O7S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | doub | 1.31Å | 1.34Å | |
| C30 | C28 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.51Å | 1.50Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | C27 | sing | 1.53Å | 1.55Å | |
| C23 | C27 | sing | 1.53Å | 1.55Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C27 | O31 | sing | 1.45Å | 1.41Å | |
| O31 | C32 | sing | 1.34Å | 1.33Å | |
| C22 | C21 | doub | 1.33Å | 1.34Å | |
| C21 | C02 | sing | 1.47Å | 1.43Å | |
| C32 | C33 | sing | 1.50Å | 1.51Å | |
| C32 | O40 | doub | 1.21Å | 1.23Å | |
| C33 | C39 | sing | 1.53Å | 1.53Å | |
| C33 | N34 | sing | 1.47Å | 1.47Å | |
| C39 | C38 | sing | 1.54Å | 1.50Å | |
| O36 | C35 | doub | 1.22Å | 1.23Å | |
| C38 | C37 | sing | 1.53Å | 1.50Å | |
| N34 | C35 | sing | 1.34Å | 1.36Å | |
| N34 | C37 | sing | 1.46Å | 1.46Å | |
| C02 | N03 | sing | 1.36Å | 1.33Å | |
| C02 | O01 | doub | 1.22Å | 1.23Å | |
| C35 | C17 | sing | 1.46Å | 1.43Å | |
| N03 | C04 | sing | 1.48Å | 1.45Å | |
| C17 | C18 | doub | 1.35Å | 1.39Å | Aromatic |
| C17 | N16 | sing | 1.37Å | 1.31Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.51Å | |
| C18 | O19 | sing | 1.35Å | 1.35Å | Aromatic |
| C05 | C06 | doub | 1.33Å | 1.34Å | |
| N16 | C15 | doub | 1.30Å | 1.30Å | Aromatic |
| O19 | C15 | sing | 1.34Å | 1.35Å | Aromatic |
| C08 | C07 | sing | 1.50Å | 1.51Å | |
| C06 | C07 | sing | 1.48Å | 1.45Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C07 | C09 | doub | 1.33Å | 1.34Å | |
| F13 | C12 | sing | 1.40Å | 1.33Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C09 | C10 | sing | 1.50Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | O20 | sing | 1.43Å | 1.40Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| N03 | H9 | sing | 0.97Å | 1.00Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.08Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| O20 | H24 | sing | 0.97Å | 0.95Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C24 | 123.1° | 120.0° |
| C25 | C26 | H6 | 120.0° | 120.0° |
| C25 | C26 | H7 | 120.0° | 120.0° |
| C26 | C25 | H26 | 118.5° | 120.0° |
| C30 | C28 | C29 | 108.8° | 109.4° |
| C30 | C28 | C27 | 113.0° | 109.5° |
| C30 | C28 | H8 | 107.6° | 109.5° |
| C28 | C30 | H31 | 109.5° | 109.5° |
| C28 | C30 | H32 | 109.5° | 109.5° |
| C28 | C30 | H33 | 109.5° | 109.5° |
| C25 | C24 | C23 | 114.7° | 109.4° |
| C25 | C24 | H4 | 108.2° | 109.5° |
| C25 | C24 | H5 | 108.1° | 109.5° |
| C24 | C25 | H26 | 118.5° | 120.0° |
| C24 | C23 | C27 | 112.9° | 109.5° |
| C24 | C23 | C22 | 114.7° | 109.5° |
