C33 | C32 | H23 | 109.2° | 109.5° |
| C32 | C33 | H24 | 109.2° | 109.5° |
| C32 | C33 | H25 | 109.2° | 109.5° |
| C34 | C33 | H24 | 109.2° | 109.4° |
| C34 | C33 | H25 | 109.2° | 109.4° |
| C33 | C34 | H26 | 120.3° | 109.5° |
| C33 | C34 | H27 | 120.3° | 109.5° |
| C33 | C34 | C7 | 57.9° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.4° |
| H9 | C04 | H10 | 109.5° | 110.8° |
| H22 | C32 | H23 | 109.5° | 109.4° |
| H24 | C33 | H25 | 109.5° | 109.5° |
| H26 | C34 | H27 | 109.5° | 109.5° |
| H26 | C34 | C7 | 120.4° | 109.5° |
| H27 | C34 | C7 | 120.3° | 109.4° |
| N22 | C1 | C2 | 90.0° | 120.0° |
| N22 | C1 | C6 | 90.0° | 120.1° |
| C1 | C2 | C3 | 90.0° | 120.0° |
| C2 | C1 | C6 | 90.0° | 119.9° |
| C1 | C2 | H19 | 90.0° | 119.9° |
| C2 | C3 | C4 | 90.0° | 120.0° |
| C3 | C2 | H19 | 90.0° | 120.0° |
| C2 | C3 | H20 | 90.0° | 120.0° |
| C3 | C4 | C5 | 90.0° | 120.1° |
| C3 | C4 | O1 | 90.0° | 119.9° |
| C4 | C3 | H20 | 90.0° | 120.0° |
| C4 | C5 | C6 | 90.0° | 120.0° |
| C5 | C4 | O1 | 90.0° | 120.0° |
| C4 | C5 | H21 | 90.0° | 120.0° |
| C5 | C6 | C1 | 90.0° | 120.0° |
| C6 | C5 | H21 | 90.0° | 119.9° |
| C5 | C6 | H29 | 90.0° | 120.1° |
| C1 | C6 | H29 | 90.0° | 119.9° |
| C4 | O1 | C8 | 90.0° | 117.0° |
| O1 | C8 | H30 | 90.0° | 109.5° |
| O1 | C8 | H31 | 90.0° | 109.5° |
| O1 | C8 | H32 | 90.0° | 109.5° |
| H30 | C8 | H31 | 90.0° | 109.4° |
| H30 | C8 | H32 | 90.0° | 109.4° |
| H31 | C8 | H32 | 90.0° | 109.5° |
| C34 | C7 | N1 | 90.0° | 109.5° |
| C34 | C7 | H28 | 90.0° | 109.5° |
| C34 | C7 | H33 | 90.0° | 109.5° |
| C7 | N1 | C20 | 90.0° | 111.0° |
| C7 | N1 | C25 | 90.0° | 110.9° |
| N1 | C7 | H28 | 90.0° | 109.5° |
| N1 | C7 | H33 | 90.0° | 109.4° |
| N1 | C20 | C21 | 90.0° | 109.5° |
| C20 | N1 | C25 | 90.0° | 111.2° |
| N1 | C20 | H34 | 90.0° | 109.5° |
| N1 | C20 | H35 | 90.0° | 109.4° |
| C20 | C21 | C22 | 90.0° | 109.3° |
| C21 | C20 | H34 | 90.0° | 109.5° |
| C21 | C20 | H35 | 90.0° | 109.5° |
| C20 | C21 | H36 | 90.0° | 109.5° |
| C20 | C21 | H37 | 90.0° | 109.6° |
| C21 | C22 | C23 | 90.0° | 109.1° |
| C22 | C21 | H36 | 90.0° | 109.5° |
| C22 | C21 | H37 | 90.0° | 109.5° |
| C21 | C22 | H38 | 90.0° | 109.5° |
| C21 | C22 | H39 | 90.0° | 109.5° |
| C22 | C23 | C25 | 90.0° | 109.3° |
| C23 | C22 | H38 | 90.0° | 109.5° |
| C23 | C22 | H39 | 90.0° | 109.5° |
| C22 | C23 | H40 | 90.0° | 109.5° |
| C22 | C23 | H41 | 90.0° | 109.5° |
| C23 | C25 | N1 | 90.0° | 109.5° |
| C25 | C23 | H40 | 90.0° | 109.5° |
| C25 | C23 | H41 | 90.0° | 109.5° |
