7EI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F02 | C08 | sing | 1.40Å | 1.30Å | |
| F01 | C08 | sing | 1.40Å | 1.32Å | |
| C08 | F03 | sing | 1.40Å | 1.29Å | |
| C08 | C06 | sing | 1.53Å | 1.50Å | |
| C06 | N01 | sing | 1.46Å | 1.52Å | |
| C04 | C03 | doub | 1.38Å | 1.34Å | Aromatic |
| C04 | C23 | sing | 1.39Å | 1.34Å | Aromatic |
| O06 | C23 | sing | 1.36Å | 1.34Å | |
| C03 | C11 | sing | 1.40Å | 1.37Å | Aromatic |
| C23 | C10 | doub | 1.39Å | 1.34Å | Aromatic |
| C19 | C14 | sing | 1.56Å | 1.53Å | |
| C19 | C26 | sing | 1.55Å | 1.55Å | |
| C21 | C13 | doub | 1.39Å | 1.34Å | Aromatic |
| C21 | C28 | sing | 1.38Å | 1.34Å | Aromatic |
| N01 | C13 | sing | 1.40Å | 1.29Å | |
| N01 | S01 | sing | 1.66Å | 1.72Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | O05 | sing | 1.47Å | 1.41Å | |
| C13 | C12 | sing | 1.39Å | 1.36Å | Aromatic |
| C28 | C09 | doub | 1.39Å | 1.34Å | Aromatic |
| C11 | C15 | sing | 1.47Å | 1.35Å | |
| C11 | C30 | doub | 1.40Å | 1.36Å | Aromatic |
| C10 | C30 | sing | 1.38Å | 1.36Å | Aromatic |
| O02 | S01 | doub | 1.42Å | 1.46Å | |
| C12 | C24 | doub | 1.38Å | 1.36Å | Aromatic |
| C09 | O01 | sing | 1.36Å | 1.38Å | |
| C09 | C24 | sing | 1.39Å | 1.35Å | Aromatic |
| C15 | C01 | doub | 1.36Å | 1.36Å | |
| O01 | C05 | sing | 1.43Å | 1.41Å | |
| C26 | S01 | sing | 1.81Å | 1.77Å | |
| C26 | C02 | sing | 1.56Å | 1.53Å | |
| S01 | O04 | doub | 1.42Å | 1.48Å | |
| O05 | C02 | sing | 1.47Å | 1.41Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C01 | C22 | sing | 1.47Å | 1.35Å | |
| C22 | C17 | doub | 1.40Å | 1.36Å | Aromatic |
| C22 | C34 | sing | 1.40Å | 1.35Å | Aromatic |
| C17 | C20 | sing | 1.38Å | 1.34Å | Aromatic |
| C34 | C31 | doub | 1.38Å | 1.33Å | Aromatic |
| C20 | C16 | doub | 1.39Å | 1.35Å | Aromatic |
| C31 | C16 | sing | 1.39Å | 1.36Å | Aromatic |
| C16 | O03 | sing | 1.36Å | 1.37Å | |
| O03 | C29 | sing | 1.43Å | 1.39Å | |
| C29 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | N02 | sing | 1.47Å | 1.46Å | |
| C27 | N02 | sing | 1.47Å | 1.47Å | |
| C27 | C07 | sing | 1.53Å | 1.54Å | |
| N02 | C33 | sing | 1.47Å | 1.46Å | |
| C07 | C18 | sing | 1.53Å | 1.54Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C18 | C32 | sing | 1.53Å | 1.53Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.08Å | 1.08Å | |
| C31 | H34 | sing | 1.08Å | 1.08Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| O06 | H37 | sing | 0.97Å | 0.95Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F02 | C08 | F01 | 106.0° | 109.5° |
| F02 | C08 | F03 | 105.2° | 109.4° |
| F02 | C08 | C06 | 111.7° | 109.5° |
| F01 | C08 | F03 | 104.5° | 109.5° |
| F01 | C08 | C06 | 115.1° | 109.5° |
| F03 | C08 | C06 | 113.4° | 109.5° |
| C08 | C06 | N01 | 117.5° | 109.5° |
| C08 | C06 | H16 | 107.4° | 109.5° |