| C23 | C24 | H4 | 108.1° | 109.4° |
| C23 | C24 | H5 | 108.2° | 109.5° |
| C24 | C23 | H25 | 106.0° | 109.4° |
| C29 | C28 | C27 | 112.2° | 109.4° |
| C29 | C28 | H8 | 107.5° | 109.5° |
| C28 | C29 | H28 | 109.5° | 109.5° |
| C28 | C29 | H29 | 109.5° | 109.5° |
| C28 | C29 | H30 | 109.5° | 109.5° |
| C28 | C27 | C23 | 117.5° | 109.2° |
| C28 | C27 | O31 | 107.3° | 109.2° |
| C27 | C28 | H8 | 107.4° | 109.5° |
| C28 | C27 | H27 | 107.4° | 109.2° |
| C27 | C23 | C22 | 110.5° | 109.5° |
| C23 | C27 | O31 | 108.1° | 110.9° |
| C27 | C23 | H25 | 105.8° | 109.5° |
| C23 | C27 | H27 | 107.3° | 109.2° |
| C23 | C22 | C21 | 126.3° | 120.6° |
| C23 | C22 | H3 | 116.8° | 120.6° |
| C22 | C23 | H25 | 106.2° | 109.4° |
| C27 | O31 | C32 | 121.7° | 116.1° |
| O31 | C27 | H27 | 109.1° | 109.1° |
| O31 | C32 | C33 | 109.9° | 122.3° |
| O31 | C32 | O40 | 125.9° | 118.8° |
| C22 | C21 | C02 | 121.9° | 118.9° |
| C22 | C21 | H2 | 119.0° | 122.1° |
| C21 | C22 | H3 | 116.8° | 118.8° |
| C21 | C02 | N03 | 112.6° | 119.0° |
| C21 | C02 | O01 | 123.9° | 120.5° |
| C02 | C21 | H2 | 119.0° | 119.0° |
| C33 | C32 | O40 | 124.1° | 118.9° |
| C32 | C33 | C39 | 109.8° | 110.4° |
| C32 | C33 | N34 | 117.3° | 109.6° |
| C32 | C33 | H34 | 108.4° | 111.0° |
| C39 | C33 | N34 | 103.7° | 107.3° |
| C33 | C39 | C38 | 105.0° | 104.8° |
| C39 | C33 | H34 | 108.1° | 110.0° |
| C33 | C39 | H39 | 110.6° | 110.4° |
| C33 | C39 | H40 | 110.6° | 110.3° |
| C33 | N34 | C35 | 123.0° | 124.5° |
| C33 | N34 | C37 | 109.3° | 109.0° |
| N34 | C33 | H34 | 109.0° | 108.5° |
| C39 | C38 | C37 | 101.2° | 106.1° |
| C39 | C38 | H37 | 111.5° | 110.2° |
| C39 | C38 | H38 | 111.5° | 110.1° |
| C38 | C39 | H39 | 110.6° | 110.4° |
| C38 | C39 | H40 | 110.6° | 110.3° |
| O36 | C35 | N34 | 122.8° | 116.9° |
| O36 | C35 | C17 | 119.3° | 116.9° |
| C38 | C37 | N34 | 105.4° | 108.3° |
| C38 | C37 | H35 | 110.5° | 109.7° |
| C38 | C37 | H36 | 110.5° | 109.7° |
| C37 | C38 | H37 | 111.5° | 110.2° |
| C37 | C38 | H38 | 111.5° | 110.1° |
| C35 | N34 | C37 | 127.5° | 126.5° |
| N34 | C35 | C17 | 117.9° | 126.2° |
| N34 | C37 | H35 | 110.5° | 109.7° |
| N34 | C37 | H36 | 110.5° | 109.7° |
| N03 | C02 | O01 | 123.5° | 120.5° |
| C02 | N03 | C04 | 125.2° | 116.9° |
| C02 | N03 | H9 | 117.4° | 121.6° |
| C35 | C17 | C18 | 126.4° | 129.3° |
| C35 | C17 | N16 | 124.9° | 123.5° |
| N03 | C04 | C05 | 111.8° | 107.1° |
| C04 | N03 | H9 | 117.4° | 121.6° |
| N03 | C04 | H10 | 108.9° | 109.9° |
| N03 | C04 | H11 | 108.9° | 109.9° |