| C23 | C25 | H42 | 90.0° | 109.5° |
| C23 | C25 | H43 | 90.0° | 109.4° |
| N1 | C25 | H42 | 90.0° | 109.4° |
| N1 | C25 | H43 | 90.0° | 109.5° |
| H28 | C7 | H33 | 90.0° | 109.5° |
| H34 | C20 | H35 | 90.0° | 109.4° |
| H36 | C21 | H37 | 90.0° | 109.6° |
| H38 | C22 | H39 | 90.0° | 109.6° |
| H40 | C23 | H41 | 90.0° | 109.6° |
| H42 | C25 | H43 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F47 | C45 | C24 | F46 | 119.0° | 120.0° |
| F47 | C45 | C24 | F48 | 120.7° | 119.9° |
| F47 | C45 | C24 | N22 | 103.4° | 175.6° |
| F47 | C45 | F46 | F48 | 117.1° | 120.0° |
| F47 | C45 | C24 | H4 | 17.3° | 55.5° |
| F47 | C45 | C24 | H5 | 135.9° | 64.4° |
| C45 | C24 | N22 | H4 | 120.7° | 120.0° |
| C45 | C24 | N22 | H5 | 120.7° | 120.1° |
| C24 | C45 | F46 | F48 | 120.6° | 120.0° |
| C45 | C24 | N22 | S42 | 77.1° | 98.0° |
| C45 | C24 | H4 | H5 | 117.9° | 120.0° |
| C45 | C24 | N22 | C1 | 61.4° | 81.9° |
| N22 | C24 | C45 | F46 | 137.6° | 55.5° |
| N22 | C24 | C45 | F48 | 17.4° | 64.5° |
| C24 | N22 | S42 | C1 | 138.9° | 179.9° |
| C24 | N22 | S42 | O43 | 150.7° | 31.4° |
| C24 | N22 | S42 | O44 | 96.2° | 159.3° |
| C24 | N22 | S42 | C03 | 26.7° | 84.6° |
| N22 | C24 | H4 | H5 | 117.8° | 120.0° |
| C24 | N22 | C1 | C2 | 90.0° | 60.6° |
| C24 | N22 | C1 | C6 | 90.0° | 119.2° |
| F46 | C45 | C24 | H4 | 101.7° | 64.5° |
| F46 | C45 | C24 | H5 | 16.9° | 175.6° |
| F48 | C45 | C24 | H4 | 138.0° | 175.5° |
| F48 | C45 | C24 | H5 | 103.3° | 55.5° |
| N22 | S42 | O43 | O44 | 119.7° | 116.8° |
| N22 | S42 | O43 | C03 | 123.5° | 111.7° |
| N22 | S42 | O44 | C03 | 123.3° | 111.7° |
| N22 | S42 | C03 | C04 | 58.0° | 67.2° |
| N22 | S42 | C03 | C02 | 178.2° | 179.7° |
| S42 | N22 | C24 | H4 | 162.2° | 142.0° |
| S42 | N22 | C24 | H5 | 43.6° | 22.1° |
| N22 | S42 | C03 | H8 | 63.4° | 56.5° |
| S42 | N22 | C1 | C2 | 90.0° | 119.5° |
| S42 | N22 | C1 | C6 | 90.0° | 60.8° |
| O43 | S42 | O44 | C03 | 117.8° | 131.4° |
| O43 | S42 | C03 | C04 | 178.0° | 178.9° |
| O43 | S42 | C03 | C02 | 57.8° | 68.6° |
| O43 | S42 | C03 | H8 | 60.5° | 55.2° |
| O43 | S42 | N22 | C1 | 70.4° | 148.5° |
| O44 | S42 | C03 | C04 | 66.4° | 44.5° |
| O44 | S42 | C03 | C02 | 53.8° | 68.1° |
| O44 | S42 | C03 | H8 | 172.2° | 168.1° |
| O44 | S42 | N22 | C1 | 42.7° | 20.6° |
| S42 | C03 | C04 | C02 | 119.2° | 118.2° |
| S42 | C03 | C04 | H8 | 114.8° | 123.6° |
| S42 | C03 | C04 | C06 | 134.0° | 118.2° |
| S42 | C03 | C02 | H8 | 113.5° | 123.7° |
| S42 | C03 | C02 | O07 | 94.8° | 83.4° |
