77I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F03 | C01 | sing | 1.40Å | 1.39Å | |
| C01 | F02 | sing | 1.40Å | 1.39Å | |
| C01 | F01 | sing | 1.40Å | 1.39Å | |
| C01 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | N02 | sing | 1.46Å | 1.47Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| O05 | C20 | sing | 1.36Å | 1.35Å | |
| C22 | C29 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | O06 | sing | 1.47Å | 1.45Å | |
| C30 | C32 | sing | 1.56Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.50Å | |
| O06 | C34 | sing | 1.47Å | 1.45Å | |
| N02 | C17 | sing | 1.40Å | 1.26Å | |
| N02 | S01 | sing | 1.66Å | 1.70Å | |
| C32 | C35 | sing | 1.55Å | 1.54Å | |
| C29 | C31 | sing | 1.47Å | 1.34Å | |
| C29 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C33 | doub | 1.36Å | 1.36Å | |
| C17 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| O02 | S01 | doub | 1.42Å | 1.45Å | |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| S01 | C35 | sing | 1.81Å | 1.79Å | |
| S01 | O01 | doub | 1.42Å | 1.45Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.56Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | O03 | sing | 1.36Å | 1.36Å | |
| C10 | O03 | sing | 1.43Å | 1.40Å | |
| C33 | C28 | sing | 1.47Å | 1.35Å | |
| C28 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| C28 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | O04 | sing | 1.36Å | 1.37Å | |
| O04 | C09 | sing | 1.43Å | 1.40Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| C07 | N01 | sing | 1.47Å | 1.45Å | |
| N01 | C02 | sing | 1.47Å | 1.46Å | |
| N01 | C06 | sing | 1.47Å | 1.47Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C09 | H23 | sing | 1.09Å | 1.10Å | |
| C09 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.08Å | 1.08Å | |
| C12 | H26 | sing | 1.08Å | 1.08Å | |
| C14 | H27 | sing | 1.08Å | 1.08Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.08Å | 1.08Å | |
| C19 | H31 | sing | 1.08Å | 1.08Å | |
| C23 | H32 | sing | 1.08Å | 1.08Å | |
| C27 | H33 | sing | 1.08Å | 1.08Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C35 | H40 | sing | 1.09Å | 1.10Å | |
| O05 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F03 | C01 | F02 | 106.9° | 109.5° |
| F03 | C01 | F01 | 109.3° | 109.5° |
| F03 | C01 | C16 | 108.2° | 109.5° |
| F02 | C01 | F01 | 110.0° | 109.5° |
| F02 | C01 | C16 | 111.8° | 109.4° |
| F01 | C01 | C16 | 110.5° | 109.4° |
| C01 | C16 | N02 | 115.9° | 109.5° |
| C01 | C16 | H28 | 107.8° | 109.4° |
| C01 | C16 | H29 | 107.8° | 109.4° |
| C16 | N02 | C17 | 120.9° | 120.0° |
| C16 | N02 | S01 | 119.5° | 120.0° |
| N02 | C16 | H28 | 107.9° | 109.5° |
| N02 | C16 | H29 | 107.9° | 109.5° |
| C22 | C21 | C20 | 119.6° | 120.1° |
| C21 | C22 | C29 | 120.7° | 119.9° |
| C22 | C21 | H5 | 120.2° | 119.9° |
| C21 | C22 | H6 | 119.7° | 120.1° |
| C21 | C20 | O05 | 119.8° | 119.9° |
