N40
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | C25 | doub | 1.21Å | 1.19Å | |
| N26 | C25 | sing | 1.34Å | 1.51Å | |
| N26 | C27 | sing | 1.47Å | 1.44Å | |
| C25 | C24 | sing | 1.51Å | 1.47Å | |
| C27 | C28 | sing | 1.54Å | 1.55Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C28 | sing | 1.55Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C30 | sing | 1.53Å | 1.53Å | |
| C22 | N21 | sing | 1.46Å | 1.44Å | |
| C09 | C10 | sing | 1.53Å | 1.52Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C30 | O31 | sing | 1.43Å | 1.39Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.54Å | |
| O01 | S02 | doub | 1.42Å | 1.46Å | |
| N21 | C20 | sing | 1.35Å | 1.45Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| O33 | S02 | doub | 1.42Å | 1.44Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| O32 | C20 | doub | 1.21Å | 1.18Å | |
| C20 | C12 | sing | 1.51Å | 1.52Å | |
| S02 | C03 | sing | 1.81Å | 1.81Å | |
| S02 | N11 | sing | 1.66Å | 1.70Å | |
| C12 | N11 | sing | 1.46Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | C19 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C03 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| N11 | H42 | sing | 0.97Å | 1.00Å | |
| N21 | H43 | sing | 0.97Å | 1.00Å | |
| N26 | H44 | sing | 0.97Å | 1.00Å | |
| O31 | H45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O29 | C25 | N26 | 127.2° | 124.9° |
| O29 | C25 | C24 | 125.0° | 124.9° |
| C25 | N26 | C27 | 108.8° | 111.3° |
| N26 | C25 | C24 | 107.8° | 110.1° |
| C25 | N26 | H44 | 125.6° | 124.3° |
| N26 | C27 | C28 | 105.9° | 105.5° |
| N26 | C27 | H36 | 110.4° | 110.2° |
| N26 | C27 | H37 | 110.4° | 110.3° |
| C27 | N26 | H44 | 125.6° | 124.4° |
| C25 | C24 | C23 | 110.8° | 110.5° |
| C25 | C24 | C28 | 106.1° | 104.2° |
| C25 | C24 | H35 | 109.6° | 110.6° |
| C27 | C28 | C24 | 104.3° | 101.8° |
| C28 | C27 | H36 | 110.4° | 110.3° |
| C28 | C27 | H37 | 110.3° | 110.3° |
| C27 | C28 | H38 | 110.7° | 111.0° |
| C27 | C28 | H39 | 110.8° | 111.0° |
| C23 | C24 | C28 | 112.7° | 110.5° |
| C24 | C23 | C22 | 115.3° | 109.5° |
| C24 | C23 | H33 | 108.0° | 109.4° |
| C24 | C23 | H34 | 108.0° | 109.5° |
| C23 | C24 | H35 | 108.7° | 110.5° |
| C28 | C24 | H35 | 108.9° | 110.4° |
| C24 | C28 | H38 | 110.7° | 111.0° |
| C24 | C28 | H39 | 110.7° | 111.0° |
| C23 | C22 | C30 | 109.0° | 109.5° |
| C23 | C22 | N21 | 107.7° | 109.5° |
| C23 | C22 | H32 | 109.2° | 109.5° |
| C22 | C23 | H33 | 108.0° | 109.5° |
| C22 | C23 | H34 | 108.0° | 109.5° |
| C30 | C22 | N21 | 111.1° | 109.5° |
| C22 | C30 | O31 | 108.7° | 109.4° |
| C30 | C22 | H32 | 109.3° | 109.4° |
| C22 | C30 | H40 | 109.7° | 109.5° |
| C22 | C30 | H41 | 109.7° | 109.5° |
| C22 | N21 | C20 | 119.5° | 120.0° |