| S42 | C03 | C02 | C01 | 165.0° | 172.2° |
| S42 | C03 | C02 | H7 | 27.3° | 43.0° |
| S42 | C03 | C04 | H9 | 105.8° | 123.7° |
| S42 | C03 | C04 | H10 | 13.7° | 0.0° |
| C03 | S42 | N22 | C1 | 165.6° | 95.5° |
| C03 | C04 | C06 | H9 | 120.2° | 118.1° |
| C03 | C04 | C06 | H10 | 120.2° | 118.2° |
| C04 | C03 | C02 | H8 | 127.6° | 118.2° |
| C03 | C04 | C06 | C05 | 61.6° | 69.5° |
| C03 | C04 | C06 | O07 | 44.7° | 34.8° |
| C04 | C03 | C02 | O07 | 24.1° | 34.7° |
| C04 | C03 | C02 | C01 | 76.1° | 69.7° |
| C04 | C03 | C02 | H7 | 146.3° | 161.1° |
| C03 | C04 | H9 | H10 | 119.3° | 123.7° |
| C03 | C04 | C06 | H12 | 163.9° | 161.6° |
| C06 | C04 | C03 | C02 | 14.8° | 0.0° |
| C04 | C06 | C05 | O07 | 99.5° | 104.7° |
| C04 | C06 | C05 | H12 | 136.0° | 128.9° |
| C04 | C06 | O07 | H12 | 122.6° | 126.2° |
| C04 | C06 | O07 | C02 | 54.0° | 57.4° |
| C04 | C06 | C05 | C01 | 75.1° | 72.2° |
| C04 | C06 | C05 | C08 | 154.0° | 107.7° |
| C06 | C04 | C03 | H8 | 111.2° | 118.2° |
| C06 | C04 | H9 | H10 | 119.3° | 123.8° |
| C03 | C02 | O07 | C06 | 46.2° | 57.3° |
| C03 | C02 | O07 | C01 | 115.0° | 107.9° |
| C03 | C02 | O07 | H7 | 123.7° | 126.5° |
| C03 | C02 | C01 | H7 | 138.4° | 129.5° |
| C03 | C02 | C01 | C05 | 48.3° | 72.8° |
| C03 | C02 | C01 | C09 | 96.1° | 107.5° |
| C02 | C03 | C04 | H9 | 135.1° | 118.2° |
| C02 | C03 | C04 | H10 | 105.4° | 118.2° |
| C05 | C06 | O07 | H12 | 125.2° | 125.7° |
| C05 | C06 | O07 | C02 | 58.2° | 50.7° |
| C06 | C05 | C01 | C02 | 16.8° | 0.4° |
| C06 | C05 | C01 | C08 | 131.3° | 179.9° |
| C06 | C05 | C01 | C09 | 162.2° | 179.9° |
| C06 | C05 | C08 | C15 | 161.7° | 114.8° |
| C06 | C05 | C08 | C19 | 18.5° | 65.2° |
| C05 | C06 | C04 | H9 | 58.6° | 48.6° |
| C05 | C06 | C04 | H10 | 178.2° | 172.3° |
| C06 | O07 | C02 | C01 | 68.8° | 50.6° |
| O07 | C06 | C05 | C01 | 24.4° | 32.5° |
| O07 | C06 | C05 | C08 | 106.5° | 147.6° |
| C06 | O07 | C02 | H7 | 169.9° | 176.1° |
| O07 | C06 | C04 | H9 | 164.9° | 152.9° |
| O07 | C06 | C04 | H10 | 75.5° | 83.4° |
| C13 | C14 | C09 | H14 | 180.0° | 179.2° |
| C14 | C13 | C12 | H2 | 180.0° | 180.0° |
| C13 | C14 | C09 | C01 | 179.5° | 179.5° |
| C13 | C14 | C09 | C10 | 0.5° | 0.5° |
| C14 | C13 | C12 | O21 | 179.3° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.5° |
| C14 | C09 | C01 | C02 | 63.4° | 65.1° |
| C14 | C09 | C01 | C05 | 72.6° | 115.3° |
| C09 | C14 | C13 | C12 | 0.4° | 0.8° |
| C14 | C09 | C01 | C10 | 180.0° | 179.9° |
| C14 | C09 | C10 | C11 | 0.4° | 0.0° |
