XF8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S33 | C34 | sing | 1.76Å | 1.90Å | |
| S33 | C30 | sing | 1.81Å | 1.89Å | |
| C35 | C34 | doub | 1.39Å | 1.42Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.42Å | Aromatic |
| C34 | C39 | sing | 1.39Å | 1.42Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.42Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | C30 | sing | 1.53Å | 1.56Å | |
| C37 | C38 | sing | 1.38Å | 1.42Å | Aromatic |
| C30 | C29 | sing | 1.53Å | 1.59Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| O18 | C14 | doub | 1.21Å | 1.25Å | |
| C29 | O28 | sing | 1.45Å | 1.42Å | |
| C14 | N15 | sing | 1.34Å | 1.39Å | |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| O01 | C02 | doub | 1.22Å | 1.26Å | |
| N15 | C16 | sing | 1.47Å | 1.48Å | |
| O28 | C02 | sing | 1.35Å | 1.35Å | |
| C02 | N03 | sing | 1.35Å | 1.33Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C17 | sing | 1.55Å | 1.53Å | |
| C16 | C17 | sing | 1.55Å | 1.55Å | |
| C08 | C06 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| N03 | C04 | sing | 1.46Å | 1.42Å | |
| C04 | C09 | sing | 1.51Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| N10 | C09 | sing | 1.35Å | 1.34Å | |
| N10 | C11 | sing | 1.46Å | 1.42Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.57Å | |
| C09 | O27 | doub | 1.21Å | 1.27Å | |
| C11 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | O20 | sing | 1.43Å | 1.46Å | |
| C19 | C21 | sing | 1.51Å | 1.52Å | |
| O26 | C21 | doub | 1.21Å | 1.27Å | |
| C21 | N22 | sing | 1.35Å | 1.39Å | |
| N22 | C23 | sing | 1.46Å | 1.46Å | |
| C23 | C24 | sing | 1.53Å | 1.58Å | |
| C23 | C25 | sing | 1.53Å | 1.59Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å | |
| C38 | H36 | sing | 1.08Å | 1.08Å | |
| C39 | H37 | sing | 1.08Å | 1.08Å | |
| N03 | H38 | sing | 0.97Å | 1.00Å | |
| N10 | H39 | sing | 0.97Å | 1.00Å | |
| N15 | H40 | sing | 0.97Å | 1.00Å | |
| N22 | H41 | sing | 0.97Å | 1.00Å | |
| O20 | H42 | sing | 0.97Å | 0.95Å | |
| C19 | S1 | sing | 1.81Å | 35.42Å | |
| S1 | O3 | sing | 1.52Å | 0.00Å | |
| S1 | O2 | doub | 1.42Å | 0.00Å | |
| S1 | O1 | doub | 1.42Å | 0.00Å | |
| O3 | H19 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | S33 | C30 | 111.8° | 103.0° |
| S33 | C34 | C35 | 120.5° | 120.0° |
| S33 | C34 | C39 | 120.2° | 120.1° |
| S33 | C30 | C32 | 105.3° | 109.4° |
| S33 | C30 | C29 | 106.6° | 109.4° |
| S33 | C30 | C31 | 106.3° | 109.5° |
| C34 | C35 | C36 | 120.2° | 119.9° |
| C35 | C34 | C39 | 119.3° | 119.9° |
| C34 | C35 | H33 | 119.9° | 120.1° |
| C35 | C36 | C37 | 120.5° | 120.1° |
| C36 | C35 | H33 | 119.9° | 120.0° |
| C35 | C36 | H34 | 119.7° | 120.0° |
| C34 | C39 | C38 | 120.4° | 119.9° |
