JC7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F15 | C12 | sing | 1.40Å | 1.34Å | |
| C10 | C09 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C12 | F14 | sing | 1.40Å | 1.34Å | |
| C12 | F13 | sing | 1.40Å | 1.33Å | |
| C11 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C07 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.54Å | |
| C07 | O06 | sing | 1.36Å | 1.41Å | |
| C02 | C03 | sing | 1.53Å | 1.50Å | |
| C02 | O01 | sing | 1.43Å | 1.42Å | |
| O04 | C03 | sing | 1.43Å | 1.49Å | |
| O04 | C05 | sing | 1.43Å | 1.45Å | |
| C03 | C35 | sing | 1.53Å | 1.52Å | |
| O06 | C05 | sing | 1.43Å | 1.38Å | |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C28 | sing | 1.53Å | 1.52Å | |
| C23 | S21 | sing | 1.81Å | 1.79Å | |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C33 | sing | 1.53Å | 1.48Å | |
| C35 | O36 | sing | 1.43Å | 1.46Å | |
| C28 | N29 | sing | 1.47Å | 1.46Å | |
| C28 | C33 | sing | 1.53Å | 1.48Å | |
| C19 | N20 | sing | 1.40Å | 1.43Å | |
| C19 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| N29 | C30 | sing | 1.35Å | 1.43Å | |
| C33 | O34 | sing | 1.43Å | 1.46Å | |
| S21 | N20 | sing | 1.66Å | 1.65Å | |
| S21 | O22 | doub | 1.42Å | 1.43Å | |
| S21 | O24 | doub | 1.42Å | 1.43Å | |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C30 | O32 | doub | 1.21Å | 1.22Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C26 | H2 | sing | 1.08Å | 1.08Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| O01 | H4 | sing | 0.97Å | 0.95Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| N20 | H12 | sing | 0.97Å | 1.00Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| N29 | H18 | sing | 0.97Å | 1.00Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| O34 | H23 | sing | 0.97Å | 0.95Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| O36 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F15 | C12 | C11 | 109.4° | 109.4° |
| F15 | C12 | F14 | 109.5° | 109.5° |
| F15 | C12 | F13 | 109.2° | 109.5° |
| C09 | C10 | C11 | 120.7° | 120.3° |
| C10 | C09 | C08 | 120.4° | 120.3° |
| C09 | C10 | H1 | 119.7° | 119.9° |
| C10 | C09 | H10 | 119.8° | 119.9° |
| C10 | C11 | C12 | 119.4° | 120.0° |
| C10 | C11 | C16 | 118.7° | 119.9° |
| C11 | C10 | H1 | 119.6° | 119.8° |
| C09 | C08 | C07 | 118.9° | 120.1° |
| C09 | C08 | H9 | 120.6° | 120.0° |
| C08 | C09 | H10 | 119.8° | 119.8° |
| C11 | C12 | F14 | 108.8° | 109.5° |
| C11 | C12 | F13 | 111.3° | 109.5° |
| C12 | C11 | C16 | 121.9° | 120.1° |
| F14 | C12 | F13 | 108.5° | 109.5° |