| C14 | C09 | C10 | H1 | 179.6° | 179.7° |
| C09 | C14 | C13 | H2 | 179.6° | 179.2° |
| O07 | C02 | C01 | H7 | 121.0° | 125.8° |
| O07 | C02 | C01 | C05 | 52.3° | 31.9° |
| O07 | C02 | C01 | C09 | 163.3° | 147.8° |
| O07 | C02 | C03 | H8 | 151.7° | 152.9° |
| C02 | O07 | C06 | H12 | 176.6° | 176.5° |
| C02 | C01 | C05 | C09 | 145.5° | 179.7° |
| C02 | C01 | C05 | C08 | 148.0° | 179.7° |
| C02 | C01 | C09 | C10 | 116.6° | 115.0° |
| C01 | C02 | C03 | H8 | 51.5° | 48.5° |
| C05 | C01 | C09 | C10 | 107.4° | 64.6° |
| C01 | C05 | C08 | C15 | 77.7° | 65.0° |
| C01 | C05 | C08 | C19 | 102.2° | 115.0° |
| C05 | C01 | C02 | H7 | 173.3° | 157.7° |
| C01 | C05 | C06 | H12 | 148.9° | 158.9° |
| C08 | C05 | C01 | C09 | 66.5° | 0.1° |
| C05 | C08 | C15 | C19 | 179.9° | 180.0° |
| C05 | C08 | C15 | C16 | 179.8° | 180.0° |
| C05 | C08 | C19 | C18 | 179.8° | 180.0° |
| C05 | C08 | C15 | H3 | 0.2° | 0.3° |
| C08 | C05 | C06 | H12 | 18.0° | 21.2° |
| C05 | C08 | C19 | H17 | 0.3° | 0.0° |
| C13 | C12 | O21 | C11 | 179.4° | 179.4° |
| C13 | C12 | O21 | C32 | 133.8° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C13 | C12 | C11 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | H14 | 179.6° | 180.0° |
| C01 | C09 | C10 | C11 | 179.6° | 179.9° |
| C01 | C09 | C10 | H1 | 0.4° | 0.3° |
| C09 | C01 | C02 | H7 | 42.3° | 22.0° |
| C01 | C09 | C14 | H14 | 0.5° | 0.3° |
| C09 | C10 | C11 | C12 | 0.2° | 0.3° |
| C09 | C10 | C11 | H1 | 180.0° | 179.6° |
| C09 | C10 | C11 | H13 | 179.8° | 179.7° |
| C10 | C09 | C14 | H14 | 179.5° | 179.7° |
| C08 | C15 | C16 | H3 | 180.0° | 179.7° |
| C15 | C08 | C19 | C18 | 0.4° | 0.0° |
| C08 | C15 | C16 | C17 | 0.0° | 0.2° |
| C08 | C15 | C16 | H15 | 179.9° | 179.7° |
| C15 | C08 | C19 | H17 | 179.6° | 180.0° |
| C19 | C08 | C15 | C16 | 0.3° | 0.0° |
| C08 | C19 | C18 | H17 | 180.0° | 180.0° |
| C08 | C19 | C18 | C17 | 0.2° | 0.2° |
| C19 | C08 | C15 | H3 | 179.7° | 179.7° |
| C08 | C19 | C18 | H16 | 179.9° | 179.7° |
| C15 | C16 | C17 | H15 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.2° | 0.5° |
| C15 | C16 | C17 | O20 | 179.9° | 180.0° |
| O21 | C12 | C11 | C10 | 179.4° | 179.4° |
| C12 | O21 | C32 | C33 | 102.0° | 180.0° |
| O21 | C12 | C13 | H2 | 0.7° | 0.0° |
| O21 | C12 | C11 | H13 | 0.6° | 0.5° |
| C12 | O21 | C32 | H22 | 18.2° | 60.0° |
| C12 | O21 | C32 | H23 | 137.9° | 60.0° |
| C11 | C12 | O21 | C32 | 46.8° | 0.5° |
| C12 | C11 | C10 | H13 | 180.0° | 180.0° |
| C12 | C11 | C10 | H1 | 179.8° | 179.9° |
| C11 | C12 | C13 | H2 | 179.8° | 179.4° |