| C34 | C39 | H37 | 119.8° | 120.0° |
| C36 | C37 | C38 | 119.3° | 120.2° |
| C37 | C36 | H34 | 119.7° | 119.9° |
| C36 | C37 | H35 | 120.4° | 119.9° |
| C39 | C38 | C37 | 120.3° | 120.1° |
| C39 | C38 | H36 | 119.8° | 119.9° |
| C38 | C39 | H37 | 119.8° | 120.1° |
| C32 | C30 | C29 | 111.4° | 109.5° |
| C32 | C30 | C31 | 114.5° | 109.5° |
| C30 | C32 | H30 | 109.5° | 109.5° |
| C30 | C32 | H31 | 109.5° | 109.5° |
| C30 | C32 | H32 | 109.5° | 109.5° |
| C38 | C37 | H35 | 120.4° | 119.9° |
| C37 | C38 | H36 | 119.8° | 120.0° |
| C29 | C30 | C31 | 112.1° | 109.5° |
| C30 | C29 | O28 | 110.7° | 109.5° |
| C30 | C29 | H25 | 109.2° | 109.5° |
| C30 | C29 | H26 | 109.2° | 109.5° |
| C30 | C31 | H27 | 109.5° | 109.5° |
| C30 | C31 | H28 | 109.5° | 109.5° |
| C30 | C31 | H29 | 109.5° | 109.4° |
| O18 | C14 | N15 | 123.5° | 124.9° |
| O18 | C14 | C13 | 121.3° | 125.0° |
| C29 | O28 | C02 | 119.4° | 117.0° |
| O28 | C29 | H25 | 109.2° | 109.5° |
| O28 | C29 | H26 | 109.2° | 109.5° |
| N15 | C14 | C13 | 115.2° | 110.1° |
| C14 | N15 | C16 | 106.6° | 111.3° |
| C14 | N15 | H40 | 126.7° | 124.3° |
| C14 | C13 | C12 | 114.9° | 110.5° |
| C14 | C13 | C17 | 100.8° | 104.2° |
| C14 | C13 | H14 | 109.3° | 110.6° |
| O01 | C02 | O28 | 116.1° | 120.0° |
| O01 | C02 | N03 | 120.6° | 120.0° |
| N15 | C16 | C17 | 105.7° | 105.5° |
| N15 | C16 | H15 | 110.4° | 110.3° |
| N15 | C16 | H16 | 110.4° | 110.3° |
| C16 | N15 | H40 | 126.7° | 124.4° |
| O28 | C02 | N03 | 123.3° | 120.0° |
| C02 | N03 | C04 | 121.6° | 120.0° |
| C02 | N03 | H38 | 119.2° | 120.0° |
| C12 | C13 | C17 | 113.8° | 110.5° |
| C13 | C12 | C11 | 112.4° | 109.5° |
| C13 | C12 | H12 | 108.7° | 109.5° |
| C13 | C12 | H13 | 108.7° | 109.5° |
| C12 | C13 | H14 | 108.8° | 110.4° |
| C13 | C17 | C16 | 105.6° | 101.7° |
| C17 | C13 | H14 | 108.9° | 110.5° |
| C13 | C17 | H17 | 110.4° | 111.0° |
| C13 | C17 | H18 | 110.4° | 111.0° |
| C17 | C16 | H15 | 110.4° | 110.2° |
| C17 | C16 | H16 | 110.4° | 110.2° |
| C16 | C17 | H17 | 110.4° | 110.9° |
| C16 | C17 | H18 | 110.4° | 110.9° |
| C08 | C06 | C05 | 109.4° | 109.5° |
| C08 | C06 | C07 | 113.4° | 109.5° |
| C08 | C06 | H4 | 107.9° | 109.5° |
| C06 | C08 | H8 | 109.5° | 109.5° |
| C06 | C08 | H9 | 109.5° | 109.5° |
| C06 | C08 | H10 | 109.4° | 109.5° |
| C12 | C11 | N10 | 110.7° | 109.5° |
| C12 | C11 | C19 | 113.6° | 109.5° |
| C12 | C11 | H11 | 109.3° | 109.5° |
| C11 | C12 | H12 | 108.7° | 109.4° |
| C11 | C12 | H13 | 108.7° | 109.4° |
| N03 | C04 | C09 | 109.7° | 109.5° |
| N03 | C04 | C05 | 110.7° | 109.5° |
| N03 | C04 | H1 | 111.0° | 109.5° |
| C04 | N03 | H38 | 119.2° | 120.0° |
| C09 | C04 | C05 | 106.4° | 109.5° |
| C04 | C09 | N10 | 123.8° | 120.1° |
| C04 | C09 | O27 | 116.9° | 119.9° |