| C11 | C16 | C07 | 120.7° | 119.7° |
| C11 | C16 | C17 | 122.1° | 120.1° |
| C08 | C07 | C16 | 120.6° | 119.8° |
| C08 | C07 | O06 | 123.9° | 120.2° |
| C07 | C08 | H9 | 120.5° | 119.9° |
| C07 | C16 | C17 | 117.2° | 120.2° |
| C16 | C07 | O06 | 115.4° | 120.1° |
| C16 | C17 | C18 | 119.0° | 120.1° |
| C16 | C17 | C27 | 120.8° | 120.1° |
| C07 | O06 | C05 | 115.7° | 116.9° |
| C03 | C02 | O01 | 110.9° | 109.5° |
| C02 | C03 | O04 | 108.6° | 109.5° |
| C02 | C03 | C35 | 113.8° | 109.5° |
| C03 | C02 | H5 | 109.1° | 109.5° |
| C03 | C02 | H6 | 109.1° | 109.5° |
| C02 | C03 | H7 | 107.5° | 109.5° |
| C02 | O01 | H4 | 109.5° | 114.0° |
| O01 | C02 | H5 | 109.1° | 109.5° |
| O01 | C02 | H6 | 109.1° | 109.5° |
| C03 | O04 | C05 | 111.0° | 114.1° |
| O04 | C03 | C35 | 111.9° | 109.4° |
| O04 | C03 | H7 | 107.6° | 109.4° |
| O04 | C05 | O06 | 108.3° | 109.5° |
| O04 | C05 | C28 | 111.8° | 109.4° |
| O04 | C05 | H8 | 110.0° | 109.5° |
| C03 | C35 | C33 | 109.8° | 109.2° |
| C03 | C35 | O36 | 110.3° | 109.5° |
| C35 | C03 | H7 | 107.2° | 109.5° |
| C03 | C35 | H24 | 108.6° | 109.5° |
| O06 | C05 | C28 | 106.7° | 109.4° |
| O06 | C05 | H8 | 111.0° | 109.5° |
| C18 | C17 | C27 | 120.2° | 119.8° |
| C17 | C18 | C19 | 118.8° | 119.8° |
| C17 | C18 | H11 | 120.6° | 120.1° |
| C17 | C27 | C26 | 120.6° | 120.0° |
| C17 | C27 | H17 | 119.7° | 120.0° |
| C05 | C28 | N29 | 106.6° | 109.5° |
| C05 | C28 | C33 | 110.8° | 109.1° |
| C05 | C28 | H3 | 108.9° | 109.6° |
| C28 | C05 | H8 | 109.0° | 109.5° |
| C23 | S21 | N20 | 110.1° | 104.5° |
| C23 | S21 | O22 | 110.1° | 110.5° |
| C23 | S21 | O24 | 109.8° | 110.5° |
| S21 | C23 | H13 | 109.5° | 109.5° |
| S21 | C23 | H14 | 109.4° | 109.5° |
| S21 | C23 | H15 | 109.5° | 109.4° |
| C18 | C19 | N20 | 119.4° | 120.0° |
| C18 | C19 | C25 | 121.6° | 120.0° |
| C19 | C18 | H11 | 120.7° | 120.1° |
| C27 | C26 | C25 | 119.7° | 120.2° |
| C27 | C26 | H2 | 120.2° | 119.9° |
| C26 | C27 | H17 | 119.7° | 120.0° |
| C33 | C35 | O36 | 109.7° | 109.5° |
| C35 | C33 | C28 | 111.1° | 109.0° |
| C35 | C33 | O34 | 110.4° | 109.6° |
| C35 | C33 | H22 | 108.8° | 109.6° |
| C33 | C35 | H24 | 109.0° | 109.6° |
| O36 | C35 | H24 | 109.4° | 109.5° |
| C35 | O36 | H25 | 109.5° | 114.0° |
| N29 | C28 | C33 | 111.2° | 109.5° |
| C28 | N29 | C30 | 122.6° | 120.0° |
| N29 | C28 | H3 | 109.7° | 109.5° |
| C28 | N29 | H18 | 118.7° | 120.0° |
| C28 | C33 | O34 | 108.4° | 109.5° |
| C33 | C28 | H3 | 109.5° | 109.5° |
| C28 | C33 | H22 | 109.0° | 109.5° |
| N20 | C19 | C25 | 119.0° | 120.0° |