| C08 | C06 | H17 | 107.4° | 109.5° |
| C06 | N01 | C13 | 117.6° | 120.0° |
| C06 | N01 | S01 | 121.5° | 120.0° |
| N01 | C06 | H16 | 107.4° | 109.4° |
| N01 | C06 | H17 | 107.4° | 109.5° |
| C03 | C04 | C23 | 122.0° | 120.1° |
| C04 | C03 | C11 | 122.2° | 119.9° |
| C04 | C03 | H11 | 118.9° | 120.0° |
| C03 | C04 | H12 | 119.0° | 119.9° |
| C04 | C23 | O06 | 120.5° | 119.9° |
| C04 | C23 | C10 | 117.5° | 120.2° |
| C23 | C04 | H12 | 119.0° | 119.9° |
| O06 | C23 | C10 | 122.0° | 119.9° |
| C23 | O06 | H37 | 109.5° | 114.0° |
| C03 | C11 | C15 | 121.6° | 120.1° |
| C03 | C11 | C30 | 114.7° | 119.8° |
| C11 | C03 | H11 | 118.9° | 120.0° |
| C23 | C10 | C30 | 120.6° | 120.1° |
| C23 | C10 | H1 | 119.7° | 119.9° |
| C14 | C19 | C26 | 100.8° | 101.8° |
| C19 | C14 | C15 | 104.2° | 105.1° |
| C19 | C14 | O05 | 101.5° | 101.4° |
| C19 | C14 | H21 | 114.1° | 116.3° |
| C14 | C19 | H24 | 111.6° | 110.9° |
| C14 | C19 | H25 | 111.6° | 110.9° |
| C19 | C26 | S01 | 113.0° | 111.1° |
| C19 | C26 | C02 | 99.5° | 102.2° |
| C19 | C26 | H7 | 109.8° | 110.6° |
| C26 | C19 | H24 | 111.6° | 111.3° |
| C26 | C19 | H25 | 111.6° | 110.8° |
| C13 | C21 | C28 | 123.1° | 119.9° |
| C21 | C13 | N01 | 124.3° | 120.0° |
| C21 | C13 | C12 | 114.1° | 120.0° |
| C13 | C21 | H5 | 118.4° | 120.1° |
| C21 | C28 | C09 | 123.3° | 120.1° |
| C28 | C21 | H5 | 118.4° | 120.0° |
| C21 | C28 | H8 | 118.4° | 120.0° |
| C13 | N01 | S01 | 120.6° | 120.0° |
| N01 | C13 | C12 | 121.6° | 120.0° |
| N01 | S01 | O02 | 98.5° | 104.3° |
| N01 | S01 | C26 | 108.1° | 104.5° |
| N01 | S01 | O04 | 100.7° | 104.3° |
| C15 | C14 | O05 | 105.6° | 100.5° |
| C14 | C15 | C11 | 123.2° | 127.0° |
| C14 | C15 | C01 | 102.3° | 105.9° |
| C15 | C14 | H21 | 113.8° | 115.6° |
| C14 | O05 | C02 | 95.5° | 96.9° |
| O05 | C14 | H21 | 116.2° | 115.8° |
| C13 | C12 | C24 | 123.0° | 120.0° |
| C13 | C12 | H20 | 118.5° | 120.0° |
| C28 | C09 | O01 | 117.1° | 120.0° |
| C28 | C09 | C24 | 114.5° | 120.0° |
| C09 | C28 | H8 | 118.3° | 120.0° |
| C15 | C11 | C30 | 123.7° | 120.1° |
| C11 | C15 | C01 | 132.8° | 127.1° |
| C11 | C30 | C10 | 123.0° | 119.9° |
| C11 | C30 | H33 | 118.5° | 120.1° |
| C30 | C10 | H1 | 119.7° | 119.9° |
| C10 | C30 | H33 | 118.5° | 120.1° |
| O02 | S01 | C26 | 113.4° | 110.5° |
| O02 | S01 | O04 | 121.3° | 121.0° |
| C12 | C24 | C09 | 122.0° | 120.0° |
| C12 | C24 | H6 | 119.0° | 120.0° |
| C24 | C12 | H20 | 118.5° | 120.0° |
| O01 | C09 | C24 | 128.4° | 120.0° |
| C09 | O01 | C05 | 121.0° | 117.0° |
| C09 | C24 | H6 | 119.0° | 120.0° |
| C15 | C01 | C02 | 104.9° | 106.0° |
| C15 | C01 | C22 | 137.3° | 127.0° |
| O01 | C05 | H13 | 109.5° | 109.5° |
| O01 | C05 | H14 | 109.5° | 109.5° |
| O01 | C05 | H15 | 109.5° | 109.5° |
| S01 | C26 | C02 | 117.0° | 110.9° |