| C19 | C18 | C17 | C16 | 0.1° | 0.5° |
| C19 | C18 | C17 | H16 | 180.0° | 180.0° |
| C19 | C18 | C17 | O20 | 179.9° | 180.0° |
| O21 | C32 | C33 | H22 | 120.2° | 120.0° |
| O21 | C32 | C33 | H23 | 120.1° | 120.0° |
| O21 | C32 | C33 | C34 | 147.6° | 180.0° |
| O21 | C32 | H22 | H23 | 119.5° | 120.0° |
| O21 | C32 | C33 | H24 | 27.4° | 60.1° |
| O21 | C32 | C33 | H25 | 92.3° | 60.0° |
| C16 | C17 | C18 | O20 | 179.8° | 179.5° |
| C17 | C16 | C15 | H3 | 180.0° | 179.9° |
| C16 | C17 | C18 | H16 | 179.9° | 179.5° |
| C16 | C17 | O20 | H18 | 180.0° | 90.0° |
| C18 | C17 | C16 | H15 | 179.9° | 179.5° |
| C17 | C18 | C19 | H17 | 179.8° | 179.8° |
| C18 | C17 | O20 | H18 | 0.2° | 90.5° |
| O20 | C17 | C16 | H15 | 0.1° | 0.0° |
| O20 | C17 | C18 | H16 | 0.1° | 0.0° |
| C32 | C33 | C34 | H24 | 120.2° | 120.0° |
| C32 | C33 | C34 | H25 | 120.2° | 120.0° |
| C33 | C32 | H22 | H23 | 119.5° | 120.0° |
| C32 | C33 | H24 | H25 | 119.5° | 120.1° |
| C32 | C33 | C34 | H26 | 71.4° | 60.0° |
| C32 | C33 | C34 | H27 | 146.4° | 60.0° |
| C32 | C33 | C34 | C7 | 37.5° | 179.9° |
| C34 | C33 | C32 | H22 | 92.2° | 60.0° |
| C34 | C33 | C32 | H23 | 27.4° | 60.0° |
| C34 | C33 | H24 | H25 | 119.4° | 120.0° |
| C33 | C34 | H26 | H27 | 145.8° | 120.0° |
| C33 | C34 | H26 | C7 | 68.3° | 120.0° |
| C33 | C34 | H27 | C7 | 68.3° | 120.0° |
| C33 | C34 | C7 | N1 | 90.0° | 180.0° |
| C33 | C34 | C7 | H28 | 90.0° | 60.0° |
| C33 | C34 | C7 | H33 | 90.0° | 60.0° |
| H1 | C10 | C11 | H13 | 0.1° | 0.1° |
| H2 | C13 | C14 | H14 | 0.4° | 0.0° |
| H3 | C15 | C16 | H15 | 0.1° | 0.0° |
| H4 | C24 | N22 | C1 | 59.3° | 38.1° |
| H5 | C24 | N22 | C1 | 177.9° | 158.0° |
| H7 | C02 | C03 | H8 | 86.2° | 80.7° |
| H8 | C03 | C04 | H9 | 9.1° | 0.1° |
| H8 | C03 | C04 | H10 | 128.6° | 123.6° |
| H9 | C04 | C06 | H12 | 75.8° | 80.3° |
| H10 | C04 | C06 | H12 | 43.7° | 43.4° |
| H16 | C18 | C19 | H17 | 0.1° | 0.3° |
| H22 | C32 | C33 | H24 | 147.6° | 180.0° |
| H22 | C32 | C33 | H25 | 27.9° | 60.0° |
| H23 | C32 | C33 | H24 | 92.7° | 59.9° |
| H23 | C32 | C33 | H25 | 147.6° | 180.0° |
| H24 | C33 | C34 | H26 | 48.8° | 180.0° |
| H24 | C33 | C34 | H27 | 93.4° | 60.0° |
| H24 | C33 | C34 | C7 | 157.7° | 60.0° |
| H25 | C33 | C34 | H26 | 168.4° | 60.0° |
| H25 | C33 | C34 | H27 | 26.2° | 180.0° |
| H25 | C33 | C34 | C7 | 82.7° | 60.0° |
| H26 | C34 | H27 | C7 | 145.9° | 120.0° |
| H26 | C34 | C7 | N1 | 90.0° | 59.9° |
| H26 | C34 | C7 | H28 | 90.0° | 180.0° |
| H26 | C34 | C7 | H33 | 90.0° | 60.0° |