| C18 | C17 | N16 | 108.4° | 107.0° |
| C17 | C18 | O19 | 108.0° | 107.2° |
| C17 | C18 | H23 | 126.0° | 126.4° |
| C17 | N16 | C15 | 105.7° | 108.1° |
| C04 | C05 | C06 | 124.6° | 120.9° |
| C05 | C04 | H10 | 108.9° | 109.9° |
| C05 | C04 | H11 | 108.9° | 109.9° |
| C04 | C05 | H12 | 117.7° | 120.8° |
| C18 | O19 | C15 | 102.8° | 108.1° |
| O19 | C18 | H23 | 126.0° | 126.4° |
| C05 | C06 | C07 | 125.6° | 118.9° |
| C06 | C05 | H12 | 117.7° | 118.4° |
| C05 | C06 | H13 | 117.2° | 122.2° |
| N16 | C15 | O19 | 114.3° | 109.4° |
| N16 | C15 | C14 | 126.0° | 124.1° |
| O19 | C15 | C14 | 119.7° | 126.6° |
| C08 | C07 | C06 | 120.7° | 119.2° |
| C08 | C07 | C09 | 121.7° | 120.6° |
| C07 | C08 | H14 | 109.5° | 109.5° |
| C07 | C08 | H15 | 109.4° | 109.5° |
| C07 | C08 | H16 | 109.4° | 109.5° |
| C06 | C07 | C09 | 117.5° | 120.2° |
| C07 | C06 | H13 | 117.2° | 118.9° |
| C15 | C14 | C12 | 112.9° | 108.4° |
| C15 | C14 | H21 | 108.6° | 109.6° |
| C15 | C14 | H22 | 108.6° | 109.6° |
| C07 | C09 | C10 | 129.2° | 121.4° |
| C07 | C09 | H17 | 115.4° | 118.1° |
| F13 | C12 | C14 | 111.0° | 109.3° |
| F13 | C12 | C11 | 110.6° | 109.3° |
| F13 | C12 | H20 | 109.1° | 109.2° |
| C14 | C12 | C11 | 112.9° | 110.6° |
| C14 | C12 | H20 | 106.4° | 109.3° |
| C12 | C14 | H21 | 108.6° | 109.7° |
| C12 | C14 | H22 | 108.6° | 109.6° |
| C12 | C11 | C10 | 113.3° | 110.5° |
| C12 | C11 | H18 | 108.5° | 109.3° |
| C12 | C11 | H19 | 108.5° | 109.2° |
| C11 | C12 | H20 | 106.5° | 109.2° |
| C09 | C10 | C11 | 112.7° | 110.5° |
| C09 | C10 | O20 | 106.6° | 109.3° |
| C09 | C10 | H1 | 109.7° | 109.3° |
| C10 | C09 | H17 | 115.4° | 120.5° |
| C11 | C10 | O20 | 106.9° | 109.3° |
| C11 | C10 | H1 | 109.6° | 109.2° |
| C10 | C11 | H18 | 108.5° | 109.3° |
| C10 | C11 | H19 | 108.5° | 109.3° |
| O20 | C10 | H1 | 111.4° | 109.2° |
| C10 | O20 | H24 | 109.5° | 114.0° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H6 | C26 | H7 | 120.0° | 120.0° |
| H10 | C04 | H11 | 109.5° | 110.0° |
| H14 | C08 | H15 | 109.5° | 109.5° |
| H14 | C08 | H16 | 109.5° | 109.5° |
| H15 | C08 | H16 | 109.5° | 109.4° |
| H18 | C11 | H19 | 109.5° | 109.3° |
| H21 | C14 | H22 | 109.5° | 109.8° |
| H28 | C29 | H29 | 109.4° | 109.4° |
| H28 | C29 | H30 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.4° | 109.4° |
| H31 | C30 | H32 | 109.4° | 109.4° |
| H31 | C30 | H33 | 109.5° | 109.4° |
| H32 | C30 | H33 | 109.4° | 109.5° |
| H35 | C37 | H36 | 109.5° | 109.7° |
| H37 | C38 | H38 | 109.5° | 110.1° |