| C09 | C04 | H1 | 109.6° | 109.4° |
| C04 | C05 | C06 | 111.5° | 109.5° |
| C05 | C04 | H1 | 109.3° | 109.4° |
| C04 | C05 | H2 | 108.9° | 109.4° |
| C04 | C05 | H3 | 109.0° | 109.5° |
| C09 | N10 | C11 | 124.5° | 120.0° |
| N10 | C09 | O27 | 119.4° | 120.0° |
| C09 | N10 | H39 | 117.8° | 120.0° |
| N10 | C11 | C19 | 102.2° | 109.5° |
| N10 | C11 | H11 | 111.3° | 109.4° |
| C11 | N10 | H39 | 117.7° | 120.0° |
| C05 | C06 | C07 | 110.9° | 109.5° |
| C06 | C05 | H2 | 108.9° | 109.5° |
| C06 | C05 | H3 | 109.0° | 109.4° |
| C05 | C06 | H4 | 107.7° | 109.4° |
| C07 | C06 | H4 | 107.3° | 109.5° |
| C06 | C07 | H5 | 109.5° | 109.5° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| C11 | C19 | O20 | 102.1° | 109.4° |
| C11 | C19 | C21 | 111.4° | 109.4° |
| C19 | C11 | H11 | 109.7° | 109.5° |
| C11 | C19 | S1 | 90.5° | 109.5° |
| O20 | C19 | C21 | 103.7° | 109.5° |
| C19 | O20 | H42 | 109.5° | 114.0° |
| O20 | C19 | S1 | 143.4° | 109.5° |
| C19 | C21 | O26 | 118.6° | 120.0° |
| C19 | C21 | N22 | 121.6° | 120.0° |
| C21 | C19 | S1 | 103.3° | 109.5° |
| O26 | C21 | N22 | 119.6° | 120.0° |
| C21 | N22 | C23 | 124.9° | 120.0° |
| C21 | N22 | H41 | 117.6° | 120.0° |
| N22 | C23 | C24 | 118.5° | 117.5° |
| N22 | C23 | C25 | 117.3° | 117.5° |
| N22 | C23 | H20 | 118.0° | 115.6° |
| C23 | N22 | H41 | 117.6° | 120.0° |
| C24 | C23 | C25 | 58.1° | 60.0° |
| C23 | C24 | C25 | 61.5° | 60.0° |
| C24 | C23 | H20 | 115.7° | 117.5° |
| C23 | C24 | H21 | 119.7° | 117.5° |
| C23 | C24 | H22 | 119.8° | 117.5° |
| C23 | C25 | C24 | 60.4° | 60.0° |
| C25 | C23 | H20 | 115.4° | 117.5° |
| C23 | C25 | H23 | 119.9° | 117.5° |
| C23 | C25 | H24 | 120.0° | 117.5° |
| C25 | C24 | H21 | 119.7° | 117.5° |
| C25 | C24 | H22 | 119.8° | 117.5° |
| C24 | C25 | H23 | 119.9° | 117.4° |
| C24 | C25 | H24 | 119.9° | 117.5° |
| H2 | C05 | H3 | 109.5° | 109.4° |
| H5 | C07 | H6 | 109.5° | 109.4° |
| H5 | C07 | H7 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H8 | C08 | H10 | 109.5° | 109.4° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.4° | 110.2° |
| H17 | C17 | H18 | 109.5° | 110.9° |
| H21 | C24 | H22 | 109.5° | 115.5° |
| H23 | C25 | H24 | 109.5° | 115.6° |
| H25 | C29 | H26 | 109.4° | 109.4° |
| H27 | C31 | H28 | 109.5° | 109.5° |
| H27 | C31 | H29 | 109.4° | 109.4° |
| H28 | C31 | H29 | 109.5° | 109.5° |
| H30 | C32 | H31 | 109.4° | 109.5° |
| H30 | C32 | H32 | 109.5° | 109.5° |
| H31 | C32 | H32 | 109.4° | 109.5° |
| C19 | S1 | O3 | 90.0° | 104.5° |
| C19 | S1 | O2 | 90.0° | 110.6° |
| C19 | S1 | O1 | 90.0° | 110.5° |
| O3 | S1 | O2 | 90.0° | 104.3° |
| O3 | S1 | O1 | 90.0° | 104.3° |
| S1 | O3 | H19 | 90.0° | 114.0° |