| C26 | S01 | O04 | 112.1° | 110.5° |
| S01 | C26 | H7 | 107.3° | 110.8° |
| C26 | C02 | O05 | 102.4° | 101.1° |
| C26 | C02 | C01 | 105.6° | 105.1° |
| C02 | C26 | H7 | 110.1° | 110.9° |
| C26 | C02 | H10 | 113.9° | 115.6° |
| O05 | C02 | C01 | 104.0° | 100.7° |
| O05 | C02 | H10 | 116.0° | 116.5° |
| C02 | C01 | C22 | 115.5° | 127.1° |
| C01 | C02 | H10 | 113.7° | 115.6° |
| C01 | C22 | C17 | 120.0° | 120.1° |
| C01 | C22 | C34 | 122.6° | 120.0° |
| C17 | C22 | C34 | 117.3° | 119.8° |
| C22 | C17 | C20 | 121.2° | 119.9° |
| C22 | C17 | H3 | 119.4° | 120.1° |
| C22 | C34 | C31 | 121.4° | 119.9° |
| C22 | C34 | H40 | 119.3° | 120.1° |
| C17 | C20 | C16 | 121.5° | 120.1° |
| C20 | C17 | H3 | 119.4° | 120.1° |
| C17 | C20 | H4 | 119.2° | 120.0° |
| C34 | C31 | C16 | 121.9° | 120.1° |
| C34 | C31 | H34 | 119.1° | 119.9° |
| C31 | C34 | H40 | 119.3° | 120.1° |
| C20 | C16 | C31 | 116.7° | 120.2° |
| C20 | C16 | O03 | 117.6° | 119.9° |
| C16 | C20 | H4 | 119.2° | 119.9° |
| C31 | C16 | O03 | 125.7° | 119.9° |
| C16 | C31 | H34 | 119.0° | 120.0° |
| C16 | O03 | C29 | 118.6° | 116.9° |
| O03 | C29 | C25 | 109.6° | 109.4° |
| O03 | C29 | H31 | 109.4° | 109.5° |
| O03 | C29 | H32 | 109.4° | 109.5° |
| C29 | C25 | N02 | 112.6° | 109.5° |
| C29 | C25 | H26 | 108.7° | 109.5° |
| C29 | C25 | H27 | 108.7° | 109.4° |
| C25 | C29 | H31 | 109.5° | 109.5° |
| C25 | C29 | H32 | 109.5° | 109.4° |
| C25 | N02 | C27 | 116.1° | 111.0° |
| C25 | N02 | C33 | 108.5° | 111.0° |
| N02 | C25 | H26 | 108.7° | 109.5° |
| N02 | C25 | H27 | 108.7° | 109.5° |
| N02 | C27 | C07 | 110.4° | 109.5° |
| C27 | N02 | C33 | 110.6° | 111.2° |
| N02 | C27 | H29 | 109.2° | 109.5° |
| N02 | C27 | H30 | 109.2° | 109.5° |
| C27 | C07 | C18 | 112.3° | 109.3° |
| C27 | C07 | H18 | 108.8° | 109.5° |
| C27 | C07 | H19 | 108.8° | 109.5° |
| C07 | C27 | H29 | 109.2° | 109.5° |
| C07 | C27 | H30 | 109.2° | 109.5° |
| N02 | C33 | C32 | 110.7° | 109.5° |
| N02 | C33 | H38 | 109.1° | 109.5° |
| N02 | C33 | H39 | 109.1° | 109.4° |
| C07 | C18 | C32 | 108.8° | 109.2° |
| C18 | C07 | H18 | 108.8° | 109.5° |
| C18 | C07 | H19 | 108.7° | 109.5° |
| C07 | C18 | H22 | 109.6° | 109.6° |
| C07 | C18 | H23 | 109.7° | 109.5° |
| C33 | C32 | C18 | 107.8° | 109.3° |
| C33 | C32 | H35 | 109.9° | 109.5° |
| C33 | C32 | H36 | 109.9° | 109.5° |
| C32 | C33 | H38 | 109.2° | 109.5° |
| C32 | C33 | H39 | 109.2° | 109.5° |
| C32 | C18 | H22 | 109.6° | 109.5° |
| C32 | C18 | H23 | 109.6° | 109.5° |
| C18 | C32 | H35 | 109.9° | 109.5° |
| C18 | C32 | H36 | 109.9° | 109.5° |
| H13 | C05 | H14 | 109.5° | 109.5° |
| H13 | C05 | H15 | 109.4° | 109.4° |
| H14 | C05 | H15 | 109.5° | 109.5° |
| H16 | C06 | H17 | 109.5° | 109.5° |
| H18 | C07 | H19 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 110.8° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H29 | C27 | H30 | 109.5° | 109.5° |