| H27 | C34 | C7 | N1 | 90.0° | 60.1° |
| H27 | C34 | C7 | H28 | 90.0° | 60.0° |
| H27 | C34 | C7 | H33 | 90.0° | 180.0° |
| N22 | C1 | C2 | C6 | 90.0° | 179.7° |
| N22 | C1 | C2 | C3 | 90.0° | 180.0° |
| N22 | C1 | C6 | C5 | 90.0° | 179.7° |
| N22 | C1 | C2 | H19 | 90.0° | 0.0° |
| N22 | C1 | C6 | H29 | 90.0° | 0.3° |
| C1 | C2 | C3 | H19 | 90.0° | 180.0° |
| C1 | C2 | C3 | C4 | 90.0° | 0.0° |
| C2 | C1 | C6 | C5 | 90.0° | 0.6° |
| C1 | C2 | C3 | H20 | 90.0° | 179.9° |
| C2 | C1 | C6 | H29 | 90.0° | 180.0° |
| C2 | C3 | C4 | H20 | 90.0° | 179.9° |
| C2 | C3 | C4 | C5 | 90.0° | 0.0° |
| C3 | C2 | C1 | C6 | 90.0° | 0.3° |
| C2 | C3 | C4 | O1 | 90.0° | 180.0° |
| C3 | C4 | C5 | O1 | 90.0° | 179.9° |
| C3 | C4 | C5 | C6 | 90.0° | 0.3° |
| C3 | C4 | O1 | C8 | 90.0° | 180.0° |
| C4 | C3 | C2 | H19 | 90.0° | 180.0° |
| C3 | C4 | C5 | H21 | 90.0° | 180.0° |
| C4 | C5 | C6 | H21 | 90.0° | 179.7° |
| C4 | C5 | C6 | C1 | 90.0° | 0.6° |
| C5 | C4 | O1 | C8 | 90.0° | 0.1° |
| C5 | C4 | C3 | H20 | 90.0° | 179.9° |
| C4 | C5 | C6 | H29 | 90.0° | 180.0° |
| C5 | C6 | C1 | H29 | 90.0° | 179.4° |
| C6 | C5 | C4 | O1 | 90.0° | 179.7° |
| C6 | C1 | C2 | H19 | 90.0° | 179.7° |
| C1 | C6 | C5 | H21 | 90.0° | 179.7° |
| O1 | C4 | C3 | H20 | 90.0° | 0.0° |
| O1 | C4 | C5 | H21 | 90.0° | 0.0° |
| C4 | O1 | C8 | H30 | 90.0° | 60.0° |
| C4 | O1 | C8 | H31 | 90.0° | 180.0° |
| C4 | O1 | C8 | H32 | 90.0° | 60.0° |
| O1 | C8 | H30 | H31 | 90.0° | 120.0° |
| O1 | C8 | H30 | H32 | 90.0° | 120.1° |
| O1 | C8 | H31 | H32 | 90.0° | 120.1° |
| H19 | C2 | C3 | H20 | 90.0° | 0.0° |
| H21 | C5 | C6 | H29 | 90.0° | 0.3° |
| H30 | C8 | H31 | H32 | 90.0° | 119.9° |
| C34 | C7 | N1 | H28 | 90.0° | 120.1° |
| C34 | C7 | N1 | H33 | 90.0° | 119.9° |
| C34 | C7 | N1 | C20 | 90.0° | 170.0° |
| C34 | C7 | N1 | C25 | 90.0° | 45.9° |
| C34 | C7 | H28 | H33 | 90.0° | 120.0° |
| C7 | N1 | C20 | C25 | 90.0° | 124.0° |
| C7 | N1 | C20 | C21 | 90.0° | 174.2° |
| C7 | N1 | C25 | C23 | 90.0° | 174.2° |
| N1 | C7 | H28 | H33 | 90.0° | 119.9° |
| C7 | N1 | C20 | H34 | 90.0° | 65.7° |
| C7 | N1 | C20 | H35 | 90.0° | 54.2° |
| C7 | N1 | C25 | H42 | 90.0° | 54.2° |
| C7 | N1 | C25 | H43 | 90.0° | 65.8° |
| N1 | C20 | C21 | H34 | 90.0° | 120.1° |
| N1 | C20 | C21 | H35 | 90.0° | 119.9° |
| N1 | C20 | C21 | C22 | 90.0° | 59.3° |
| C20 | N1 | C25 | C23 | 90.0° | 61.8° |
| C20 | N1 | C7 | H28 | 90.0° | 49.9° |
| C20 | N1 | C7 | H33 | 90.0° | 70.1° |
| N1 | C20 | H34 | H35 | 90.0° | 119.9° |