| N21 | C22 | H32 | 110.4° | 109.5° |
| C22 | N21 | H43 | 120.2° | 120.0° |
| C10 | C09 | C08 | 113.2° | 109.5° |
| C10 | C09 | H13 | 108.5° | 109.4° |
| C10 | C09 | H14 | 108.6° | 109.5° |
| C09 | C10 | H15 | 109.5° | 109.5° |
| C09 | C10 | H16 | 109.4° | 109.5° |
| C09 | C10 | H17 | 109.4° | 109.5° |
| C09 | C08 | C07 | 111.3° | 109.5° |
| C09 | C08 | H11 | 109.0° | 109.5° |
| C09 | C08 | H12 | 109.0° | 109.5° |
| C08 | C09 | H13 | 108.5° | 109.5° |
| C08 | C09 | H14 | 108.5° | 109.5° |
| O31 | C30 | H40 | 109.7° | 109.5° |
| O31 | C30 | H41 | 109.7° | 109.5° |
| C30 | O31 | H45 | 109.5° | 114.0° |
| C08 | C07 | C06 | 113.9° | 109.5° |
| C08 | C07 | H9 | 108.3° | 109.5° |
| C08 | C07 | H10 | 108.4° | 109.5° |
| C07 | C08 | H11 | 109.0° | 109.4° |
| C07 | C08 | H12 | 109.0° | 109.5° |
| C07 | C06 | C05 | 111.5° | 109.4° |
| C07 | C06 | H7 | 108.9° | 109.4° |
| C07 | C06 | H8 | 108.9° | 109.4° |
| C06 | C07 | H9 | 108.4° | 109.5° |
| C06 | C07 | H10 | 108.4° | 109.4° |
| O01 | S02 | O33 | 102.4° | 121.0° |
| O01 | S02 | C03 | 115.4° | 110.6° |
| O01 | S02 | N11 | 110.1° | 104.3° |
| N21 | C20 | O32 | 122.0° | 119.9° |
| N21 | C20 | C12 | 116.1° | 120.0° |
| C20 | N21 | H43 | 120.2° | 120.0° |
| C06 | C05 | C04 | 113.6° | 109.4° |
| C06 | C05 | H5 | 108.4° | 109.5° |
| C06 | C05 | H6 | 108.4° | 109.4° |
| C05 | C06 | H7 | 109.0° | 109.5° |
| C05 | C06 | H8 | 109.0° | 109.5° |
| O33 | S02 | C03 | 108.8° | 110.5° |
| O33 | S02 | N11 | 109.9° | 104.3° |
| C05 | C04 | C03 | 113.0° | 109.4° |
| C05 | C04 | H3 | 108.6° | 109.5° |
| C05 | C04 | H4 | 108.6° | 109.5° |
| C04 | C05 | H5 | 108.4° | 109.5° |
| C04 | C05 | H6 | 108.4° | 109.5° |
| C04 | C03 | S02 | 114.0° | 109.4° |
| C04 | C03 | H1 | 108.3° | 109.5° |
| C04 | C03 | H2 | 108.3° | 109.5° |
| C03 | C04 | H3 | 108.6° | 109.5° |
| C03 | C04 | H4 | 108.6° | 109.5° |
| O32 | C20 | C12 | 121.9° | 120.0° |
| C20 | C12 | N11 | 111.5° | 109.5° |
| C20 | C12 | C13 | 107.7° | 109.5° |
| C20 | C12 | H18 | 108.2° | 109.5° |
| C03 | S02 | N11 | 109.9° | 104.4° |
| S02 | C03 | H1 | 108.3° | 109.4° |
| S02 | C03 | H2 | 108.3° | 109.4° |
| S02 | N11 | C12 | 118.5° | 120.0° |
| S02 | N11 | H42 | 107.2° | 120.0° |
| N11 | C12 | C13 | 112.1° | 109.5° |
| N11 | C12 | H18 | 109.1° | 109.5° |
| C12 | N11 | H42 | 107.2° | 120.0° |
| C12 | C13 | C14 | 113.7° | 109.5° |
| C13 | C12 | H18 | 108.2° | 109.5° |
| C12 | C13 | H19 | 108.4° | 109.4° |
| C12 | C13 | H20 | 108.4° | 109.4° |
| C13 | C14 | C15 | 108.5° | 109.4° |
| C13 | C14 | C19 | 107.1° | 109.5° |
| C14 | C13 | H19 | 108.4° | 109.5° |
| C14 | C13 | H20 | 108.4° | 109.5° |
| C13 | C14 | H21 | 109.5° | 109.5° |
| C14 | C15 | C16 | 112.5° | 109.5° |
| C15 | C14 | C19 | 113.1° | 109.5° |