| H31 | C29 | H32 | 109.4° | 109.5° |
| H35 | C32 | H36 | 109.5° | 109.5° |
| H38 | C33 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F02 | C08 | F01 | F03 | 110.9° | 120.0° |
| F02 | C08 | F01 | C06 | 124.0° | 120.0° |
| F02 | C08 | F03 | C06 | 122.3° | 120.0° |
| F02 | C08 | C06 | N01 | 174.7° | 60.0° |
| F02 | C08 | C06 | H16 | 53.5° | 180.0° |
| F02 | C08 | C06 | H17 | 64.2° | 60.0° |
| F01 | C08 | F03 | C06 | 126.2° | 120.0° |
| F01 | C08 | C06 | N01 | 64.4° | 60.0° |
| F01 | C08 | C06 | H16 | 174.5° | 60.0° |
| F01 | C08 | C06 | H17 | 56.8° | 180.0° |
| F03 | C08 | C06 | N01 | 56.0° | 180.0° |
| F03 | C08 | C06 | H16 | 65.2° | 60.1° |
| F03 | C08 | C06 | H17 | 177.1° | 60.0° |
| C08 | C06 | N01 | H16 | 121.1° | 120.0° |
| C08 | C06 | N01 | H17 | 121.1° | 120.0° |
| C08 | C06 | N01 | C13 | 61.9° | 85.0° |
| C08 | C06 | N01 | S01 | 112.5° | 94.9° |
| C08 | C06 | H16 | H17 | 116.3° | 120.0° |
| C06 | N01 | C13 | C21 | 87.7° | 118.1° |
| C06 | N01 | C13 | S01 | 174.4° | 179.9° |
| C06 | N01 | C13 | C12 | 93.2° | 62.2° |
| C06 | N01 | S01 | O02 | 21.0° | 147.8° |
| C06 | N01 | S01 | C26 | 97.1° | 96.1° |
| C06 | N01 | S01 | O04 | 145.2° | 19.9° |
| N01 | C06 | H16 | H17 | 116.4° | 120.0° |
| C03 | C04 | C23 | H12 | 180.0° | 179.7° |
| C03 | C04 | C23 | O06 | 179.2° | 180.0° |
| C04 | C03 | C11 | H11 | 180.0° | 180.0° |
| C03 | C04 | C23 | C10 | 2.1° | 0.0° |
| C04 | C03 | C11 | C15 | 178.3° | 180.0° |
| C04 | C03 | C11 | C30 | 1.3° | 0.6° |
| C04 | C23 | O06 | C10 | 177.0° | 180.0° |
| C23 | C04 | C03 | C11 | 1.9° | 0.3° |
| C04 | C23 | C10 | C30 | 1.8° | 0.0° |
| C04 | C23 | C10 | H1 | 178.2° | 179.7° |
| C23 | C04 | C03 | H11 | 178.1° | 179.7° |
| C04 | C23 | O06 | H37 | 180.0° | 89.9° |
| O06 | C23 | C10 | C30 | 178.9° | 180.0° |
| O06 | C23 | C10 | H1 | 1.1° | 0.3° |
| O06 | C23 | C04 | H12 | 0.8° | 0.3° |
| C03 | C11 | C15 | C14 | 1.8° | 114.7° |
| C03 | C11 | C15 | C30 | 179.6° | 179.4° |
| C03 | C11 | C30 | C10 | 1.1° | 0.6° |
| C03 | C11 | C15 | C01 | 160.4° | 64.9° |
| C11 | C03 | C04 | H12 | 178.1° | 180.0° |
| C03 | C11 | C30 | H33 | 178.9° | 179.4° |
| C23 | C10 | C30 | C11 | 1.4° | 0.3° |
| C23 | C10 | C30 | H1 | 180.0° | 179.7° |
| C10 | C23 | C04 | H12 | 177.9° | 179.7° |
| C23 | C10 | C30 | H33 | 178.6° | 179.7° |
| C10 | C23 | O06 | H37 | 2.9° | 90.0° |
| C14 | C19 | C26 | H24 | 118.6° | 118.3° |
| C14 | C19 | C26 | H25 | 118.6° | 118.0° |
| C19 | C14 | C15 | O05 | 106.6° | 104.9° |
| C19 | C14 | C15 | H21 | 124.9° | 129.6° |
| C19 | C14 | O05 | H21 | 124.3° | 126.8° |
| C19 | C14 | C15 | C11 | 116.6° | 107.2° |
| C19 | C14 | C15 | C01 | 76.6° | 72.5° |
| C14 | C19 | C26 | S01 | 124.5° | 118.0° |
| C14 | C19 | C26 | C02 | 0.3° | 0.4° |