| C21 | C20 | C19 | 120.2° | 120.2° |
| C20 | C21 | H5 | 120.2° | 119.9° |
| O05 | C20 | C19 | 120.0° | 119.9° |
| C20 | O05 | H42 | 109.5° | 114.0° |
| C22 | C29 | C31 | 118.7° | 120.1° |
| C22 | C29 | C18 | 119.4° | 119.8° |
| C29 | C22 | H6 | 119.7° | 120.1° |
| C20 | C19 | C18 | 120.2° | 120.1° |
| C20 | C19 | H31 | 119.8° | 119.9° |
| O06 | C30 | C32 | 100.3° | 101.1° |
| O06 | C30 | C31 | 100.5° | 100.7° |
| C30 | O06 | C34 | 96.3° | 97.0° |
| O06 | C30 | H34 | 116.0° | 115.9° |
| C32 | C30 | C31 | 108.5° | 105.1° |
| C30 | C32 | C35 | 101.3° | 101.9° |
| C32 | C30 | H34 | 114.6° | 115.7° |
| C30 | C32 | H36 | 111.5° | 110.9° |
| C30 | C32 | H37 | 111.5° | 110.9° |
| C30 | C31 | C29 | 123.4° | 127.0° |
| C30 | C31 | C33 | 106.1° | 106.0° |
| C31 | C30 | H34 | 115.1° | 116.2° |
| O06 | C34 | C35 | 98.4° | 101.1° |
| O06 | C34 | C33 | 102.6° | 100.7° |
| O06 | C34 | H39 | 116.2° | 116.5° |
| C17 | N02 | S01 | 119.3° | 120.0° |
| N02 | C17 | C15 | 122.5° | 120.0° |
| N02 | C17 | C11 | 116.9° | 120.0° |
| N02 | S01 | O02 | 105.7° | 104.2° |
| N02 | S01 | C35 | 115.3° | 104.4° |
| N02 | S01 | O01 | 108.8° | 104.3° |
| C32 | C35 | S01 | 110.4° | 110.9° |
| C32 | C35 | C34 | 102.0° | 102.0° |
| C35 | C32 | H36 | 111.5° | 111.0° |
| C35 | C32 | H37 | 111.5° | 111.0° |
| C32 | C35 | H40 | 111.5° | 110.9° |
| C31 | C29 | C18 | 121.9° | 120.1° |
| C29 | C31 | C33 | 130.5° | 127.1° |
| C29 | C18 | C19 | 119.9° | 119.9° |
| C29 | C18 | H30 | 120.1° | 120.1° |
| C17 | C15 | C14 | 119.4° | 120.0° |
| C15 | C17 | C11 | 120.6° | 120.0° |
| C17 | C15 | H4 | 120.3° | 120.0° |
| C15 | C14 | C13 | 120.2° | 120.0° |
| C14 | C15 | H4 | 120.3° | 120.0° |
| C15 | C14 | H27 | 119.9° | 120.0° |
| C19 | C18 | H30 | 120.1° | 120.1° |
| C18 | C19 | H31 | 119.9° | 120.0° |
| C31 | C33 | C34 | 104.8° | 106.0° |
| C31 | C33 | C28 | 127.2° | 127.0° |
| C17 | C11 | C12 | 119.8° | 120.0° |
| C17 | C11 | H25 | 120.1° | 120.1° |
| O02 | S01 | C35 | 106.2° | 110.5° |
| O02 | S01 | O01 | 113.2° | 121.0° |
| C14 | C13 | C12 | 120.1° | 120.0° |
| C14 | C13 | O03 | 121.0° | 120.0° |
| C13 | C14 | H27 | 119.9° | 120.0° |
| C35 | S01 | O01 | 107.8° | 110.6° |
| S01 | C35 | C34 | 112.8° | 110.9° |
| S01 | C35 | H40 | 108.4° | 110.9° |
| C11 | C12 | C13 | 119.8° | 120.0° |
| C12 | C11 | H25 | 120.1° | 120.0° |
| C11 | C12 | H26 | 120.1° | 120.0° |
| C35 | C34 | C33 | 107.5° | 105.1° |
| C35 | C34 | H39 | 114.8° | 115.6° |
| C34 | C35 | H40 | 111.7° | 110.9° |
| C34 | C33 | C28 | 124.0° | 127.1° |
| C33 | C34 | H39 | 115.2° | 115.6° |
| C12 | C13 | O03 | 118.9° | 120.0° |
| C13 | C12 | H26 | 120.1° | 120.0° |
| C13 | O03 | C10 | 111.3° | 117.0° |
| O03 | C10 | H1 | 109.5° | 109.5° |
| O03 | C10 | H2 | 109.5° | 109.5° |
| O03 | C10 | H3 | 109.4° | 109.4° |
| C33 | C28 | C27 | 120.4° | 120.1° |
| C33 | C28 | C23 | 120.5° | 120.1° |