| C19 | N20 | S21 | 116.4° | 120.0° |
| C19 | N20 | H12 | 107.7° | 119.9° |
| C19 | C25 | C26 | 119.2° | 120.2° |
| C19 | C25 | H16 | 120.4° | 119.9° |
| N29 | C30 | C31 | 118.7° | 120.0° |
| N29 | C30 | O32 | 121.5° | 120.0° |
| C30 | N29 | H18 | 118.7° | 120.0° |
| O34 | C33 | H22 | 109.1° | 109.6° |
| C33 | O34 | H23 | 109.5° | 114.0° |
| N20 | S21 | O22 | 110.0° | 104.3° |
| N20 | S21 | O24 | 110.5° | 104.3° |
| S21 | N20 | H12 | 107.7° | 120.0° |
| O22 | S21 | O24 | 106.3° | 121.0° |
| C25 | C26 | H2 | 120.2° | 119.9° |
| C26 | C25 | H16 | 120.4° | 119.9° |
| C31 | C30 | O32 | 119.8° | 120.0° |
| C30 | C31 | H19 | 109.5° | 109.5° |
| C30 | C31 | H20 | 109.4° | 109.5° |
| C30 | C31 | H21 | 109.4° | 109.5° |
| H5 | C02 | H6 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H13 | C23 | H15 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H19 | C31 | H20 | 109.5° | 109.5° |
| H19 | C31 | H21 | 109.5° | 109.5° |
| H20 | C31 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F15 | C12 | C11 | C10 | 14.7° | 120.0° |
| F15 | C12 | C11 | F14 | 119.6° | 120.0° |
| F15 | C12 | C11 | F13 | 120.9° | 120.0° |
| F15 | C12 | F14 | F13 | 119.1° | 120.0° |
| F15 | C12 | C11 | C16 | 165.9° | 60.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C10 | C09 | C08 | H10 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 179.3° | 180.0° |
| C09 | C10 | C11 | C16 | 0.1° | 0.0° |
| C10 | C09 | C08 | C07 | 0.6° | 0.0° |
| C10 | C09 | C08 | H9 | 179.4° | 180.0° |
| C11 | C10 | C09 | C08 | 0.4° | 0.0° |
| C10 | C11 | C12 | C16 | 179.4° | 180.0° |
| C10 | C11 | C12 | F14 | 104.9° | 0.0° |
| C10 | C11 | C12 | F13 | 135.6° | 120.0° |
| C10 | C11 | C16 | C07 | 0.1° | 0.0° |
| C10 | C11 | C16 | C17 | 179.9° | 180.0° |
| C11 | C10 | C09 | H10 | 179.6° | 180.0° |
| C09 | C08 | C07 | H9 | 180.0° | 180.0° |
| C09 | C08 | C07 | C16 | 0.6° | 0.0° |
| C09 | C08 | C07 | O06 | 179.5° | 180.0° |
| C08 | C09 | C10 | H1 | 179.6° | 179.8° |
| C11 | C12 | F14 | F13 | 121.3° | 120.0° |
| C12 | C11 | C16 | C07 | 179.4° | 180.0° |
| C12 | C11 | C16 | C17 | 0.5° | 0.0° |
| C12 | C11 | C10 | H1 | 0.7° | 0.3° |
| F14 | C12 | C11 | C16 | 74.5° | 180.0° |
| F13 | C12 | C11 | C16 | 45.0° | 60.0° |
| C11 | C16 | C07 | C08 | 0.3° | 0.0° |
| C11 | C16 | C07 | C17 | 179.8° | 179.9° |
| C11 | C16 | C07 | O06 | 179.4° | 180.0° |
| C11 | C16 | C17 | C18 | 71.1° | 64.9° |
| C11 | C16 | C17 | C27 | 108.6° | 115.3° |
| C16 | C11 | C10 | H1 | 179.9° | 179.7° |
| C08 | C07 | C16 | O06 | 179.0° | 180.0° |