| C19 | C14 | O05 | C02 | 59.5° | 57.1° |
| C14 | C19 | C26 | H7 | 115.8° | 118.5° |
| C14 | C19 | H24 | H25 | 124.0° | 123.6° |
| C19 | C26 | S01 | N01 | 61.9° | 66.4° |
| C26 | C19 | C14 | C15 | 73.8° | 69.9° |
| C26 | C19 | C14 | O05 | 35.8° | 34.4° |
| C19 | C26 | S01 | O02 | 46.2° | 178.1° |
| C19 | C26 | S01 | C02 | 114.7° | 112.9° |
| C19 | C26 | S01 | H7 | 121.1° | 123.4° |
| C19 | C26 | C02 | H7 | 115.3° | 117.9° |
| C19 | C26 | S01 | O04 | 172.0° | 45.2° |
| C19 | C26 | C02 | O05 | 36.6° | 35.1° |
| C19 | C26 | C02 | C01 | 71.9° | 69.3° |
| C19 | C26 | C02 | H10 | 162.7° | 161.9° |
| C26 | C19 | C14 | H21 | 161.6° | 160.8° |
| C26 | C19 | H24 | H25 | 124.0° | 123.8° |
| C13 | C21 | C28 | H5 | 180.0° | 180.0° |
| C21 | C13 | N01 | C12 | 179.2° | 179.7° |
| C21 | C13 | N01 | S01 | 86.8° | 61.9° |
| C13 | C21 | C28 | C09 | 0.2° | 0.0° |
| C21 | C13 | C12 | C24 | 0.1° | 0.0° |
| C13 | C21 | C28 | H8 | 179.8° | 180.0° |
| C21 | C13 | C12 | H20 | 179.9° | 180.0° |
| C28 | C21 | C13 | N01 | 179.4° | 179.7° |
| C28 | C21 | C13 | C12 | 0.2° | 0.0° |
| C21 | C28 | C09 | H8 | 180.0° | 179.9° |
| C21 | C28 | C09 | O01 | 179.9° | 180.0° |
| C21 | C28 | C09 | C24 | 0.1° | 0.1° |
| C13 | N01 | S01 | O02 | 164.8° | 32.1° |
| N01 | C13 | C12 | C24 | 179.4° | 179.7° |
| C13 | N01 | S01 | C26 | 77.1° | 83.9° |
| C13 | N01 | S01 | O04 | 40.5° | 160.0° |
| N01 | C13 | C21 | H5 | 0.6° | 0.3° |
| C13 | N01 | C06 | H16 | 177.0° | 155.0° |
| C13 | N01 | C06 | H17 | 59.2° | 35.1° |
| N01 | C13 | C12 | H20 | 0.6° | 0.3° |
| S01 | N01 | C13 | C12 | 92.4° | 117.8° |
| N01 | S01 | O02 | C26 | 114.0° | 111.8° |
| N01 | S01 | O02 | O04 | 108.1° | 116.8° |
| N01 | S01 | C26 | O04 | 110.1° | 111.6° |
| N01 | S01 | C26 | C02 | 176.6° | 179.3° |
| N01 | S01 | C26 | H7 | 59.2° | 57.0° |
| S01 | N01 | C06 | H16 | 8.7° | 25.0° |
| S01 | N01 | C06 | H17 | 126.4° | 145.0° |
| C15 | C14 | O05 | H21 | 127.2° | 125.3° |
| C14 | C15 | C11 | C01 | 162.2° | 179.7° |
| C14 | C15 | C11 | C30 | 178.6° | 65.9° |
| C15 | C14 | O05 | C02 | 49.0° | 50.8° |
| C14 | C15 | C01 | C02 | 1.9° | 0.2° |
| C14 | C15 | C01 | C22 | 159.1° | 179.8° |
| C15 | C14 | C19 | H24 | 167.7° | 48.6° |
| C15 | C14 | C19 | H25 | 44.8° | 172.2° |
| O05 | C14 | C15 | C11 | 136.8° | 147.8° |
| O05 | C14 | C15 | C01 | 29.9° | 32.5° |
| C14 | O05 | C02 | C26 | 60.3° | 57.2° |
| C14 | O05 | C02 | C01 | 49.4° | 50.8° |
| C14 | O05 | C02 | H10 | 175.0° | 176.6° |
| O05 | C14 | C19 | H24 | 82.7° | 152.9° |
| O05 | C14 | C19 | H25 | 154.4° | 83.5° |
| C13 | C12 | C24 | H20 | 180.0° | 180.0° |
| C13 | C12 | C24 | C09 | 0.1° | 0.0° |
| C12 | C13 | C21 | H5 | 179.8° | 180.0° |
| C13 | C12 | C24 | H6 | 179.9° | 180.0° |
| C28 | C09 | C24 | C12 | 0.1° | 0.0° |
| C28 | C09 | O01 | C24 | 179.9° | 179.9° |