| C27 | C28 | C23 | 119.1° | 119.8° |
| C28 | C27 | C26 | 120.3° | 119.9° |
| C28 | C27 | H33 | 119.8° | 120.1° |
| C28 | C23 | C24 | 120.5° | 119.9° |
| C28 | C23 | H32 | 119.7° | 120.0° |
| C27 | C26 | C25 | 120.8° | 120.1° |
| C27 | C26 | H8 | 119.6° | 119.9° |
| C26 | C27 | H33 | 119.9° | 120.1° |
| C23 | C24 | C25 | 120.2° | 120.1° |
| C23 | C24 | H7 | 119.9° | 120.0° |
| C24 | C23 | H32 | 119.7° | 120.0° |
| C26 | C25 | C24 | 119.1° | 120.2° |
| C26 | C25 | O04 | 119.2° | 119.9° |
| C25 | C26 | H8 | 119.6° | 120.0° |
| C24 | C25 | O04 | 121.7° | 119.9° |
| C25 | C24 | H7 | 119.9° | 119.9° |
| C25 | O04 | C09 | 113.4° | 117.0° |
| O04 | C09 | C08 | 110.1° | 109.5° |
| O04 | C09 | H23 | 109.3° | 109.5° |
| O04 | C09 | H24 | 109.3° | 109.4° |
| C09 | C08 | C07 | 110.5° | 109.4° |
| C09 | C08 | H21 | 109.2° | 109.5° |
| C09 | C08 | H22 | 109.2° | 109.5° |
| C08 | C09 | H23 | 109.3° | 109.5° |
| C08 | C09 | H24 | 109.3° | 109.5° |
| C08 | C07 | N01 | 110.7° | 109.5° |
| C08 | C07 | H19 | 109.2° | 109.5° |
| C08 | C07 | H20 | 109.2° | 109.5° |
| C07 | C08 | H21 | 109.2° | 109.5° |
| C07 | C08 | H22 | 109.2° | 109.5° |
| C07 | N01 | C02 | 109.5° | 111.0° |
| C07 | N01 | C06 | 108.7° | 111.0° |
| N01 | C07 | H19 | 109.2° | 109.5° |
| N01 | C07 | H20 | 109.2° | 109.5° |
| C02 | N01 | C06 | 111.5° | 111.2° |
| N01 | C02 | C03 | 111.6° | 109.5° |
| N01 | C02 | H9 | 108.9° | 109.5° |
| N01 | C02 | H10 | 109.0° | 109.5° |
| N01 | C06 | C05 | 111.9° | 109.5° |
| N01 | C06 | H17 | 108.9° | 109.5° |
| N01 | C06 | H18 | 108.8° | 109.4° |
| C02 | C03 | C04 | 112.4° | 109.3° |
| C03 | C02 | H9 | 109.0° | 109.4° |
| C03 | C02 | H10 | 108.9° | 109.5° |
| C02 | C03 | H11 | 108.7° | 109.5° |
| C02 | C03 | H12 | 108.7° | 109.5° |
| C06 | C05 | C04 | 111.8° | 109.3° |
| C06 | C05 | H15 | 108.9° | 109.5° |
| C06 | C05 | H16 | 108.9° | 109.6° |
| C05 | C06 | H17 | 108.9° | 109.5° |
| C05 | C06 | H18 | 108.8° | 109.4° |
| C03 | C04 | C05 | 111.0° | 109.2° |
| C04 | C03 | H11 | 108.8° | 109.5° |
| C04 | C03 | H12 | 108.7° | 109.6° |
| C03 | C04 | H13 | 109.1° | 109.6° |
| C03 | C04 | H14 | 109.1° | 109.5° |
| C05 | C04 | H13 | 109.1° | 109.5° |
| C05 | C04 | H14 | 109.1° | 109.6° |
| C04 | C05 | H15 | 108.9° | 109.5° |
| C04 | C05 | H16 | 108.9° | 109.5° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H1 | C10 | H3 | 109.4° | 109.4° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H9 | C02 | H10 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H13 | C04 | H14 | 109.4° | 109.5° |
| H15 | C05 | H16 | 109.5° | 109.5° |
| H17 | C06 | H18 | 109.5° | 109.5° |
| H19 | C07 | H20 | 109.4° | 109.4° |
| H21 | C08 | H22 | 109.5° | 109.4° |
| H23 | C09 | H24 | 109.5° | 109.5° |
| H28 | C16 | H29 | 109.5° | 109.5° |
| H36 | C32 | H37 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F03 | C01 | F02 | F01 | 118.6° | 120.1° |