| C08 | C07 | C16 | C17 | 179.9° | 180.0° |
| C08 | C07 | O06 | C05 | 6.9° | 0.0° |
| C07 | C08 | C09 | H10 | 179.4° | 180.0° |
| C16 | C07 | O06 | C05 | 174.1° | 180.0° |
| C07 | C16 | C17 | C18 | 108.7° | 115.0° |
| C07 | C16 | C17 | C27 | 71.5° | 64.8° |
| C16 | C07 | C08 | H9 | 179.4° | 180.0° |
| C17 | C16 | C07 | O06 | 0.8° | 0.1° |
| C16 | C17 | C18 | C27 | 179.8° | 179.8° |
| C16 | C17 | C18 | C19 | 180.0° | 179.8° |
| C16 | C17 | C27 | C26 | 179.8° | 179.8° |
| C16 | C17 | C18 | H11 | 0.0° | 0.2° |
| C16 | C17 | C27 | H17 | 0.2° | 0.3° |
| C07 | O06 | C05 | O04 | 73.6° | 65.0° |
| C07 | O06 | C05 | C28 | 165.8° | 175.0° |
| C07 | O06 | C05 | H8 | 47.2° | 55.0° |
| O06 | C07 | C08 | H9 | 0.5° | 0.0° |
| C03 | C02 | O01 | H5 | 120.2° | 120.0° |
| C03 | C02 | O01 | H6 | 120.2° | 120.0° |
| C02 | C03 | O04 | C35 | 126.5° | 120.0° |
| C02 | C03 | O04 | H7 | 116.0° | 120.0° |
| C02 | C03 | O04 | C05 | 178.3° | 178.8° |
| C02 | C03 | C35 | H7 | 118.7° | 120.0° |
| C02 | C03 | C35 | C33 | 179.1° | 177.6° |
| C02 | C03 | C35 | O36 | 58.1° | 57.7° |
| C03 | C02 | O01 | H4 | 180.0° | 179.9° |
| C03 | C02 | H5 | H6 | 119.3° | 120.0° |
| C02 | C03 | C35 | H24 | 61.8° | 62.4° |
| O01 | C02 | C03 | O04 | 41.4° | 65.0° |
| O01 | C02 | C03 | C35 | 83.9° | 175.0° |
| O01 | C02 | H5 | H6 | 119.4° | 120.0° |
| O01 | C02 | C03 | H7 | 157.5° | 55.0° |
| O04 | C03 | C35 | H7 | 117.8° | 119.9° |
| C03 | O04 | C05 | O06 | 172.2° | 178.9° |
| C03 | O04 | C05 | C28 | 54.9° | 61.1° |
| O04 | C03 | C35 | C33 | 55.5° | 57.6° |
| O04 | C03 | C35 | O36 | 65.5° | 62.4° |
| O04 | C03 | C02 | H5 | 78.8° | 54.9° |
| O04 | C03 | C02 | H6 | 161.6° | 175.0° |
| C03 | O04 | C05 | H8 | 66.4° | 58.8° |
| O04 | C03 | C35 | H24 | 174.6° | 177.5° |
| C05 | O04 | C03 | C35 | 55.2° | 61.1° |
| O04 | C05 | O06 | C28 | 120.6° | 119.9° |
| O04 | C05 | O06 | H8 | 120.8° | 120.1° |
| O04 | C05 | C28 | H8 | 121.8° | 120.0° |
| O04 | C05 | C28 | N29 | 177.2° | 177.5° |
| O04 | C05 | C28 | C33 | 56.1° | 57.6° |
| O04 | C05 | C28 | H3 | 64.4° | 62.3° |
| C05 | O04 | C03 | H7 | 62.3° | 58.8° |
| C03 | C35 | C33 | O36 | 121.4° | 119.9° |
| C03 | C35 | C33 | H24 | 118.8° | 119.9° |
| C03 | C35 | O36 | H24 | 119.4° | 120.1° |
| C03 | C35 | C33 | C28 | 56.4° | 57.0° |
| C03 | C35 | C33 | O34 | 176.7° | 176.8° |
| C35 | C03 | C02 | H5 | 155.8° | 65.0° |
| C35 | C03 | C02 | H6 | 36.3° | 55.0° |
| C03 | C35 | C33 | H22 | 63.6° | 62.9° |
| C03 | C35 | O36 | H25 | 180.0° | 60.0° |
| O06 | C05 | C28 | H8 | 119.9° | 120.0° |
| O06 | C05 | C28 | N29 | 64.5° | 62.5° |