| O2 | S1 | O1 | 90.0° | 121.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S33 | C34 | C35 | C39 | 179.6° | 179.7° |
| S33 | C34 | C35 | C36 | 179.8° | 179.7° |
| S33 | C34 | C39 | C38 | 179.9° | 179.7° |
| C34 | S33 | C30 | C32 | 176.3° | 59.6° |
| C34 | S33 | C30 | C29 | 57.9° | 179.6° |
| C34 | S33 | C30 | C31 | 61.8° | 60.4° |
| S33 | C34 | C35 | H33 | 0.2° | 0.4° |
| S33 | C34 | C39 | H37 | 0.1° | 0.3° |
| C30 | S33 | C34 | C35 | 81.8° | 1.2° |
| C30 | S33 | C34 | C39 | 97.8° | 178.5° |
| S33 | C30 | C32 | C29 | 115.1° | 120.0° |
| S33 | C30 | C32 | C31 | 116.4° | 120.0° |
| S33 | C30 | C29 | C31 | 115.9° | 120.0° |
| S33 | C30 | C29 | O28 | 161.2° | 180.0° |
| S33 | C30 | C29 | H25 | 41.0° | 60.0° |
| S33 | C30 | C29 | H26 | 78.6° | 60.0° |
| S33 | C30 | C31 | H27 | 180.0° | 167.4° |
| S33 | C30 | C31 | H28 | 60.0° | 47.3° |
| S33 | C30 | C31 | H29 | 60.0° | 72.7° |
| S33 | C30 | C32 | H30 | 180.0° | 61.8° |
| S33 | C30 | C32 | H31 | 60.0° | 58.1° |
| S33 | C30 | C32 | H32 | 60.0° | 178.2° |
| C34 | C35 | C36 | H33 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.1° | 0.1° |
| C35 | C34 | C39 | C38 | 0.5° | 0.0° |
| C34 | C35 | C36 | H34 | 179.9° | 180.0° |
| C35 | C34 | C39 | H37 | 179.5° | 180.0° |
| C36 | C35 | C34 | C39 | 0.6° | 0.0° |
| C35 | C36 | C37 | H34 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.5° | 0.1° |
| C35 | C36 | C37 | H35 | 179.5° | 180.0° |
| C34 | C39 | C38 | H37 | 180.0° | 179.9° |
| C34 | C39 | C38 | C37 | 0.0° | 0.1° |
| C39 | C34 | C35 | H33 | 179.4° | 179.9° |
| C34 | C39 | C38 | H36 | 179.9° | 179.9° |
| C36 | C37 | C38 | C39 | 0.5° | 0.1° |
| C36 | C37 | C38 | H35 | 180.0° | 179.9° |
| C37 | C36 | C35 | H33 | 179.9° | 179.9° |
| C36 | C37 | C38 | H36 | 179.5° | 180.0° |
| C39 | C38 | C37 | H36 | 180.0° | 179.9° |
| C39 | C38 | C37 | H35 | 179.5° | 180.0° |
| C32 | C30 | C29 | C31 | 129.8° | 120.0° |
| C32 | C30 | C29 | O28 | 84.5° | 60.0° |
| C32 | C30 | C29 | H25 | 155.3° | 180.0° |
| C32 | C30 | C29 | H26 | 35.7° | 60.0° |
| C32 | C30 | C31 | H27 | 64.2° | 47.4° |
| C32 | C30 | C31 | H28 | 55.8° | 72.7° |
| C32 | C30 | C31 | H29 | 175.8° | 167.3° |
| C30 | C32 | H30 | H31 | 120.0° | 120.0° |
| C30 | C32 | H30 | H32 | 120.0° | 120.0° |
| C30 | C32 | H31 | H32 | 120.0° | 120.0° |
| C38 | C37 | C36 | H34 | 179.5° | 180.0° |
| C37 | C38 | C39 | H37 | 179.9° | 180.0° |
| C30 | C29 | O28 | H25 | 120.2° | 120.0° |
| C30 | C29 | O28 | H26 | 120.2° | 120.0° |
| C30 | C29 | O28 | C02 | 121.2° | 180.0° |
| C30 | C29 | H25 | H26 | 119.4° | 120.0° |
| C29 | C30 | C31 | H27 | 63.9° | 72.6° |
| C29 | C30 | C31 | H28 | 176.0° | 167.3° |
| C29 | C30 | C31 | H29 | 56.1° | 47.3° |
| C29 | C30 | C32 | H30 | 64.8° | 58.1° |
| C29 | C30 | C32 | H31 | 55.1° | 178.1° |