| H39 | C39 | H40 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C24 | H26 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 93.6° | 125.0° |
| C26 | C25 | C24 | H4 | 27.2° | 5.0° |
| C26 | C25 | C24 | H5 | 145.7° | 115.0° |
| C25 | C26 | H6 | H7 | 180.0° | 180.0° |
| C30 | C28 | C29 | C27 | 125.8° | 120.0° |
| C30 | C28 | C29 | H8 | 116.3° | 119.9° |
| C30 | C28 | C27 | H8 | 118.5° | 120.0° |
| C30 | C28 | C27 | C23 | 60.8° | 49.2° |
| C30 | C28 | C27 | O31 | 177.3° | 72.2° |
| C30 | C28 | C27 | H27 | 60.2° | 168.6° |
| C30 | C28 | C29 | H28 | 180.0° | 134.7° |
| C30 | C28 | C29 | H29 | 60.0° | 105.4° |
| C30 | C28 | C29 | H30 | 60.0° | 14.6° |
| C28 | C30 | H31 | H32 | 120.0° | 120.0° |
| C28 | C30 | H31 | H33 | 120.0° | 120.0° |
| C28 | C30 | H32 | H33 | 120.0° | 120.1° |
| C25 | C24 | C23 | H4 | 120.8° | 119.9° |
| C25 | C24 | C23 | H5 | 120.8° | 120.0° |
| C25 | C24 | C23 | C27 | 165.2° | 175.0° |
| C25 | C24 | C23 | C22 | 67.0° | 64.9° |
| C25 | C24 | H4 | H5 | 117.6° | 120.1° |
| C24 | C25 | C26 | H6 | 0.0° | 180.0° |
| C24 | C25 | C26 | H7 | 180.0° | 0.0° |
| C25 | C24 | C23 | H25 | 49.8° | 55.0° |
| C24 | C23 | C27 | C28 | 63.2° | 132.0° |
| C24 | C23 | C27 | C22 | 129.9° | 120.1° |
| C24 | C23 | C27 | H25 | 115.5° | 120.0° |
| C24 | C23 | C22 | H25 | 116.7° | 120.0° |
| C24 | C23 | C27 | O31 | 58.4° | 107.6° |
| C24 | C23 | C22 | C21 | 19.2° | 98.3° |
| C24 | C23 | C22 | H3 | 160.8° | 84.7° |
| C23 | C24 | H4 | H5 | 117.6° | 120.0° |
| C23 | C24 | C25 | H26 | 86.4° | 55.0° |
| C24 | C23 | C27 | H27 | 175.8° | 12.7° |
| C29 | C28 | C27 | H8 | 118.0° | 120.0° |
| C29 | C28 | C27 | C23 | 175.8° | 70.7° |
| C29 | C28 | C27 | O31 | 53.8° | 167.9° |
| C29 | C28 | C27 | H27 | 63.3° | 48.6° |
| C28 | C29 | H28 | H29 | 120.0° | 120.0° |
| C28 | C29 | H28 | H30 | 120.0° | 120.1° |
| C28 | C29 | H29 | H30 | 120.0° | 120.0° |
| C29 | C28 | C30 | H31 | 180.0° | 98.1° |
| C29 | C28 | C30 | H32 | 60.0° | 141.9° |
| C29 | C28 | C30 | H33 | 60.0° | 21.9° |
| C28 | C27 | C23 | O31 | 121.5° | 120.4° |
| C28 | C27 | C23 | H27 | 121.0° | 119.3° |
| C28 | C27 | C23 | C22 | 166.9° | 11.9° |
| C28 | C27 | O31 | H27 | 116.0° | 119.3° |
| C28 | C27 | O31 | C32 | 134.4° | 32.2° |
| C28 | C27 | C23 | H25 | 52.3° | 108.0° |
| C27 | C28 | C29 | H28 | 54.2° | 105.3° |
| C27 | C28 | C29 | H29 | 65.8° | 14.6° |
| C27 | C28 | C29 | H30 | 174.3° | 134.6° |
| C27 | C28 | C30 | H31 | 54.7° | 21.9° |
| C27 | C28 | C30 | H32 | 174.7° | 98.1° |
| C27 | C28 | C30 | H33 | 65.4° | 141.9° |
| C27 | C23 | C22 | H25 | 114.3° | 120.0° |
| C23 | C27 | O31 | H27 | 116.3° | 120.3° |