| O06 | C05 | C28 | C33 | 174.4° | 177.6° |
| O06 | C05 | C28 | H3 | 53.8° | 57.7° |
| C17 | C18 | C19 | H11 | 180.0° | 180.0° |
| C18 | C17 | C27 | C26 | 0.4° | 0.0° |
| C17 | C18 | C19 | N20 | 179.3° | 179.9° |
| C17 | C18 | C19 | C25 | 0.5° | 0.0° |
| C18 | C17 | C27 | H17 | 179.6° | 180.0° |
| C27 | C17 | C18 | C19 | 0.3° | 0.0° |
| C17 | C27 | C26 | H17 | 180.0° | 180.0° |
| C17 | C27 | C26 | C25 | 0.7° | 0.0° |
| C17 | C27 | C26 | H2 | 179.3° | 179.9° |
| C27 | C17 | C18 | H11 | 179.7° | 180.0° |
| C05 | C28 | C33 | C35 | 56.7° | 57.0° |
| C05 | C28 | N29 | C33 | 120.9° | 119.7° |
| C05 | C28 | N29 | H3 | 117.8° | 120.2° |
| C05 | C28 | C33 | H3 | 120.2° | 120.0° |
| C05 | C28 | N29 | C30 | 116.7° | 85.3° |
| C05 | C28 | C33 | O34 | 178.2° | 176.8° |
| C05 | C28 | N29 | H18 | 63.3° | 94.7° |
| C05 | C28 | C33 | H22 | 63.2° | 63.0° |
| C23 | S21 | N20 | C19 | 56.9° | 61.2° |
| C23 | S21 | N20 | O22 | 121.5° | 116.1° |
| C23 | S21 | N20 | O24 | 121.4° | 116.1° |
| C23 | S21 | O22 | O24 | 118.9° | 131.5° |
| C23 | S21 | N20 | H12 | 64.1° | 118.8° |
| S21 | C23 | H13 | H14 | 120.0° | 120.0° |
| S21 | C23 | H13 | H15 | 120.0° | 120.0° |
| S21 | C23 | H14 | H15 | 120.0° | 120.0° |
| C18 | C19 | N20 | C25 | 178.9° | 179.9° |
| C18 | C19 | N20 | S21 | 103.0° | 133.7° |
| C18 | C19 | C25 | C26 | 0.8° | 0.1° |
| C18 | C19 | N20 | H12 | 18.0° | 46.2° |
| C18 | C19 | C25 | H16 | 179.2° | 179.9° |
| C27 | C26 | C25 | C19 | 0.9° | 0.0° |
| C27 | C26 | C25 | H2 | 180.0° | 179.9° |
| C27 | C26 | C25 | H16 | 179.1° | 180.0° |
| C33 | C35 | O36 | H24 | 119.6° | 120.2° |
| C35 | C33 | C28 | N29 | 175.1° | 176.9° |
| C35 | C33 | C28 | O34 | 121.5° | 119.9° |
| C35 | C33 | C28 | H22 | 119.9° | 119.9° |
| C35 | C33 | O34 | H22 | 119.6° | 120.3° |
| C35 | C33 | C28 | H3 | 63.5° | 63.0° |
| C33 | C35 | C03 | H7 | 62.2° | 62.4° |
| C35 | C33 | O34 | H23 | 180.0° | 60.5° |
| C33 | C35 | O36 | H25 | 58.9° | 179.7° |
| O36 | C35 | C33 | C28 | 65.0° | 62.9° |
| O36 | C35 | C33 | O34 | 55.3° | 56.9° |
| O36 | C35 | C03 | H7 | 176.7° | 177.7° |
| O36 | C35 | C33 | H22 | 175.1° | 177.2° |
| N29 | C28 | C33 | H3 | 121.4° | 120.1° |
| C28 | N29 | C30 | H18 | 180.0° | 180.0° |
| N29 | C28 | C33 | O34 | 63.4° | 63.2° |
| C28 | N29 | C30 | C31 | 179.1° | 180.0° |
| C28 | N29 | C30 | O32 | 1.1° | 0.0° |
| N29 | C28 | C05 | H8 | 55.4° | 57.5° |
| N29 | C28 | C33 | H22 | 55.2° | 57.0° |
| C33 | C28 | N29 | C30 | 122.4° | 155.0° |
| C28 | C33 | O34 | H22 | 118.5° | 120.2° |