| F03 | C01 | F02 | C16 | 118.3° | 120.0° |
| F03 | C01 | F01 | C16 | 119.0° | 120.0° |
| F03 | C01 | C16 | N02 | 176.5° | 178.9° |
| F03 | C01 | C16 | H28 | 62.5° | 61.1° |
| F03 | C01 | C16 | H29 | 55.6° | 58.8° |
| F02 | C01 | F01 | C16 | 123.9° | 119.9° |
| F02 | C01 | C16 | N02 | 59.0° | 58.9° |
| F02 | C01 | C16 | H28 | 180.0° | 178.9° |
| F02 | C01 | C16 | H29 | 61.9° | 61.1° |
| F01 | C01 | C16 | N02 | 63.9° | 61.1° |
| F01 | C01 | C16 | H28 | 57.1° | 58.9° |
| F01 | C01 | C16 | H29 | 175.2° | 178.9° |
| C01 | C16 | N02 | H28 | 120.9° | 120.0° |
| C01 | C16 | N02 | H29 | 120.9° | 120.0° |
| C01 | C16 | N02 | C17 | 73.8° | 67.7° |
| C01 | C16 | N02 | S01 | 112.6° | 112.4° |
| C01 | C16 | H28 | H29 | 117.1° | 119.9° |
| C16 | N02 | C17 | S01 | 173.6° | 180.0° |
| C16 | N02 | C17 | C15 | 80.0° | 70.3° |
| C16 | N02 | C17 | C11 | 99.3° | 109.5° |
| C16 | N02 | S01 | O02 | 18.9° | 33.1° |
| C16 | N02 | S01 | C35 | 98.0° | 83.0° |
| C16 | N02 | S01 | O01 | 140.8° | 160.9° |
| N02 | C16 | H28 | H29 | 117.1° | 120.0° |
| C22 | C21 | C20 | H5 | 180.0° | 179.9° |
| C22 | C21 | C20 | O05 | 179.9° | 179.7° |
| C21 | C22 | C29 | H6 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.8° | 0.0° |
| C21 | C22 | C29 | C31 | 179.6° | 180.0° |
| C21 | C22 | C29 | C18 | 1.2° | 0.0° |
| C21 | C20 | O05 | C19 | 179.3° | 179.7° |
| C20 | C21 | C22 | C29 | 1.1° | 0.0° |
| C21 | C20 | C19 | C18 | 0.7° | 0.0° |
| C20 | C21 | C22 | H6 | 178.9° | 180.0° |
| C21 | C20 | C19 | H31 | 179.4° | 180.0° |
| C21 | C20 | O05 | H42 | 180.0° | 89.7° |
| O05 | C20 | C19 | C18 | 180.0° | 179.7° |
| O05 | C20 | C21 | H5 | 0.1° | 0.4° |
| O05 | C20 | C19 | H31 | 0.0° | 0.3° |
| C22 | C29 | C31 | C30 | 18.9° | 115.0° |
| C22 | C29 | C31 | C18 | 178.3° | 180.0° |
| C22 | C29 | C18 | C19 | 1.1° | 0.0° |
| C22 | C29 | C31 | C33 | 160.0° | 64.9° |
| C29 | C22 | C21 | H5 | 178.9° | 180.0° |
| C22 | C29 | C18 | H30 | 178.9° | 180.0° |
| C20 | C19 | C18 | C29 | 0.8° | 0.0° |
| C20 | C19 | C18 | H31 | 180.0° | 180.0° |
| C19 | C20 | C21 | H5 | 179.2° | 180.0° |
| C20 | C19 | C18 | H30 | 179.2° | 180.0° |
| C19 | C20 | O05 | H42 | 0.7° | 89.9° |
| O06 | C30 | C32 | C31 | 104.9° | 104.4° |
| O06 | C30 | C32 | H34 | 125.0° | 126.0° |
| O06 | C30 | C31 | H34 | 125.4° | 126.1° |
| O06 | C30 | C32 | C35 | 33.5° | 34.8° |
| O06 | C30 | C31 | C29 | 144.0° | 147.8° |
| O06 | C30 | C31 | C33 | 36.8° | 32.1° |
| C30 | O06 | C34 | C35 | 61.4° | 57.3° |
| C30 | O06 | C34 | C33 | 48.8° | 50.6° |
| O06 | C30 | C32 | H36 | 152.2° | 152.9° |
| O06 | C30 | C32 | H37 | 85.1° | 83.4° |
| C30 | O06 | C34 | H39 | 175.5° | 176.5° |
| C32 | C30 | C31 | H34 | 129.9° | 129.3° |
| C32 | C30 | O06 | C34 | 59.7° | 57.3° |
| C30 | C32 | C35 | H36 | 118.7° | 118.1° |
| C30 | C32 | C35 | H37 | 118.7° | 118.1° |
| C32 | C30 | C31 | C29 | 111.2° | 107.5° |