| C23 | C27 | O31 | C32 | 97.9° | 152.6° |
| C27 | C23 | C22 | C21 | 109.8° | 141.7° |
| C27 | C23 | C22 | H3 | 70.2° | 35.4° |
| C27 | C23 | C24 | H4 | 44.4° | 65.1° |
| C27 | C23 | C24 | H5 | 74.1° | 55.0° |
| C23 | C27 | C28 | H8 | 57.8° | 169.3° |
| C22 | C23 | C27 | O31 | 71.6° | 132.2° |
| C23 | C22 | C21 | H3 | 180.0° | 177.1° |
| C23 | C22 | C21 | C02 | 172.8° | 173.3° |
| C23 | C22 | C21 | H2 | 7.3° | 6.6° |
| C22 | C23 | C24 | H4 | 172.2° | 55.0° |
| C22 | C23 | C24 | H5 | 53.7° | 175.0° |
| C22 | C23 | C27 | H27 | 45.9° | 107.4° |
| C27 | O31 | C32 | C33 | 173.8° | 175.3° |
| C27 | O31 | C32 | O40 | 2.8° | 4.6° |
| O31 | C27 | C28 | H8 | 64.2° | 47.8° |
| O31 | C27 | C23 | H25 | 173.8° | 12.3° |
| O31 | C32 | C33 | O40 | 176.7° | 180.0° |
| O31 | C32 | C33 | C39 | 82.3° | 95.9° |
| O31 | C32 | C33 | N34 | 159.6° | 146.1° |
| C32 | O31 | C27 | H27 | 18.4° | 87.1° |
| O31 | C32 | C33 | H34 | 35.7° | 26.3° |
| C22 | C21 | C02 | H2 | 180.0° | 179.9° |
| C22 | C21 | C02 | N03 | 159.7° | 179.8° |
| C22 | C21 | C02 | O01 | 18.3° | 0.2° |
| C21 | C22 | C23 | H25 | 135.9° | 21.7° |
| C21 | C02 | N03 | O01 | 178.1° | 180.0° |
| C21 | C02 | N03 | C04 | 178.4° | 161.7° |
| C02 | C21 | C22 | H3 | 7.3° | 3.9° |
| C21 | C02 | N03 | H9 | 1.7° | 18.3° |
| C32 | C33 | C39 | N34 | 126.2° | 119.4° |
| C32 | C33 | C39 | H34 | 118.2° | 122.8° |
| C32 | C33 | N34 | H34 | 123.7° | 121.3° |
| C32 | C33 | C39 | C38 | 151.9° | 98.4° |
| C32 | C33 | N34 | C35 | 59.9° | 80.2° |
| C32 | C33 | N34 | C37 | 123.9° | 99.4° |
| C32 | C33 | C39 | H39 | 88.8° | 142.7° |
| C32 | C33 | C39 | H40 | 32.7° | 20.4° |
| O40 | C32 | C33 | C39 | 94.4° | 84.0° |
| O40 | C32 | C33 | N34 | 23.7° | 34.0° |
| O40 | C32 | C33 | H34 | 147.7° | 153.7° |
| C39 | C33 | N34 | H34 | 115.0° | 118.8° |
| C33 | C39 | C38 | H39 | 119.3° | 118.9° |
| C33 | C39 | C38 | H40 | 119.3° | 118.8° |
| C33 | C39 | C38 | C37 | 38.0° | 13.8° |
| C39 | C33 | N34 | C35 | 178.8° | 159.8° |
| C39 | C33 | N34 | C37 | 2.6° | 20.6° |
| C33 | C39 | C38 | H37 | 80.6° | 105.4° |
| C33 | C39 | C38 | H38 | 156.7° | 132.9° |
| C33 | C39 | H39 | H40 | 122.1° | 122.3° |
| N34 | C33 | C39 | C38 | 25.7° | 21.0° |
| C33 | N34 | C35 | O36 | 8.6° | 21.3° |
| C33 | N34 | C37 | C38 | 21.4° | 11.6° |
| C33 | N34 | C35 | C37 | 175.5° | 179.5° |
| C33 | N34 | C35 | C17 | 170.8° | 158.7° |
| C33 | N34 | C37 | H35 | 140.8° | 108.1° |
| C33 | N34 | C37 | H36 | 97.9° | 131.3° |
| N34 | C33 | C39 | H39 | 145.0° | 97.9° |
| N34 | C33 | C39 | H40 | 93.6° | 139.8° |