| N1 | C20 | C21 | H36 | 90.0° | 179.2° |
| N1 | C20 | C21 | H37 | 90.0° | 60.7° |
| C20 | N1 | C25 | H42 | 90.0° | 178.2° |
| C20 | N1 | C25 | H43 | 90.0° | 58.2° |
| C20 | C21 | C22 | H36 | 90.0° | 119.9° |
| C20 | C21 | C22 | H37 | 90.0° | 120.0° |
| C20 | C21 | C22 | C23 | 90.0° | 57.7° |
| C21 | C20 | N1 | C25 | 90.0° | 61.8° |
| C21 | C20 | H34 | H35 | 90.0° | 120.0° |
| C20 | C21 | H36 | H37 | 90.0° | 120.2° |
| C20 | C21 | C22 | H38 | 90.0° | 62.2° |
| C20 | C21 | C22 | H39 | 90.0° | 177.6° |
| C21 | C22 | C23 | H38 | 90.0° | 119.9° |
| C21 | C22 | C23 | H39 | 90.0° | 119.9° |
| C21 | C22 | C23 | C25 | 90.0° | 57.6° |
| C22 | C21 | C20 | H34 | 90.0° | 60.8° |
| C22 | C21 | C20 | H35 | 90.0° | 179.2° |
| C22 | C21 | H36 | H37 | 90.0° | 120.1° |
| C21 | C22 | H38 | H39 | 90.0° | 120.2° |
| C21 | C22 | C23 | H40 | 90.0° | 177.6° |
| C21 | C22 | C23 | H41 | 90.0° | 62.3° |
| C22 | C23 | C25 | H40 | 90.0° | 119.9° |
| C22 | C23 | C25 | H41 | 90.0° | 119.9° |
| C22 | C23 | C25 | N1 | 90.0° | 59.2° |
| C23 | C22 | C21 | H36 | 90.0° | 177.6° |
| C23 | C22 | C21 | H37 | 90.0° | 62.3° |
| C23 | C22 | H38 | H39 | 90.0° | 120.2° |
| C22 | C23 | H40 | H41 | 90.0° | 120.1° |
| C22 | C23 | C25 | H42 | 90.0° | 179.2° |
| C22 | C23 | C25 | H43 | 90.0° | 60.8° |
| C23 | C25 | N1 | H42 | 90.0° | 120.0° |
| C23 | C25 | N1 | H43 | 90.0° | 120.0° |
| C25 | C23 | C22 | H38 | 90.0° | 62.2° |
| C25 | C23 | C22 | H39 | 90.0° | 177.5° |
| C25 | C23 | H40 | H41 | 90.0° | 120.1° |
| C23 | C25 | H42 | H43 | 90.0° | 120.0° |
| C25 | N1 | C7 | H28 | 90.0° | 74.2° |
| C25 | N1 | C7 | H33 | 90.0° | 165.8° |
| C25 | N1 | C20 | H34 | 90.0° | 58.3° |
| C25 | N1 | C20 | H35 | 90.0° | 178.2° |
| N1 | C25 | C23 | H40 | 90.0° | 179.1° |
| N1 | C25 | C23 | H41 | 90.0° | 60.7° |
| N1 | C25 | H42 | H43 | 90.0° | 120.0° |
| H34 | C20 | C21 | H36 | 90.0° | 59.1° |
| H34 | C20 | C21 | H37 | 90.0° | 179.2° |
| H35 | C20 | C21 | H36 | 90.0° | 60.9° |
| H35 | C20 | C21 | H37 | 90.0° | 59.2° |
| H36 | C21 | C22 | H38 | 90.0° | 57.7° |
| H36 | C21 | C22 | H39 | 90.0° | 62.6° |
| H37 | C21 | C22 | H38 | 90.0° | 177.8° |
| H37 | C21 | C22 | H39 | 90.0° | 57.5° |
| H38 | C22 | C23 | H40 | 90.0° | 57.7° |
| H38 | C22 | C23 | H41 | 90.0° | 177.9° |
| H39 | C22 | C23 | H40 | 90.0° | 62.5° |
| H39 | C22 | C23 | H41 | 90.0° | 57.6° |
| H40 | C23 | C25 | H42 | 90.0° | 60.9° |
| H40 | C23 | C25 | H43 | 90.0° | 59.1° |
| H41 | C23 | C25 | H42 | 90.0° | 59.3° |
| H41 | C23 | C25 | H43 | 90.0° | 179.3° |