| C32 | C30 | C31 | C33 | 67.9° | 72.5° |
| C30 | C32 | C35 | S01 | 116.7° | 118.2° |
| C30 | C32 | C35 | C34 | 3.5° | 0.0° |
| C30 | C32 | H36 | H37 | 123.8° | 123.6° |
| C30 | C32 | C35 | H40 | 122.7° | 118.2° |
| C31 | C30 | O06 | C34 | 51.5° | 50.5° |
| C31 | C30 | C32 | C35 | 71.3° | 69.6° |
| C30 | C31 | C29 | C33 | 178.9° | 179.9° |
| C30 | C31 | C29 | C18 | 159.4° | 65.0° |
| C30 | C31 | C33 | C34 | 5.6° | 0.0° |
| C30 | C31 | C33 | C28 | 152.6° | 180.0° |
| C31 | C30 | C32 | H36 | 47.3° | 48.6° |
| C31 | C30 | C32 | H37 | 170.0° | 172.2° |
| O06 | C34 | C35 | C32 | 39.2° | 34.8° |
| O06 | C34 | C33 | C31 | 27.5° | 32.2° |
| O06 | C34 | C35 | S01 | 79.2° | 83.4° |
| O06 | C34 | C35 | C33 | 106.2° | 104.4° |
| O06 | C34 | C35 | H39 | 124.1° | 126.8° |
| O06 | C34 | C33 | H39 | 127.4° | 126.5° |
| O06 | C34 | C33 | C28 | 173.4° | 147.8° |
| C34 | O06 | C30 | H34 | 176.3° | 176.8° |
| O06 | C34 | C35 | H40 | 158.3° | 153.0° |
| N02 | C17 | C15 | C11 | 179.3° | 179.8° |
| N02 | C17 | C15 | C14 | 179.7° | 179.9° |
| C17 | N02 | S01 | O02 | 154.8° | 147.0° |
| C17 | N02 | S01 | C35 | 88.3° | 97.0° |
| C17 | N02 | S01 | O01 | 32.9° | 19.1° |
| N02 | C17 | C11 | C12 | 179.9° | 179.6° |
| N02 | C17 | C15 | H4 | 0.3° | 0.3° |
| N02 | C17 | C11 | H25 | 0.0° | 0.3° |
| C17 | N02 | C16 | H28 | 165.3° | 52.3° |
| C17 | N02 | C16 | H29 | 47.2° | 172.4° |
| N02 | S01 | C35 | C32 | 75.2° | 62.9° |
| S01 | N02 | C17 | C15 | 106.4° | 109.7° |
| S01 | N02 | C17 | C11 | 74.3° | 70.6° |
| N02 | S01 | O02 | C35 | 123.0° | 111.7° |
| N02 | S01 | O02 | O01 | 119.0° | 116.8° |
| N02 | S01 | C35 | O01 | 121.7° | 111.7° |
| N02 | S01 | C35 | C34 | 38.2° | 175.4° |
| S01 | N02 | C16 | H28 | 8.3° | 127.7° |
| S01 | N02 | C16 | H29 | 126.4° | 7.6° |
| N02 | S01 | C35 | H40 | 162.4° | 60.8° |
| C32 | C35 | S01 | O02 | 41.5° | 174.4° |
| C32 | C35 | S01 | C34 | 113.4° | 112.6° |
| C32 | C35 | S01 | H40 | 122.4° | 123.7° |
| C32 | C35 | S01 | O01 | 163.1° | 48.8° |
| C32 | C35 | C34 | H40 | 119.1° | 118.2° |
| C32 | C35 | C34 | C33 | 67.0° | 69.6° |
| C35 | C32 | C30 | H34 | 158.5° | 160.8° |
| C35 | C32 | H36 | H37 | 123.8° | 123.8° |
| C32 | C35 | C34 | H39 | 163.4° | 161.6° |
| C31 | C29 | C18 | C19 | 179.4° | 180.0° |
| C29 | C31 | C33 | C34 | 175.3° | 180.0° |
| C29 | C31 | C33 | C28 | 26.5° | 0.1° |
| C31 | C29 | C22 | H6 | 0.4° | 0.0° |
| C31 | C29 | C18 | H30 | 0.6° | 0.0° |
| C29 | C31 | C30 | H34 | 18.6° | 21.7° |
| C29 | C18 | C19 | H30 | 180.0° | 180.0° |
| C18 | C29 | C31 | C33 | 21.6° | 115.1° |
| C18 | C29 | C22 | H6 | 178.8° | 180.0° |
| C29 | C18 | C19 | H31 | 179.2° | 180.0° |
| C17 | C15 | C14 | H4 | 180.0° | 179.7° |
| C17 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C17 | C11 | C12 | 0.6° | 0.6° |
| C15 | C17 | C11 | H25 | 179.4° | 180.0° |
| C17 | C15 | C14 | H27 | 179.9° | 180.0° |