| C29 | C30 | C32 | H32 | 175.1° | 61.9° |
| C31 | C30 | C29 | O28 | 45.3° | 60.0° |
| C31 | C30 | C29 | H25 | 74.9° | 60.0° |
| C31 | C30 | C29 | H26 | 165.5° | 180.0° |
| C30 | C31 | H27 | H28 | 120.0° | 120.1° |
| C30 | C31 | H27 | H29 | 120.0° | 119.9° |
| C30 | C31 | H28 | H29 | 120.0° | 120.0° |
| C31 | C30 | C32 | H30 | 63.7° | 178.1° |
| C31 | C30 | C32 | H31 | 176.4° | 61.9° |
| C31 | C30 | C32 | H32 | 56.4° | 58.2° |
| O18 | C14 | N15 | C13 | 178.2° | 180.0° |
| O18 | C14 | N15 | C16 | 178.8° | 179.6° |
| O18 | C14 | C13 | C12 | 43.5° | 45.1° |
| O18 | C14 | C13 | C17 | 166.3° | 163.8° |
| O18 | C14 | C13 | H14 | 79.1° | 77.5° |
| O18 | C14 | N15 | H40 | 1.2° | 0.5° |
| C29 | O28 | C02 | O01 | 28.0° | 0.3° |
| C29 | O28 | C02 | N03 | 150.6° | 179.9° |
| O28 | C29 | H25 | H26 | 119.4° | 120.0° |
| C14 | N15 | C16 | H40 | 180.0° | 179.9° |
| N15 | C14 | C13 | C12 | 138.3° | 134.9° |
| N15 | C14 | C13 | C17 | 15.5° | 16.2° |
| C14 | N15 | C16 | C17 | 14.7° | 17.0° |
| N15 | C14 | C13 | H14 | 99.1° | 102.5° |
| C14 | N15 | C16 | H15 | 104.7° | 136.0° |
| C14 | N15 | C16 | H16 | 134.1° | 102.0° |
| C13 | C14 | N15 | C16 | 0.6° | 0.4° |
| C14 | C13 | C12 | C17 | 115.5° | 114.8° |
| C14 | C13 | C12 | H14 | 122.9° | 122.7° |
| C14 | C13 | C17 | H14 | 114.9° | 118.8° |
| C14 | C13 | C17 | C16 | 23.1° | 24.8° |
| C14 | C13 | C12 | C11 | 178.6° | 82.1° |
| C14 | C13 | C12 | H12 | 58.1° | 37.9° |
| C14 | C13 | C12 | H13 | 61.0° | 158.0° |
| C14 | C13 | C17 | H17 | 96.3° | 93.3° |
| C14 | C13 | C17 | H18 | 142.5° | 142.9° |
| C13 | C14 | N15 | H40 | 179.4° | 179.5° |
| O01 | C02 | O28 | N03 | 178.6° | 179.6° |
| O01 | C02 | N03 | C04 | 3.4° | 0.1° |
| O01 | C02 | N03 | H38 | 176.6° | 180.0° |
| N15 | C16 | C17 | C13 | 24.2° | 25.4° |
| N15 | C16 | C17 | H15 | 119.4° | 119.0° |
| N15 | C16 | C17 | H16 | 119.4° | 119.1° |
| N15 | C16 | H15 | H16 | 121.8° | 122.0° |
| N15 | C16 | C17 | H17 | 95.1° | 92.7° |
| N15 | C16 | C17 | H18 | 143.6° | 143.6° |
| O28 | C02 | N03 | C04 | 175.1° | 179.7° |
| C02 | O28 | C29 | H25 | 118.6° | 60.0° |
| C02 | O28 | C29 | H26 | 1.0° | 59.9° |
| O28 | C02 | N03 | H38 | 4.9° | 0.4° |
| C02 | N03 | C04 | H38 | 180.0° | 179.9° |
| C02 | N03 | C04 | C09 | 77.9° | 155.0° |
| C02 | N03 | C04 | C05 | 165.1° | 84.9° |
| C02 | N03 | C04 | H1 | 43.5° | 35.0° |
| C12 | C13 | C17 | H14 | 121.6° | 122.5° |
| C12 | C13 | C17 | C16 | 146.6° | 143.5° |
| C13 | C12 | C11 | H12 | 120.4° | 120.0° |
| C13 | C12 | C11 | H13 | 120.4° | 120.0° |
| C13 | C12 | C11 | N10 | 70.2° | 66.3° |
| C13 | C12 | C11 | C19 | 175.6° | 173.7° |
| C13 | C12 | C11 | H11 | 52.7° | 53.7° |
| C13 | C12 | H12 | H13 | 118.6° | 120.1° |
| C12 | C13 | C17 | H17 | 27.3° | 25.4° |