| C39 | C38 | C37 | H37 | 118.6° | 119.3° |
| C39 | C38 | C37 | H38 | 118.7° | 119.1° |
| C39 | C38 | C37 | N34 | 36.5° | 1.9° |
| C38 | C39 | C33 | H34 | 89.9° | 138.8° |
| C39 | C38 | C37 | H35 | 155.9° | 121.6° |
| C39 | C38 | C37 | H36 | 82.8° | 117.8° |
| C39 | C38 | H37 | H38 | 123.8° | 121.7° |
| C38 | C39 | H39 | H40 | 122.1° | 122.3° |
| O36 | C35 | N34 | C17 | 179.4° | 180.0° |
| O36 | C35 | N34 | C37 | 166.9° | 159.2° |
| O36 | C35 | C17 | C18 | 20.8° | 150.7° |
| O36 | C35 | C17 | N16 | 152.0° | 34.3° |
| C38 | C37 | N34 | C35 | 154.6° | 168.8° |
| C38 | C37 | N34 | H35 | 119.4° | 119.7° |
| C38 | C37 | N34 | H36 | 119.4° | 119.7° |
| C38 | C37 | H35 | H36 | 121.9° | 120.6° |
| C37 | C38 | H37 | H38 | 123.9° | 121.6° |
| C37 | C38 | C39 | H39 | 157.3° | 105.1° |
| C37 | C38 | C39 | H40 | 81.2° | 132.6° |
| N34 | C35 | C17 | C18 | 159.7° | 29.3° |
| N34 | C35 | C17 | N16 | 27.4° | 145.8° |
| C35 | N34 | C33 | H34 | 63.8° | 41.1° |
| C35 | N34 | C37 | H35 | 35.3° | 71.5° |
| C35 | N34 | C37 | H36 | 86.0° | 49.1° |
| C37 | N34 | C35 | C17 | 13.7° | 20.8° |
| C37 | N34 | C33 | H34 | 112.4° | 139.3° |
| N34 | C37 | H35 | H36 | 121.9° | 120.6° |
| N34 | C37 | C38 | H37 | 82.1° | 117.4° |
| N34 | C37 | C38 | H38 | 155.2° | 121.0° |
| C02 | N03 | C04 | H9 | 180.0° | 180.0° |
| C02 | N03 | C04 | C05 | 131.8° | 88.9° |
| N03 | C02 | C21 | H2 | 20.3° | 0.3° |
| C02 | N03 | C04 | H10 | 107.8° | 30.5° |
| C02 | N03 | C04 | H11 | 11.5° | 151.7° |
| O01 | C02 | N03 | C04 | 0.3° | 18.3° |
| O01 | C02 | C21 | H2 | 161.7° | 179.7° |
| O01 | C02 | N03 | H9 | 179.7° | 161.7° |
| C35 | C17 | C18 | N16 | 173.8° | 175.7° |
| C35 | C17 | C18 | O19 | 178.9° | 172.1° |
| C35 | C17 | N16 | C15 | 176.6° | 171.2° |
| C35 | C17 | C18 | H23 | 1.1° | 7.8° |
| N03 | C04 | C05 | H10 | 120.3° | 119.4° |
| N03 | C04 | C05 | H11 | 120.4° | 119.4° |
| N03 | C04 | C05 | C06 | 121.8° | 105.8° |
| N03 | C04 | H10 | H11 | 118.9° | 121.1° |
| N03 | C04 | C05 | H12 | 58.2° | 73.3° |
| C17 | C18 | O19 | H23 | 180.0° | 180.0° |
| C18 | C17 | N16 | C15 | 9.5° | 4.8° |
| C17 | C18 | O19 | C15 | 2.0° | 1.0° |
| N16 | C17 | C18 | O19 | 7.3° | 3.5° |
| C17 | N16 | C15 | O19 | 8.7° | 4.2° |
| C17 | N16 | C15 | C14 | 172.8° | 175.7° |
| N16 | C17 | C18 | H23 | 172.7° | 176.5° |
| C04 | C05 | C06 | H12 | 180.0° | 179.0° |
| C04 | C05 | C06 | C07 | 177.6° | 178.5° |
| C05 | C04 | N03 | H9 | 48.2° | 91.1° |
| C05 | C04 | H10 | H11 | 119.0° | 121.2° |
| C04 | C05 | C06 | H13 | 2.4° | 2.8° |
| C18 | O19 | C15 | N16 | 4.1° | 2.0° |