| C28 | C09 | O01 | C05 | 147.6° | 180.0° |
| C09 | C28 | C21 | H5 | 179.8° | 179.9° |
| C28 | C09 | C24 | H6 | 179.9° | 180.0° |
| C15 | C11 | C30 | C10 | 178.5° | 180.0° |
| C11 | C15 | C01 | C02 | 166.8° | 180.0° |
| C11 | C15 | C01 | C22 | 5.8° | 0.1° |
| C15 | C11 | C03 | H11 | 1.7° | 0.1° |
| C11 | C15 | C14 | H21 | 8.2° | 22.4° |
| C15 | C11 | C30 | H33 | 1.4° | 0.0° |
| C11 | C30 | C10 | H33 | 180.0° | 180.0° |
| C30 | C11 | C15 | C01 | 19.2° | 114.5° |
| C11 | C30 | C10 | H1 | 178.6° | 180.0° |
| C30 | C11 | C03 | H11 | 178.7° | 179.5° |
| O02 | S01 | C26 | O04 | 141.8° | 136.7° |
| O02 | S01 | C26 | C02 | 68.5° | 69.0° |
| O02 | S01 | C26 | H7 | 167.3° | 54.7° |
| C12 | C24 | C09 | O01 | 180.0° | 180.0° |
| C12 | C24 | C09 | H6 | 180.0° | 180.0° |
| O01 | C09 | C24 | H6 | 0.0° | 0.1° |
| O01 | C09 | C28 | H8 | 0.1° | 0.1° |
| C09 | O01 | C05 | H13 | 180.0° | 60.0° |
| C09 | O01 | C05 | H14 | 60.0° | 60.0° |
| C09 | O01 | C05 | H15 | 60.0° | 180.0° |
| C24 | C09 | O01 | C05 | 32.4° | 0.1° |
| C24 | C09 | C28 | H8 | 179.9° | 180.0° |
| C09 | C24 | C12 | H20 | 179.9° | 180.0° |
| C15 | C01 | C02 | C26 | 74.1° | 72.5° |
| C15 | C01 | C02 | O05 | 33.3° | 32.2° |
| C15 | C01 | C02 | C22 | 165.8° | 180.0° |
| C15 | C01 | C22 | C17 | 129.7° | 64.9° |
| C15 | C01 | C22 | C34 | 54.2° | 115.0° |
| C15 | C01 | C02 | H10 | 160.4° | 158.7° |
| C01 | C15 | C14 | H21 | 158.5° | 157.9° |
| O01 | C05 | H13 | H14 | 120.0° | 120.0° |
| O01 | C05 | H13 | H15 | 120.0° | 120.0° |
| O01 | C05 | H14 | H15 | 120.0° | 120.0° |
| S01 | C26 | C02 | H7 | 122.7° | 123.6° |
| S01 | C26 | C02 | O05 | 85.4° | 83.4° |
| S01 | C26 | C02 | C01 | 166.1° | 172.2° |
| S01 | C26 | C02 | H10 | 40.7° | 43.4° |
| S01 | C26 | C19 | H24 | 5.9° | 123.7° |
| S01 | C26 | C19 | H25 | 116.9° | 0.0° |
| C02 | C26 | S01 | O04 | 73.3° | 67.7° |
| C26 | C02 | O05 | C01 | 109.8° | 107.9° |
| C26 | C02 | O05 | H10 | 124.6° | 126.2° |
| C26 | C02 | C01 | H10 | 125.5° | 128.8° |
| C26 | C02 | C01 | C22 | 120.1° | 107.5° |
| C02 | C26 | C19 | H24 | 118.9° | 117.9° |
| C02 | C26 | C19 | H25 | 118.3° | 118.3° |
| O04 | S01 | C26 | H7 | 50.9° | 168.6° |
| O05 | C02 | C01 | H10 | 127.1° | 126.5° |
| O05 | C02 | C01 | C22 | 132.5° | 147.8° |
| O05 | C02 | C26 | H7 | 151.9° | 153.0° |
| C02 | O05 | C14 | H21 | 176.2° | 176.2° |
| C02 | C01 | C22 | C17 | 70.7° | 115.0° |
| C02 | C01 | C22 | C34 | 105.4° | 65.0° |
| C01 | C02 | C26 | H7 | 43.3° | 48.6° |
| C01 | C22 | C17 | C34 | 176.3° | 180.0° |
| C01 | C22 | C17 | C20 | 177.1° | 180.0° |
| C01 | C22 | C34 | C31 | 177.1° | 179.5° |
| C01 | C22 | C17 | H3 | 3.0° | 0.3° |
| C22 | C01 | C02 | H10 | 5.4° | 21.3° |
| C01 | C22 | C34 | H40 | 2.9° | 0.0° |
| C22 | C17 | C20 | H3 | 180.0° | 179.7° |
| C17 | C22 | C34 | C31 | 0.9° | 0.5° |