| C12 | C13 | C17 | H18 | 94.0° | 98.4° |
| C13 | C17 | C16 | H17 | 119.4° | 118.1° |
| C13 | C17 | C16 | H18 | 119.4° | 118.2° |
| C17 | C13 | C12 | C11 | 63.1° | 163.1° |
| C17 | C13 | C12 | H12 | 57.4° | 76.9° |
| C17 | C13 | C12 | H13 | 176.5° | 43.2° |
| C13 | C17 | C16 | H15 | 95.2° | 144.4° |
| C13 | C17 | C16 | H16 | 143.7° | 93.7° |
| C13 | C17 | H17 | H18 | 121.8° | 123.9° |
| C16 | C17 | C13 | H14 | 91.8° | 94.0° |
| C17 | C16 | H15 | H16 | 121.7° | 121.9° |
| C16 | C17 | H17 | H18 | 121.8° | 123.8° |
| C17 | C16 | N15 | H40 | 165.3° | 162.9° |
| C08 | C06 | C05 | C04 | 71.9° | 65.0° |
| C08 | C06 | C05 | C07 | 125.8° | 120.0° |
| C08 | C06 | C05 | H4 | 117.1° | 120.0° |
| C08 | C06 | C07 | H4 | 119.1° | 120.0° |
| C08 | C06 | C05 | H2 | 167.8° | 175.0° |
| C08 | C06 | C05 | H3 | 48.4° | 55.0° |
| C08 | C06 | C07 | H5 | 180.0° | 60.0° |
| C08 | C06 | C07 | H6 | 60.0° | 60.0° |
| C08 | C06 | C07 | H7 | 60.0° | 180.0° |
| C06 | C08 | H8 | H9 | 120.0° | 120.0° |
| C06 | C08 | H8 | H10 | 120.0° | 120.0° |
| C06 | C08 | H9 | H10 | 120.0° | 120.0° |
| C12 | C11 | N10 | C09 | 120.3° | 104.3° |
| C12 | C11 | N10 | C19 | 121.3° | 120.0° |
| C12 | C11 | N10 | H11 | 121.8° | 120.0° |
| C12 | C11 | C19 | H11 | 122.6° | 120.0° |
| C12 | C11 | C19 | O20 | 168.7° | 54.5° |
| C12 | C11 | C19 | C21 | 81.2° | 174.4° |
| C11 | C12 | H12 | H13 | 118.7° | 120.0° |
| C11 | C12 | C13 | H14 | 58.6° | 40.5° |
| C12 | C11 | N10 | H39 | 59.7° | 75.8° |
| C12 | C11 | C19 | S1 | 23.3° | 65.5° |
| N03 | C04 | C09 | C05 | 119.7° | 120.1° |
| N03 | C04 | C09 | H1 | 122.1° | 120.0° |
| N03 | C04 | C05 | H1 | 122.6° | 120.0° |
| N03 | C04 | C09 | N10 | 147.4° | 180.0° |
| N03 | C04 | C05 | C06 | 71.1° | 65.0° |
| N03 | C04 | C09 | O27 | 31.3° | 0.1° |
| N03 | C04 | C05 | H2 | 49.2° | 55.0° |
| N03 | C04 | C05 | H3 | 168.6° | 175.0° |
| C09 | C04 | C05 | H1 | 118.3° | 119.9° |
| C04 | C09 | N10 | O27 | 178.7° | 180.0° |
| C04 | C09 | N10 | C11 | 176.4° | 174.4° |
| C09 | C04 | C05 | C06 | 169.8° | 174.9° |
| C09 | C04 | C05 | H2 | 69.9° | 65.0° |
| C09 | C04 | C05 | H3 | 49.5° | 54.9° |
| C09 | C04 | N03 | H38 | 102.1° | 25.1° |
| C04 | C09 | N10 | H39 | 3.6° | 5.5° |
| C05 | C04 | C09 | N10 | 92.8° | 59.9° |
| C04 | C05 | C06 | H2 | 120.3° | 120.0° |
| C04 | C05 | C06 | H3 | 120.3° | 120.1° |
| C04 | C05 | C06 | C07 | 162.3° | 175.0° |
| C05 | C04 | C09 | O27 | 88.4° | 120.0° |
| C04 | C05 | H2 | H3 | 119.1° | 120.0° |
| C04 | C05 | C06 | H4 | 45.2° | 55.0° |
| C05 | C04 | N03 | H38 | 14.9° | 95.0° |
| C09 | N10 | C11 | H39 | 180.0° | 179.9° |
| C09 | N10 | C11 | C19 | 118.4° | 135.7° |
| N10 | C09 | C04 | H1 | 25.3° | 60.0° |
| C09 | N10 | C11 | H11 | 1.4° | 15.8° |