| C18 | O19 | C15 | C14 | 177.3° | 177.9° |
| C05 | C06 | C07 | C08 | 7.8° | 4.9° |
| C05 | C06 | C07 | H13 | 180.0° | 178.7° |
| C05 | C06 | C07 | C09 | 175.8° | 174.6° |
| C06 | C05 | C04 | H10 | 117.9° | 13.7° |
| C06 | C05 | C04 | H11 | 1.4° | 134.9° |
| N16 | C15 | O19 | C14 | 178.6° | 179.9° |
| N16 | C15 | C14 | C12 | 32.0° | 54.2° |
| N16 | C15 | C14 | H21 | 88.5° | 65.5° |
| N16 | C15 | C14 | H22 | 152.5° | 173.9° |
| O19 | C15 | C14 | C12 | 149.6° | 125.7° |
| O19 | C15 | C14 | H21 | 89.9° | 114.6° |
| O19 | C15 | C14 | H22 | 29.1° | 6.0° |
| C15 | O19 | C18 | H23 | 178.0° | 179.0° |
| C08 | C07 | C06 | C09 | 176.4° | 179.5° |
| C08 | C07 | C09 | C10 | 2.6° | 0.5° |
| C08 | C07 | C06 | H13 | 172.2° | 173.8° |
| C07 | C08 | H14 | H15 | 120.0° | 120.0° |
| C07 | C08 | H14 | H16 | 120.0° | 120.1° |
| C07 | C08 | H15 | H16 | 120.0° | 120.0° |
| C08 | C07 | C09 | H17 | 177.4° | 178.3° |
| C06 | C07 | C09 | C10 | 178.9° | 179.0° |
| C07 | C06 | C05 | H12 | 2.4° | 0.5° |
| C06 | C07 | C08 | H14 | 180.0° | 24.8° |
| C06 | C07 | C08 | H15 | 60.0° | 144.8° |
| C06 | C07 | C08 | H16 | 60.0° | 95.2° |
| C06 | C07 | C09 | H17 | 1.1° | 2.2° |
| C15 | C14 | C12 | F13 | 87.6° | 129.4° |
| C15 | C14 | C12 | H21 | 120.5° | 119.7° |
| C15 | C14 | C12 | H22 | 120.5° | 119.7° |
| C15 | C14 | C12 | C11 | 147.4° | 110.3° |
| C15 | C14 | C12 | H20 | 30.9° | 10.0° |
| C15 | C14 | H21 | H22 | 118.4° | 120.5° |
| C07 | C09 | C10 | H17 | 180.0° | 178.8° |
| C07 | C09 | C10 | C11 | 111.7° | 87.1° |
| C07 | C09 | C10 | O20 | 131.3° | 33.3° |
| C07 | C09 | C10 | H1 | 10.7° | 152.7° |
| C09 | C07 | C06 | H13 | 4.2° | 6.7° |
| C09 | C07 | C08 | H14 | 3.8° | 154.7° |
| C09 | C07 | C08 | H15 | 116.2° | 34.7° |
| C09 | C07 | C08 | H16 | 123.8° | 85.2° |
| F13 | C12 | C14 | C11 | 124.9° | 120.3° |
| F13 | C12 | C14 | H20 | 118.6° | 119.4° |
| F13 | C12 | C11 | H20 | 118.4° | 119.4° |
| F13 | C12 | C11 | C10 | 70.6° | 19.6° |
| F13 | C12 | C11 | H18 | 168.8° | 100.6° |
| F13 | C12 | C11 | H19 | 50.0° | 139.8° |
| F13 | C12 | C14 | H21 | 151.8° | 110.9° |
| F13 | C12 | C14 | H22 | 32.9° | 9.7° |
| C14 | C12 | C11 | H20 | 116.5° | 120.3° |
| C14 | C12 | C11 | C10 | 164.2° | 139.9° |
| C14 | C12 | C11 | H18 | 43.7° | 19.7° |
| C14 | C12 | C11 | H19 | 75.2° | 99.9° |
| C12 | C14 | H21 | H22 | 118.4° | 120.5° |
| C12 | C11 | C10 | C09 | 70.3° | 87.2° |
| C12 | C11 | C10 | H18 | 120.6° | 120.3° |
| C12 | C11 | C10 | H19 | 120.6° | 120.2° |
| C12 | C11 | C10 | O20 | 173.0° | 152.4° |
| C12 | C11 | C10 | H1 | 52.2° | 33.0° |