| C22 | C17 | C20 | C16 | 0.7° | 0.3° |
| C22 | C17 | C20 | H4 | 179.3° | 179.7° |
| C17 | C22 | C34 | H40 | 179.1° | 180.0° |
| C34 | C22 | C17 | C20 | 0.8° | 0.0° |
| C22 | C34 | C31 | H40 | 180.0° | 179.5° |
| C22 | C34 | C31 | C16 | 1.1° | 0.8° |
| C34 | C22 | C17 | H3 | 179.3° | 179.7° |
| C22 | C34 | C31 | H34 | 179.0° | 179.7° |
| C17 | C20 | C16 | H4 | 180.0° | 180.0° |
| C17 | C20 | C16 | C31 | 0.8° | 0.0° |
| C17 | C20 | C16 | O03 | 179.7° | 179.9° |
| C34 | C31 | C16 | C20 | 0.9° | 0.5° |
| C34 | C31 | C16 | H34 | 180.0° | 179.5° |
| C34 | C31 | C16 | O03 | 179.8° | 179.5° |
| C20 | C16 | C31 | O03 | 178.8° | 179.9° |
| C20 | C16 | O03 | C29 | 174.2° | 180.0° |
| C16 | C20 | C17 | H3 | 179.3° | 180.0° |
| C20 | C16 | C31 | H34 | 179.1° | 179.9° |
| C31 | C16 | O03 | C29 | 7.0° | 0.0° |
| C31 | C16 | C20 | H4 | 179.2° | 180.0° |
| C16 | C31 | C34 | H40 | 179.0° | 179.7° |
| C16 | O03 | C29 | C25 | 163.5° | 180.0° |
| O03 | C16 | C20 | H4 | 0.3° | 0.0° |
| C16 | O03 | C29 | H31 | 76.5° | 60.1° |
| C16 | O03 | C29 | H32 | 43.4° | 60.0° |
| O03 | C16 | C31 | H34 | 0.2° | 0.0° |
| O03 | C29 | C25 | H31 | 120.0° | 120.0° |
| O03 | C29 | C25 | H32 | 120.0° | 119.9° |
| O03 | C29 | C25 | N02 | 158.5° | 65.0° |
| O03 | C29 | C25 | H26 | 81.0° | 55.0° |
| O03 | C29 | C25 | H27 | 38.0° | 175.0° |
| O03 | C29 | H31 | H32 | 119.9° | 120.0° |
| C29 | C25 | N02 | H26 | 120.5° | 120.0° |
| C29 | C25 | N02 | H27 | 120.4° | 120.0° |
| C29 | C25 | N02 | C27 | 44.2° | 65.8° |
| C29 | C25 | N02 | C33 | 169.4° | 170.0° |
| C29 | C25 | H26 | H27 | 118.5° | 120.0° |
| C25 | C29 | H31 | H32 | 120.0° | 120.0° |
| C25 | N02 | C27 | C33 | 124.2° | 124.1° |
| C25 | N02 | C27 | C07 | 178.7° | 174.2° |
| C25 | N02 | C33 | C32 | 167.5° | 174.2° |
| N02 | C25 | H26 | H27 | 118.6° | 120.0° |
| C25 | N02 | C27 | H29 | 58.6° | 65.8° |
| C25 | N02 | C27 | H30 | 61.1° | 54.2° |
| N02 | C25 | C29 | H31 | 38.4° | 175.0° |
| N02 | C25 | C29 | H32 | 81.5° | 55.0° |
| C25 | N02 | C33 | H38 | 72.3° | 65.8° |
| C25 | N02 | C33 | H39 | 47.3° | 54.2° |
| N02 | C27 | C07 | H29 | 120.1° | 120.0° |
| N02 | C27 | C07 | H30 | 120.2° | 120.0° |
| N02 | C27 | C07 | C18 | 52.9° | 59.2° |
| C27 | N02 | C33 | C32 | 64.1° | 61.7° |
| N02 | C27 | C07 | H18 | 67.5° | 179.2° |
| N02 | C27 | C07 | H19 | 173.3° | 60.8° |
| C27 | N02 | C25 | H26 | 76.3° | 174.2° |
| C27 | N02 | C25 | H27 | 164.7° | 54.2° |
| N02 | C27 | H29 | H30 | 119.5° | 120.0° |
| C27 | N02 | C33 | H38 | 56.1° | 58.3° |
| C27 | N02 | C33 | H39 | 175.7° | 178.2° |
| C07 | C27 | N02 | C33 | 57.1° | 61.8° |
| C27 | C07 | C18 | H18 | 120.4° | 120.0° |
| C27 | C07 | C18 | H19 | 120.4° | 120.0° |
| C27 | C07 | C18 | C32 | 53.6° | 57.6° |
| C27 | C07 | H18 | H19 | 118.8° | 120.1° |
| C27 | C07 | C18 | H22 | 173.5° | 177.6° |