| C14 | C15 | C17 | C11 | 0.4° | 0.3° |
| C15 | C14 | C13 | H27 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.0° | 0.0° |
| C15 | C14 | C13 | O03 | 179.9° | 179.7° |
| C31 | C33 | C34 | C35 | 75.7° | 72.5° |
| C31 | C33 | C34 | C28 | 159.1° | 180.0° |
| C31 | C33 | C28 | C27 | 33.1° | 65.1° |
| C31 | C33 | C28 | C23 | 147.0° | 114.3° |
| C33 | C31 | C30 | H34 | 162.2° | 158.2° |
| C31 | C33 | C34 | H39 | 154.8° | 158.7° |
| C17 | C11 | C12 | H25 | 180.0° | 179.4° |
| C17 | C11 | C12 | C13 | 0.5° | 0.6° |
| C11 | C17 | C15 | H4 | 179.5° | 180.0° |
| C17 | C11 | C12 | H26 | 179.5° | 179.5° |
| O02 | S01 | C35 | O01 | 121.6° | 136.8° |
| O02 | S01 | C35 | C34 | 154.9° | 73.0° |
| O02 | S01 | C35 | H40 | 80.9° | 50.7° |
| C14 | C13 | C12 | C11 | 0.2° | 0.3° |
| C14 | C13 | C12 | O03 | 179.9° | 179.7° |
| C14 | C13 | O03 | C10 | 2.8° | 0.3° |
| C13 | C14 | C15 | H4 | 179.9° | 179.7° |
| C14 | C13 | C12 | H26 | 179.8° | 179.8° |
| S01 | C35 | C34 | H40 | 122.4° | 123.7° |
| S01 | C35 | C34 | C33 | 174.6° | 172.2° |
| S01 | C35 | C32 | H36 | 124.6° | 123.7° |
| S01 | C35 | C32 | H37 | 2.0° | 0.0° |
| S01 | C35 | C34 | H39 | 44.9° | 43.4° |
| O01 | S01 | C35 | C34 | 83.5° | 63.8° |
| O01 | S01 | C35 | H40 | 40.7° | 172.5° |
| C11 | C12 | C13 | H26 | 180.0° | 179.9° |
| C11 | C12 | C13 | O03 | 179.7° | 180.0° |
| C35 | C34 | C33 | H39 | 129.4° | 128.8° |
| C35 | C34 | C33 | C28 | 83.4° | 107.5° |
| C34 | C35 | C32 | H36 | 115.2° | 118.1° |
| C34 | C35 | C32 | H37 | 122.2° | 118.1° |
| C34 | C33 | C28 | C27 | 121.2° | 114.9° |
| C34 | C33 | C28 | C23 | 58.7° | 65.8° |
| C33 | C34 | C35 | H40 | 52.2° | 48.6° |
| C12 | C13 | O03 | C10 | 177.1° | 180.0° |
| C13 | C12 | C11 | H25 | 179.5° | 180.0° |
| C12 | C13 | C14 | H27 | 180.0° | 180.0° |
| C13 | O03 | C10 | H1 | 180.0° | 180.0° |
| C13 | O03 | C10 | H2 | 60.0° | 60.0° |
| C13 | O03 | C10 | H3 | 60.0° | 60.0° |
| O03 | C13 | C12 | H26 | 0.3° | 0.1° |
| O03 | C13 | C14 | H27 | 0.1° | 0.3° |
| O03 | C10 | H1 | H2 | 120.0° | 120.1° |
| O03 | C10 | H1 | H3 | 120.0° | 119.9° |
| O03 | C10 | H2 | H3 | 120.0° | 120.0° |
| C33 | C28 | C27 | C23 | 179.9° | 179.3° |
| C33 | C28 | C27 | C26 | 179.7° | 180.0° |
| C33 | C28 | C23 | C24 | 179.8° | 179.8° |
| C33 | C28 | C23 | H32 | 0.2° | 0.2° |
| C33 | C28 | C27 | H33 | 0.3° | 0.7° |
| C28 | C33 | C34 | H39 | 46.1° | 21.3° |
| C28 | C27 | C26 | H33 | 180.0° | 179.3° |
| C27 | C28 | C23 | C24 | 0.4° | 0.5° |
| C28 | C27 | C26 | C25 | 0.2° | 0.4° |
| C28 | C27 | C26 | H8 | 179.8° | 179.5° |
| C27 | C28 | C23 | H32 | 179.6° | 179.5° |
| C23 | C28 | C27 | C26 | 0.4° | 0.7° |
| C28 | C23 | C24 | H32 | 180.0° | 180.0° |
| C28 | C23 | C24 | C25 | 0.2° | 0.0° |
| C28 | C23 | C24 | H7 | 179.8° | 179.8° |
| C23 | C28 | C27 | H33 | 179.6° | 180.0° |
| C27 | C26 | C25 | H8 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 0.0° | 0.0° |