| C11 | N10 | C09 | O27 | 4.8° | 5.5° |
| N10 | C11 | C19 | H11 | 118.1° | 120.0° |
| N10 | C11 | C19 | O20 | 49.5° | 65.5° |
| N10 | C11 | C19 | C21 | 159.6° | 54.5° |
| N10 | C11 | C12 | H12 | 169.4° | 53.7° |
| N10 | C11 | C12 | H13 | 50.3° | 173.7° |
| N10 | C11 | C19 | S1 | 95.9° | 174.5° |
| C05 | C06 | C07 | H4 | 117.4° | 120.0° |
| C06 | C05 | C04 | H1 | 51.5° | 55.0° |
| C06 | C05 | H2 | H3 | 119.1° | 119.9° |
| C05 | C06 | C07 | H5 | 56.4° | 60.0° |
| C05 | C06 | C07 | H6 | 63.6° | 180.0° |
| C05 | C06 | C07 | H7 | 176.4° | 60.0° |
| C05 | C06 | C08 | H8 | 180.0° | 60.0° |
| C05 | C06 | C08 | H9 | 60.0° | 180.0° |
| C05 | C06 | C08 | H10 | 60.0° | 60.0° |
| C07 | C06 | C05 | H2 | 42.0° | 55.0° |
| C07 | C06 | C05 | H3 | 77.4° | 65.0° |
| C06 | C07 | H5 | H6 | 120.0° | 120.0° |
| C06 | C07 | H5 | H7 | 120.0° | 120.0° |
| C06 | C07 | H6 | H7 | 120.0° | 120.0° |
| C07 | C06 | C08 | H8 | 55.6° | 180.0° |
| C07 | C06 | C08 | H9 | 64.4° | 60.0° |
| C07 | C06 | C08 | H10 | 175.6° | 60.0° |
| O27 | C09 | C04 | H1 | 153.5° | 120.1° |
| O27 | C09 | N10 | H39 | 175.2° | 174.5° |
| C11 | C19 | O20 | C21 | 115.8° | 120.0° |
| C11 | C19 | O20 | S1 | 107.6° | 120.0° |
| C11 | C19 | C21 | S1 | 95.8° | 120.0° |
| C11 | C19 | C21 | O26 | 66.6° | 120.0° |
| C11 | C19 | C21 | N22 | 108.4° | 60.1° |
| C19 | C11 | C12 | H12 | 55.1° | 66.3° |
| C19 | C11 | C12 | H13 | 64.0° | 53.7° |
| C19 | C11 | N10 | H39 | 61.6° | 44.2° |
| C11 | C19 | O20 | H42 | 180.0° | 60.0° |
| C11 | C19 | S1 | O3 | 90.0° | 58.1° |
| C11 | C19 | S1 | O2 | 90.0° | 53.5° |
| C11 | C19 | S1 | O1 | 90.0° | 169.8° |
| O20 | C19 | C21 | S1 | 155.1° | 120.1° |
| O20 | C19 | C21 | O26 | 175.7° | 0.1° |
| O20 | C19 | C21 | N22 | 0.7° | 180.0° |
| O20 | C19 | C11 | H11 | 68.7° | 174.5° |
| O20 | C19 | S1 | O3 | 90.0° | 178.1° |
| O20 | C19 | S1 | O2 | 90.0° | 66.4° |
| O20 | C19 | S1 | O1 | 90.0° | 70.3° |
| C19 | C21 | O26 | N22 | 175.1° | 179.9° |
| C19 | C21 | N22 | C23 | 178.7° | 180.0° |
| C21 | C19 | C11 | H11 | 41.5° | 65.5° |
| C19 | C21 | N22 | H41 | 1.3° | 0.0° |
| C21 | C19 | O20 | H42 | 64.1° | 59.9° |
| C21 | C19 | S1 | O3 | 90.0° | 61.9° |
| C21 | C19 | S1 | O2 | 90.0° | 173.5° |
| C21 | C19 | S1 | O1 | 90.0° | 49.8° |
| O26 | C21 | N22 | C23 | 3.7° | 0.1° |
| O26 | C21 | N22 | H41 | 176.3° | 180.0° |
| O26 | C21 | C19 | S1 | 29.2° | 120.0° |
| C21 | N22 | C23 | H41 | 180.0° | 180.0° |
| C21 | N22 | C23 | C24 | 95.2° | 155.0° |
| C21 | N22 | C23 | C25 | 161.9° | 136.3° |
| C21 | N22 | C23 | H20 | 52.8° | 9.4° |
| N22 | C21 | C19 | S1 | 155.8° | 59.9° |
| N22 | C23 | C24 | C25 | 106.1° | 107.5° |
| N22 | C23 | C24 | H20 | 148.7° | 145.0° |
| N22 | C23 | C25 | H20 | 146.3° | 145.1° |
| N22 | C23 | C24 | H21 | 3.7° | 0.0° |