| C12 | C11 | H18 | H19 | 118.3° | 119.5° |
| C11 | C12 | C14 | H21 | 26.9° | 9.4° |
| C11 | C12 | C14 | H22 | 92.1° | 130.1° |
| C09 | C10 | C11 | O20 | 116.7° | 120.3° |
| C09 | C10 | C11 | H1 | 122.5° | 120.2° |
| C09 | C10 | O20 | H1 | 119.6° | 119.5° |
| C09 | C10 | C11 | H18 | 50.3° | 152.5° |
| C09 | C10 | C11 | H19 | 169.2° | 32.9° |
| C09 | C10 | O20 | H24 | 180.0° | 58.9° |
| C11 | C10 | O20 | H1 | 119.7° | 119.4° |
| C11 | C10 | C09 | H17 | 68.2° | 94.1° |
| C10 | C11 | H18 | H19 | 118.3° | 119.6° |
| C10 | C11 | C12 | H20 | 47.8° | 99.8° |
| C11 | C10 | O20 | H24 | 59.2° | 180.0° |
| O20 | C10 | C09 | H17 | 48.7° | 145.6° |
| O20 | C10 | C11 | H18 | 66.4° | 32.2° |
| O20 | C10 | C11 | H19 | 52.4° | 87.4° |
| H1 | C10 | C09 | H17 | 169.3° | 26.1° |
| H1 | C10 | C11 | H18 | 172.8° | 87.2° |
| H1 | C10 | C11 | H19 | 68.4° | 153.2° |
| H1 | C10 | O20 | H24 | 60.4° | 60.6° |
| H2 | C21 | C22 | H3 | 172.7° | 176.3° |
| H3 | C22 | C23 | H25 | 44.1° | 155.4° |
| H4 | C24 | C23 | H25 | 71.0° | 175.0° |
| H4 | C24 | C25 | H26 | 152.8° | 175.0° |
| H5 | C24 | C23 | H25 | 170.5° | 65.0° |
| H5 | C24 | C25 | H26 | 34.4° | 65.0° |
| H6 | C26 | C25 | H26 | 180.0° | 0.0° |
| H7 | C26 | C25 | H26 | 0.0° | 180.0° |
| H8 | C28 | C27 | H27 | 178.7° | 71.4° |
| H8 | C28 | C29 | H28 | 63.7° | 14.8° |
| H8 | C28 | C29 | H29 | 176.3° | 134.7° |
| H8 | C28 | C29 | H30 | 56.3° | 105.3° |
| H8 | C28 | C30 | H31 | 63.8° | 142.0° |
| H8 | C28 | C30 | H32 | 56.2° | 22.0° |
| H8 | C28 | C30 | H33 | 176.2° | 98.1° |
| H9 | N03 | C04 | H10 | 72.2° | 149.5° |
| H9 | N03 | C04 | H11 | 168.6° | 28.3° |
| H10 | C04 | C05 | H12 | 62.1° | 167.3° |
| H11 | C04 | C05 | H12 | 178.6° | 46.1° |
| H12 | C05 | C06 | H13 | 177.6° | 178.2° |
| H14 | C08 | H15 | H16 | 120.0° | 120.0° |
| H18 | C11 | C12 | H20 | 72.8° | 140.0° |
| H19 | C11 | C12 | H20 | 168.3° | 20.4° |
| H20 | C12 | C14 | H21 | 89.6° | 129.6° |
| H20 | C12 | C14 | H22 | 151.4° | 109.7° |
| H25 | C23 | C27 | H27 | 68.7° | 132.6° |
| H28 | C29 | H29 | H30 | 120.0° | 120.0° |
| H31 | C30 | H32 | H33 | 120.0° | 119.9° |
| H34 | C33 | C39 | H39 | 29.4° | 19.9° |
| H34 | C33 | C39 | H40 | 150.8° | 102.4° |
| H35 | C37 | C38 | H37 | 37.2° | 2.3° |
| H35 | C37 | C38 | H38 | 85.5° | 119.3° |
| H36 | C37 | C38 | H37 | 158.5° | 122.9° |
| H36 | C37 | C38 | H38 | 35.8° | 1.3° |
| H37 | C38 | C39 | H39 | 38.6° | 135.7° |
| H37 | C38 | C39 | H40 | 160.1° | 13.4° |
| H38 | C38 | C39 | H39 | 84.1° | 14.0° |
| H38 | C38 | C39 | H40 | 37.4° | 108.3° |