| C33 | C28 | C05 | H8 | 65.7° | 62.4° |
| C33 | C28 | N29 | H18 | 57.6° | 25.0° |
| C28 | C33 | O34 | H23 | 58.1° | 180.0° |
| C28 | C33 | C35 | H24 | 175.2° | 176.9° |
| C19 | N20 | S21 | H12 | 121.0° | 180.0° |
| C19 | N20 | S21 | O22 | 178.3° | 177.3° |
| C19 | N20 | S21 | O24 | 64.6° | 54.9° |
| N20 | C19 | C25 | C26 | 179.6° | 179.9° |
| N20 | C19 | C18 | H11 | 0.7° | 0.0° |
| N20 | C19 | C25 | H16 | 0.4° | 0.1° |
| C25 | C19 | N20 | S21 | 75.9° | 46.1° |
| C19 | C25 | C26 | H16 | 180.0° | 180.0° |
| C19 | C25 | C26 | H2 | 179.1° | 180.0° |
| C25 | C19 | C18 | H11 | 179.5° | 179.9° |
| C25 | C19 | N20 | H12 | 163.1° | 133.9° |
| N29 | C30 | C31 | O32 | 179.8° | 180.0° |
| C30 | N29 | C28 | H3 | 1.1° | 34.9° |
| N29 | C30 | C31 | H19 | 179.8° | 0.0° |
| N29 | C30 | C31 | H20 | 59.8° | 120.0° |
| N29 | C30 | C31 | H21 | 60.2° | 120.0° |
| O34 | C33 | C28 | H3 | 58.0° | 56.9° |
| O34 | C33 | C35 | H24 | 64.5° | 63.3° |
| N20 | S21 | O22 | O24 | 119.7° | 116.7° |
| N20 | S21 | C23 | H13 | 180.0° | 65.0° |
| N20 | S21 | C23 | H14 | 60.0° | 175.0° |
| N20 | S21 | C23 | H15 | 60.0° | 55.0° |
| O22 | S21 | N20 | H12 | 57.3° | 2.7° |
| O22 | S21 | C23 | H13 | 58.5° | 176.6° |
| O22 | S21 | C23 | H14 | 178.5° | 63.3° |
| O22 | S21 | C23 | H15 | 61.5° | 56.7° |
| O24 | S21 | N20 | H12 | 174.4° | 125.2° |
| O24 | S21 | C23 | H13 | 58.2° | 46.6° |
| O24 | S21 | C23 | H14 | 61.8° | 73.4° |
| O24 | S21 | C23 | H15 | 178.2° | 166.6° |
| C25 | C26 | C27 | H17 | 179.3° | 180.0° |
| C31 | C30 | N29 | H18 | 0.9° | 0.0° |
| C30 | C31 | H19 | H20 | 120.0° | 120.0° |
| C30 | C31 | H19 | H21 | 120.0° | 120.0° |
| C30 | C31 | H20 | H21 | 120.0° | 120.1° |
| O32 | C30 | N29 | H18 | 178.9° | 180.0° |
| O32 | C30 | C31 | H19 | 0.0° | 180.0° |
| O32 | C30 | C31 | H20 | 120.0° | 60.0° |
| O32 | C30 | C31 | H21 | 120.0° | 60.0° |
| H1 | C10 | C09 | H10 | 0.4° | 0.2° |
| H2 | C26 | C25 | H16 | 0.9° | 0.0° |
| H2 | C26 | C27 | H17 | 0.8° | 0.1° |
| H3 | C28 | C05 | H8 | 173.8° | 177.7° |
| H3 | C28 | N29 | H18 | 178.9° | 145.1° |
| H3 | C28 | C33 | H22 | 176.6° | 177.1° |
| H4 | O01 | C02 | H5 | 59.8° | 60.0° |
| H4 | O01 | C02 | H6 | 59.8° | 60.0° |
| H5 | C02 | C03 | H7 | 37.3° | 174.9° |
| H6 | C02 | C03 | H7 | 82.2° | 65.0° |
| H7 | C03 | C35 | H24 | 56.9° | 57.6° |
| H9 | C08 | C09 | H10 | 0.6° | 0.0° |
| H13 | C23 | H14 | H15 | 120.0° | 120.0° |
| H19 | C31 | H20 | H21 | 120.0° | 120.0° |
| H22 | C33 | O34 | H23 | 60.4° | 59.8° |
| H22 | C33 | C35 | H24 | 55.2° | 57.0° |
| H24 | C35 | O36 | H25 | 60.7° | 60.1° |