| C27 | C26 | C25 | O04 | 179.7° | 179.9° |
| C23 | C24 | C25 | C26 | 0.0° | 0.2° |
| C23 | C24 | C25 | H7 | 180.0° | 179.8° |
| C23 | C24 | C25 | O04 | 179.7° | 179.8° |
| C26 | C25 | C24 | O04 | 179.7° | 180.0° |
| C26 | C25 | O04 | C09 | 163.5° | 0.0° |
| C26 | C25 | C24 | H7 | 180.0° | 180.0° |
| C25 | C26 | C27 | H33 | 179.8° | 179.7° |
| C24 | C25 | O04 | C09 | 16.8° | 179.9° |
| C24 | C25 | C26 | H8 | 180.0° | 179.9° |
| C25 | C24 | C23 | H32 | 179.8° | 180.0° |
| C25 | O04 | C09 | C08 | 174.5° | 180.0° |
| O04 | C25 | C24 | H7 | 0.3° | 0.1° |
| O04 | C25 | C26 | H8 | 0.3° | 0.1° |
| C25 | O04 | C09 | H23 | 54.5° | 59.9° |
| C25 | O04 | C09 | H24 | 65.4° | 60.1° |
| O04 | C09 | C08 | H23 | 120.1° | 120.1° |
| O04 | C09 | C08 | H24 | 120.1° | 119.9° |
| O04 | C09 | C08 | C07 | 30.3° | 180.0° |
| O04 | C09 | C08 | H21 | 89.8° | 60.0° |
| O04 | C09 | C08 | H22 | 150.5° | 60.0° |
| O04 | C09 | H23 | H24 | 119.8° | 119.9° |
| C09 | C08 | C07 | H21 | 120.1° | 120.0° |
| C09 | C08 | C07 | H22 | 120.2° | 120.0° |
| C09 | C08 | C07 | N01 | 160.4° | 180.0° |
| C09 | C08 | C07 | H19 | 40.2° | 60.0° |
| C09 | C08 | C07 | H20 | 79.4° | 60.0° |
| C09 | C08 | H21 | H22 | 119.5° | 120.0° |
| C08 | C09 | H23 | H24 | 119.7° | 120.0° |
| C08 | C07 | N01 | H19 | 120.2° | 120.1° |
| C08 | C07 | N01 | H20 | 120.2° | 120.0° |
| C08 | C07 | N01 | C02 | 97.7° | 170.0° |
| C08 | C07 | N01 | C06 | 24.3° | 65.8° |
| C08 | C07 | H19 | H20 | 119.5° | 120.0° |
| C07 | C08 | H21 | H22 | 119.5° | 120.0° |
| C07 | C08 | C09 | H23 | 150.4° | 60.0° |
| C07 | C08 | C09 | H24 | 89.8° | 60.0° |
| C07 | N01 | C02 | C06 | 120.4° | 124.1° |
| C07 | N01 | C02 | C03 | 179.0° | 174.2° |
| C07 | N01 | C06 | C05 | 176.4° | 174.2° |
| C07 | N01 | C02 | H9 | 58.6° | 65.9° |
| C07 | N01 | C02 | H10 | 60.7° | 54.1° |
| C07 | N01 | C06 | H17 | 56.0° | 54.2° |
| C07 | N01 | C06 | H18 | 63.2° | 65.8° |
| N01 | C07 | H19 | H20 | 119.4° | 120.0° |
| N01 | C07 | C08 | H21 | 79.4° | 60.0° |
| N01 | C07 | C08 | H22 | 40.3° | 60.0° |
| N01 | C02 | C03 | H9 | 120.3° | 120.0° |
| N01 | C02 | C03 | H10 | 120.3° | 120.0° |
| C02 | N01 | C06 | C05 | 55.6° | 61.7° |
| N01 | C02 | C03 | C04 | 7.6° | 59.1° |
| N01 | C02 | H9 | H10 | 119.0° | 120.0° |
| N01 | C02 | C03 | H11 | 112.8° | 60.8° |
| N01 | C02 | C03 | H12 | 128.0° | 179.2° |
| C02 | N01 | C06 | H17 | 64.8° | 178.2° |
| C02 | N01 | C06 | H18 | 175.9° | 58.2° |
| C02 | N01 | C07 | H19 | 142.1° | 49.9° |
| C02 | N01 | C07 | H20 | 22.5° | 70.0° |
| C06 | N01 | C02 | C03 | 60.7° | 61.7° |
| N01 | C06 | C05 | H17 | 120.4° | 120.0° |
| N01 | C06 | C05 | H18 | 120.4° | 120.0° |
| N01 | C06 | C05 | C04 | 1.3° | 59.1° |
| C06 | N01 | C02 | H9 | 179.0° | 58.2° |
| C06 | N01 | C02 | H10 | 59.6° | 178.3° |
| N01 | C06 | C05 | H15 | 119.0° | 60.8° |
| N01 | C06 | C05 | H16 | 121.7° | 179.2° |