| C15 | C14 | H21 | 109.4° | 109.4° |
| C14 | C15 | H22 | 108.7° | 109.5° |
| C14 | C15 | H23 | 108.7° | 109.5° |
| C15 | C16 | C17 | 112.2° | 109.5° |
| C16 | C15 | H22 | 108.7° | 109.4° |
| C16 | C15 | H23 | 108.7° | 109.5° |
| C15 | C16 | H24 | 108.8° | 109.5° |
| C15 | C16 | H25 | 108.8° | 109.4° |
| C14 | C19 | C18 | 111.5° | 109.5° |
| C19 | C14 | H21 | 109.2° | 109.5° |
| C14 | C19 | H30 | 108.9° | 109.5° |
| C14 | C19 | H31 | 108.9° | 109.5° |
| C16 | C17 | C18 | 112.5° | 109.5° |
| C17 | C16 | H24 | 108.8° | 109.5° |
| C17 | C16 | H25 | 108.8° | 109.5° |
| C16 | C17 | H26 | 108.7° | 109.5° |
| C16 | C17 | H27 | 108.7° | 109.5° |
| C19 | C18 | C17 | 111.9° | 109.5° |
| C19 | C18 | H28 | 108.9° | 109.4° |
| C19 | C18 | H29 | 108.9° | 109.4° |
| C18 | C19 | H30 | 109.0° | 109.5° |
| C18 | C19 | H31 | 109.0° | 109.4° |
| C18 | C17 | H26 | 108.7° | 109.5° |
| C18 | C17 | H27 | 108.7° | 109.4° |
| C17 | C18 | H28 | 108.9° | 109.5° |
| C17 | C18 | H29 | 108.9° | 109.5° |
| H1 | C03 | H2 | 109.5° | 109.5° |
| H3 | C04 | H4 | 109.5° | 109.5° |
| H5 | C05 | H6 | 109.4° | 109.5° |
| H7 | C06 | H8 | 109.5° | 109.5° |
| H9 | C07 | H10 | 109.5° | 109.5° |
| H11 | C08 | H12 | 109.5° | 109.5° |
| H13 | C09 | H14 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H15 | C10 | H17 | 109.5° | 109.4° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.4° | 109.5° |
| H22 | C15 | H23 | 109.4° | 109.5° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.5° | 109.4° |
| H28 | C18 | H29 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| H33 | C23 | H34 | 109.5° | 109.5° |
| H36 | C27 | H37 | 109.5° | 110.2° |
| H38 | C28 | H39 | 109.5° | 110.9° |
| H40 | C30 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | C25 | N26 | C24 | 179.8° | 180.0° |
| O29 | C25 | N26 | C27 | 179.0° | 179.6° |
| O29 | C25 | C24 | C23 | 40.1° | 45.1° |
| O29 | C25 | C24 | C28 | 162.7° | 163.8° |
| O29 | C25 | C24 | H35 | 79.9° | 77.6° |
| O29 | C25 | N26 | H44 | 1.0° | 0.5° |
| C25 | N26 | C27 | H44 | 180.0° | 179.9° |
| C25 | N26 | C27 | C28 | 15.5° | 17.0° |
| N26 | C25 | C24 | C23 | 139.7° | 134.9° |
| N26 | C25 | C24 | C28 | 17.1° | 16.3° |
| N26 | C25 | C24 | H35 | 100.3° | 102.4° |
| C25 | N26 | C27 | H36 | 103.9° | 136.0° |
| C25 | N26 | C27 | H37 | 134.9° | 102.1° |
| C27 | N26 | C25 | C24 | 0.8° | 0.4° |
| N26 | C27 | C28 | H36 | 119.5° | 119.0° |
| N26 | C27 | C28 | H37 | 119.4° | 119.1° |
| N26 | C27 | C28 | C24 | 25.6° | 25.4° |
| N26 | C27 | H36 | H37 | 121.7° | 122.0° |
| N26 | C27 | C28 | H38 | 144.8° | 92.7° |
| N26 | C27 | C28 | H39 | 93.6° | 143.5° |
| C25 | C24 | C28 | C27 | 26.0° | 24.8° |
| C25 | C24 | C23 | C28 | 118.7° | 114.7° |
| C25 | C24 | C23 | H35 | 120.5° | 122.8° |