| C27 | C07 | C18 | H23 | 66.3° | 62.2° |
| C07 | C27 | H29 | H30 | 119.6° | 120.0° |
| N02 | C33 | C32 | H38 | 120.2° | 120.0° |
| N02 | C33 | C32 | H39 | 120.2° | 120.0° |
| N02 | C33 | C32 | C18 | 64.0° | 59.1° |
| C33 | N02 | C25 | H26 | 49.0° | 50.0° |
| C33 | N02 | C25 | H27 | 70.1° | 70.0° |
| C33 | N02 | C27 | H29 | 177.2° | 58.3° |
| C33 | N02 | C27 | H30 | 63.1° | 178.2° |
| N02 | C33 | C32 | H35 | 176.3° | 60.8° |
| N02 | C33 | C32 | H36 | 55.7° | 179.1° |
| N02 | C33 | H38 | H39 | 119.4° | 120.0° |
| C07 | C18 | C32 | C33 | 57.5° | 57.6° |
| C07 | C18 | C32 | H22 | 119.9° | 120.0° |
| C07 | C18 | C32 | H23 | 119.9° | 119.9° |
| C18 | C07 | H18 | H19 | 118.7° | 120.0° |
| C07 | C18 | H22 | H23 | 120.3° | 120.2° |
| C18 | C07 | C27 | H29 | 173.0° | 60.8° |
| C18 | C07 | C27 | H30 | 67.3° | 179.2° |
| C07 | C18 | C32 | H35 | 177.2° | 62.3° |
| C07 | C18 | C32 | H36 | 62.2° | 177.6° |
| C33 | C32 | C18 | H35 | 119.7° | 119.9° |
| C33 | C32 | C18 | H36 | 119.7° | 120.0° |
| C33 | C32 | C18 | H22 | 177.4° | 177.6° |
| C33 | C32 | C18 | H23 | 62.4° | 62.3° |
| C33 | C32 | H35 | H36 | 120.8° | 120.1° |
| C32 | C33 | H38 | H39 | 119.5° | 120.0° |
| C32 | C18 | C07 | H18 | 66.8° | 177.6° |
| C32 | C18 | C07 | H19 | 174.1° | 62.4° |
| C32 | C18 | H22 | H23 | 120.3° | 120.1° |
| C18 | C32 | H35 | H36 | 120.8° | 120.1° |
| C18 | C32 | C33 | H38 | 56.2° | 60.9° |
| C18 | C32 | C33 | H39 | 175.8° | 179.1° |
| H1 | C10 | C30 | H33 | 1.4° | 0.0° |
| H3 | C17 | C20 | H4 | 0.7° | 0.0° |
| H5 | C21 | C28 | H8 | 0.2° | 0.0° |
| H6 | C24 | C12 | H20 | 0.1° | 0.0° |
| H7 | C26 | C02 | H10 | 82.1° | 80.2° |
| H7 | C26 | C19 | H24 | 125.7° | 0.2° |
| H7 | C26 | C19 | H25 | 2.8° | 123.5° |
| H11 | C03 | C04 | H12 | 1.9° | 0.0° |
| H13 | C05 | H14 | H15 | 119.9° | 120.0° |
| H18 | C07 | C18 | H22 | 53.1° | 62.4° |
| H18 | C07 | C18 | H23 | 173.3° | 57.8° |
| H18 | C07 | C27 | H29 | 52.6° | 59.2° |
| H18 | C07 | C27 | H30 | 172.3° | 60.8° |
| H19 | C07 | C18 | H22 | 66.1° | 57.6° |
| H19 | C07 | C18 | H23 | 54.2° | 177.8° |
| H19 | C07 | C27 | H29 | 66.6° | 179.2° |
| H19 | C07 | C27 | H30 | 53.1° | 59.2° |
| H21 | C14 | C19 | H24 | 43.0° | 80.6° |
| H21 | C14 | C19 | H25 | 79.8° | 42.9° |
| H22 | C18 | C32 | H35 | 62.9° | 57.7° |
| H22 | C18 | C32 | H36 | 57.6° | 62.4° |
| H23 | C18 | C32 | H35 | 57.3° | 177.8° |
| H23 | C18 | C32 | H36 | 177.8° | 57.7° |
| H26 | C25 | C29 | H31 | 158.9° | 65.0° |
| H26 | C25 | C29 | H32 | 39.0° | 175.0° |
| H27 | C25 | C29 | H31 | 82.0° | 55.0° |
| H27 | C25 | C29 | H32 | 158.0° | 65.1° |
| H34 | C31 | C34 | H40 | 1.0° | 0.2° |
| H35 | C32 | C33 | H38 | 63.6° | 179.2° |
| H35 | C32 | C33 | H39 | 56.1° | 59.2° |
| H36 | C32 | C33 | H38 | 175.9° | 59.1° |
| H36 | C32 | C33 | H39 | 64.5° | 60.9° |