| N01 | C06 | H17 | H18 | 118.9° | 120.0° |
| C06 | N01 | C07 | H19 | 95.9° | 174.2° |
| C06 | N01 | C07 | H20 | 144.5° | 54.2° |
| C02 | C03 | C04 | H11 | 120.4° | 119.9° |
| C02 | C03 | C04 | H12 | 120.4° | 120.0° |
| C02 | C03 | C04 | C05 | 46.9° | 57.6° |
| C03 | C02 | H9 | H10 | 119.0° | 119.9° |
| C02 | C03 | H11 | H12 | 118.7° | 120.1° |
| C02 | C03 | C04 | H13 | 73.3° | 177.5° |
| C02 | C03 | C04 | H14 | 167.2° | 62.3° |
| C06 | C05 | C04 | C03 | 51.6° | 57.6° |
| C06 | C05 | C04 | H15 | 120.3° | 119.9° |
| C06 | C05 | C04 | H16 | 120.3° | 120.0° |
| C06 | C05 | C04 | H13 | 68.6° | 177.6° |
| C06 | C05 | C04 | H14 | 171.9° | 62.3° |
| C06 | C05 | H15 | H16 | 119.0° | 120.1° |
| C05 | C06 | H17 | H18 | 118.9° | 120.0° |
| C03 | C04 | C05 | H13 | 120.3° | 120.0° |
| C03 | C04 | C05 | H14 | 120.3° | 119.9° |
| C04 | C03 | C02 | H9 | 127.9° | 60.9° |
| C04 | C03 | C02 | H10 | 112.7° | 179.2° |
| C04 | C03 | H11 | H12 | 118.7° | 120.1° |
| C03 | C04 | H13 | H14 | 119.3° | 120.1° |
| C03 | C04 | C05 | H15 | 68.7° | 62.3° |
| C03 | C04 | C05 | H16 | 172.0° | 177.6° |
| C05 | C04 | C03 | H11 | 167.3° | 62.3° |
| C05 | C04 | C03 | H12 | 73.5° | 177.6° |
| C05 | C04 | H13 | H14 | 119.3° | 120.1° |
| C04 | C05 | H15 | H16 | 118.9° | 120.1° |
| C04 | C05 | C06 | H17 | 121.7° | 179.2° |
| C04 | C05 | C06 | H18 | 119.0° | 60.8° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H4 | C15 | C14 | H27 | 0.1° | 0.4° |
| H5 | C21 | C22 | H6 | 1.0° | 0.1° |
| H7 | C24 | C23 | H32 | 0.2° | 0.2° |
| H8 | C26 | C27 | H33 | 0.2° | 0.2° |
| H9 | C02 | C03 | H11 | 7.5° | 179.2° |
| H9 | C02 | C03 | H12 | 111.7° | 59.2° |
| H10 | C02 | C03 | H11 | 126.9° | 59.3° |
| H10 | C02 | C03 | H12 | 7.7° | 60.8° |
| H11 | C03 | C04 | H13 | 47.1° | 57.6° |
| H11 | C03 | C04 | H14 | 72.4° | 177.8° |
| H12 | C03 | C04 | H13 | 166.3° | 62.5° |
| H12 | C03 | C04 | H14 | 46.8° | 57.7° |
| H13 | C04 | C05 | H15 | 171.0° | 57.7° |
| H13 | C04 | C05 | H16 | 51.7° | 62.4° |
| H14 | C04 | C05 | H15 | 51.5° | 177.8° |
| H14 | C04 | C05 | H16 | 67.8° | 57.7° |
| H15 | C05 | C06 | H17 | 1.4° | 59.3° |
| H15 | C05 | C06 | H18 | 120.6° | 179.3° |
| H16 | C05 | C06 | H17 | 118.0° | 60.8° |
| H16 | C05 | C06 | H18 | 1.3° | 59.2° |
| H19 | C07 | C08 | H21 | 160.4° | 60.0° |
| H19 | C07 | C08 | H22 | 79.9° | 180.0° |
| H20 | C07 | C08 | H21 | 40.8° | 180.0° |
| H20 | C07 | C08 | H22 | 160.5° | 60.0° |
| H21 | C08 | C09 | H23 | 30.3° | 180.0° |
| H21 | C08 | C09 | H24 | 150.1° | 59.9° |
| H22 | C08 | C09 | H23 | 89.4° | 60.0° |
| H22 | C08 | C09 | H24 | 30.4° | 179.9° |
| H25 | C11 | C12 | H26 | 0.5° | 0.1° |
| H30 | C18 | C19 | H31 | 0.8° | 0.0° |
| H34 | C30 | C32 | H36 | 82.8° | 81.0° |
| H34 | C30 | C32 | H37 | 39.8° | 42.6° |
| H36 | C32 | C35 | H40 | 4.1° | 0.0° |
| H37 | C32 | C35 | H40 | 118.6° | 123.7° |
| H39 | C34 | C35 | H40 | 77.5° | 80.2° |