| N22 | C23 | C24 | H22 | 144.0° | 145.0° |
| N22 | C23 | C25 | H23 | 142.3° | 145.1° |
| N22 | C23 | C25 | H24 | 1.5° | 0.0° |
| C24 | C23 | C25 | H20 | 105.7° | 107.4° |
| C23 | C24 | C25 | H21 | 109.9° | 107.4° |
| C23 | C24 | C25 | H22 | 109.9° | 107.5° |
| C23 | C24 | H21 | H22 | 143.9° | 145.6° |
| C24 | C23 | C25 | H23 | 109.6° | 107.4° |
| C24 | C23 | C25 | H24 | 109.6° | 107.5° |
| C24 | C23 | N22 | H41 | 84.8° | 25.0° |
| C23 | C25 | H23 | H24 | 144.5° | 145.7° |
| C25 | C23 | N22 | H41 | 18.1° | 43.6° |
| C25 | C24 | H21 | H22 | 143.9° | 145.8° |
| C24 | C25 | H23 | H24 | 144.5° | 145.6° |
| H1 | C04 | C05 | H2 | 171.8° | 175.1° |
| H1 | C04 | C05 | H3 | 68.8° | 65.0° |
| H1 | C04 | N03 | H38 | 136.5° | 145.1° |
| H2 | C05 | C06 | H4 | 75.1° | 65.0° |
| H3 | C05 | C06 | H4 | 165.5° | 175.1° |
| H4 | C06 | C07 | H5 | 60.9° | 180.0° |
| H4 | C06 | C07 | H6 | 179.1° | 60.1° |
| H4 | C06 | C07 | H7 | 59.1° | 60.0° |
| H4 | C06 | C08 | H8 | 63.1° | 60.0° |
| H4 | C06 | C08 | H9 | 176.9° | 60.0° |
| H4 | C06 | C08 | H10 | 56.9° | 180.0° |
| H5 | C07 | H6 | H7 | 120.0° | 120.0° |
| H8 | C08 | H9 | H10 | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 67.7° | 173.7° |
| H11 | C11 | C12 | H13 | 173.2° | 66.3° |
| H11 | C11 | N10 | H39 | 178.6° | 164.2° |
| H11 | C11 | C19 | S1 | 146.0° | 54.5° |
| H12 | C12 | C13 | H14 | 179.0° | 160.5° |
| H13 | C12 | C13 | H14 | 61.9° | 79.4° |
| H14 | C13 | C17 | H17 | 148.9° | 147.9° |
| H14 | C13 | C17 | H18 | 27.6° | 24.1° |
| H15 | C16 | C17 | H17 | 145.4° | 26.3° |
| H15 | C16 | C17 | H18 | 24.2° | 97.4° |
| H15 | C16 | N15 | H40 | 75.3° | 43.9° |
| H16 | C16 | C17 | H17 | 24.3° | 148.2° |
| H16 | C16 | C17 | H18 | 96.9° | 24.5° |
| H16 | C16 | N15 | H40 | 45.9° | 78.0° |
| H20 | C23 | C24 | H21 | 145.0° | 144.9° |
| H20 | C23 | C24 | H22 | 4.7° | 0.0° |
| H20 | C23 | C25 | H23 | 3.9° | 0.0° |
| H20 | C23 | C25 | H24 | 144.8° | 145.0° |
| H20 | C23 | N22 | H41 | 127.2° | 170.6° |
| H21 | C24 | C25 | H23 | 140.6° | 145.0° |
| H21 | C24 | C25 | H24 | 0.3° | 0.1° |
| H22 | C24 | C25 | H23 | 0.3° | 0.1° |
| H22 | C24 | C25 | H24 | 140.5° | 145.0° |
| H27 | C31 | H28 | H29 | 119.9° | 119.9° |
| H30 | C32 | H31 | H32 | 120.0° | 120.0° |
| H33 | C35 | C36 | H34 | 0.1° | 0.0° |
| H34 | C36 | C37 | H35 | 0.5° | 0.1° |
| H35 | C37 | C38 | H36 | 0.5° | 0.1° |
| H36 | C38 | C39 | H37 | 0.1° | 0.1° |
| H42 | O20 | C19 | S1 | 72.4° | 180.0° |
| C19 | S1 | O3 | O2 | 90.0° | 116.1° |
| C19 | S1 | O3 | O1 | 90.0° | 116.0° |
| C19 | S1 | O2 | O1 | 90.0° | 131.5° |
| C19 | S1 | O3 | H19 | 90.0° | 180.0° |
| O3 | S1 | O2 | O1 | 90.0° | 116.8° |
| O2 | S1 | O3 | H19 | 90.0° | 63.9° |
| O1 | S1 | O3 | H19 | 90.0° | 63.9° |