| C25 | C24 | C28 | H35 | 117.9° | 118.8° |
| C25 | C24 | C23 | C22 | 167.9° | 179.4° |
| C25 | C24 | C23 | H33 | 47.0° | 59.4° |
| C25 | C24 | C23 | H34 | 71.3° | 60.5° |
| C25 | C24 | C28 | H38 | 145.2° | 93.3° |
| C25 | C24 | C28 | H39 | 93.2° | 142.9° |
| C24 | C25 | N26 | H44 | 179.2° | 179.5° |
| C27 | C28 | C24 | C23 | 147.4° | 143.5° |
| C27 | C28 | C24 | H38 | 119.2° | 118.1° |
| C27 | C28 | C24 | H39 | 119.2° | 118.1° |
| C27 | C28 | C24 | H35 | 91.9° | 94.0° |
| C28 | C27 | H36 | H37 | 121.6° | 121.9° |
| C27 | C28 | H38 | H39 | 122.4° | 123.9° |
| C28 | C27 | N26 | H44 | 164.5° | 162.9° |
| C23 | C24 | C28 | H35 | 120.7° | 122.5° |
| C24 | C23 | C22 | H33 | 120.9° | 119.9° |
| C24 | C23 | C22 | H34 | 120.8° | 120.0° |
| C24 | C23 | C22 | C30 | 179.4° | 176.1° |
| C24 | C23 | C22 | N21 | 58.7° | 63.9° |
| C24 | C23 | C22 | H32 | 61.3° | 56.1° |
| C24 | C23 | H33 | H34 | 117.4° | 120.0° |
| C23 | C24 | C28 | H38 | 93.4° | 25.3° |
| C23 | C24 | C28 | H39 | 28.3° | 98.4° |
| C28 | C24 | C23 | C22 | 49.2° | 65.9° |
| C28 | C24 | C23 | H33 | 71.7° | 174.2° |
| C28 | C24 | C23 | H34 | 170.0° | 54.2° |
| C24 | C28 | C27 | H36 | 93.9° | 144.4° |
| C24 | C28 | C27 | H37 | 145.0° | 93.7° |
| C24 | C28 | H38 | H39 | 122.4° | 123.8° |
| C23 | C22 | C30 | N21 | 118.6° | 120.0° |
| C23 | C22 | C30 | H32 | 119.3° | 120.0° |
| C23 | C22 | N21 | H32 | 119.2° | 120.1° |
| C23 | C22 | C30 | O31 | 174.8° | 55.0° |
| C23 | C22 | N21 | C20 | 115.6° | 151.6° |
| C22 | C23 | H33 | H34 | 117.3° | 120.0° |
| C22 | C23 | C24 | H35 | 71.6° | 56.6° |
| C23 | C22 | C30 | H40 | 54.9° | 175.0° |
| C23 | C22 | C30 | H41 | 65.3° | 65.0° |
| C23 | C22 | N21 | H43 | 64.4° | 28.5° |
| C30 | C22 | N21 | H32 | 121.4° | 119.9° |
| C22 | C30 | O31 | H40 | 119.9° | 120.0° |
| C22 | C30 | O31 | H41 | 119.9° | 120.0° |
| C30 | C22 | N21 | C20 | 125.0° | 88.4° |
| C30 | C22 | C23 | H33 | 59.7° | 64.0° |
| C30 | C22 | C23 | H34 | 58.5° | 56.1° |
| C22 | C30 | H40 | H41 | 120.3° | 120.0° |
| C30 | C22 | N21 | H43 | 55.0° | 91.5° |
| C22 | C30 | O31 | H45 | 180.0° | 180.0° |
| N21 | C22 | C30 | O31 | 66.6° | 65.0° |
| C22 | N21 | C20 | H43 | 180.0° | 180.0° |
| C22 | N21 | C20 | O32 | 0.9° | 0.0° |
| C22 | N21 | C20 | C12 | 179.0° | 180.0° |
| N21 | C22 | C23 | H33 | 179.5° | 56.0° |
| N21 | C22 | C23 | H34 | 62.2° | 176.1° |
| N21 | C22 | C30 | H40 | 173.5° | 55.0° |
| N21 | C22 | C30 | H41 | 53.3° | 175.0° |
| C10 | C09 | C08 | H13 | 120.5° | 120.0° |
| C10 | C09 | C08 | H14 | 120.6° | 120.0° |
| C10 | C09 | C08 | C07 | 164.6° | 180.0° |
| C10 | C09 | C08 | H11 | 44.4° | 60.0° |
| C10 | C09 | C08 | H12 | 75.1° | 60.0° |
| C10 | C09 | H13 | H14 | 118.4° | 119.9° |
| C09 | C10 | H15 | H16 | 120.0° | 120.0° |
| C09 | C10 | H15 | H17 | 120.0° | 120.0° |
| C09 | C10 | H16 | H17 | 119.9° | 120.0° |
| C09 | C08 | C07 | H11 | 120.3° | 120.0° |
| C09 | C08 | C07 | H12 | 120.3° | 120.0° |
| C09 | C08 | C07 | C06 | 164.5° | 180.0° |
| C09 | C08 | C07 | H9 | 43.9° | 60.0° |
| C09 | C08 | C07 | H10 | 74.8° | 60.0° |
| C09 | C08 | H11 | H12 | 119.2° | 120.0° |
| C08 | C09 | H13 | H14 | 118.3° | 120.0° |
| C08 | C09 | C10 | H15 | 180.0° | 180.0° |
| C08 | C09 | C10 | H16 | 60.0° | 60.0° |
| C08 | C09 | C10 | H17 | 60.0° | 60.0° |
| O31 | C30 | C22 | H32 | 55.5° | 175.0° |
| O31 | C30 | H40 | H41 | 120.4° | 120.0° |
| C08 | C07 | C06 | H9 | 120.6° | 120.0° |
| C08 | C07 | C06 | H10 | 120.7° | 120.0° |
| C08 | C07 | C06 | C05 | 167.8° | 180.0° |
| C08 | C07 | C06 | H7 | 47.5° | 60.0° |
| C08 | C07 | C06 | H8 | 71.9° | 60.0° |
| C08 | C07 | H9 | H10 | 118.0° | 120.0° |
| C07 | C08 | H11 | H12 | 119.2° | 119.9° |
| C07 | C08 | C09 | H13 | 74.8° | 60.0° |
| C07 | C08 | C09 | H14 | 44.1° | 60.0° |
| C07 | C06 | C05 | H7 | 120.3° | 120.0° |
| C07 | C06 | C05 | H8 | 120.3° | 119.9° |
| C07 | C06 | C05 | C04 | 173.6° | 180.0° |
| C07 | C06 | C05 | H5 | 53.0° | 60.0° |
| C07 | C06 | C05 | H6 | 65.8° | 60.0° |
| C07 | C06 | H7 | H8 | 119.0° | 120.0° |
| C06 | C07 | H9 | H10 | 118.0° | 120.0° |
| C06 | C07 | C08 | H11 | 75.2° | 60.0° |
| C06 | C07 | C08 | H12 | 44.3° | 60.0° |
| O01 | S02 | O33 | C03 | 122.6° | 131.5° |
| O01 | S02 | O33 | N11 | 117.0° | 116.8° |
| O01 | S02 | C03 | C04 | 36.8° | 68.3° |
| O01 | S02 | C03 | N11 | 125.3° | 111.7° |
| O01 | S02 | N11 | C12 | 3.3° | 52.8° |
| O01 | S02 | C03 | H1 | 83.8° | 171.7° |
| O01 | S02 | C03 | H2 | 157.5° | 51.6° |
| O01 | S02 | N11 | H42 | 118.0° | 127.1° |
| N21 | C20 | O32 | C12 | 179.9° | 180.0° |
| N21 | C20 | C12 | N11 | 145.3° | 180.0° |
| N21 | C20 | C12 | C13 | 91.4° | 60.0° |
| N21 | C20 | C12 | H18 | 25.4° | 60.0° |
| C20 | N21 | C22 | H32 | 3.6° | 31.5° |
| C06 | C05 | C04 | H5 | 120.6° | 120.1° |
| C06 | C05 | C04 | H6 | 120.6° | 119.9° |
| C06 | C05 | C04 | C03 | 139.7° | 180.0° |
| C06 | C05 | C04 | H3 | 19.2° | 60.0° |
| C06 | C05 | C04 | H4 | 99.8° | 60.1° |
| C06 | C05 | H5 | H6 | 118.1° | 120.0° |
| C05 | C06 | H7 | H8 | 119.1° | 120.1° |
| C05 | C06 | C07 | H9 | 71.5° | 60.0° |
| C05 | C06 | C07 | H10 | 47.2° | 60.0° |
| O33 | S02 | C03 | C04 | 77.5° | 68.4° |
| O33 | S02 | C03 | N11 | 120.4° | 111.6° |
| O33 | S02 | N11 | C12 | 108.8° | 179.4° |
| O33 | S02 | C03 | H1 | 161.8° | 51.7° |
| O33 | S02 | C03 | H2 | 43.2° | 171.7° |
| O33 | S02 | N11 | H42 | 130.0° | 0.7° |
| C05 | C04 | C03 | H3 | 120.5° | 120.0° |
| C05 | C04 | C03 | H4 | 120.5° | 120.0° |
| C05 | C04 | C03 | S02 | 86.8° | 180.0° |
| C05 | C04 | C03 | H1 | 33.9° | 60.0° |
| C05 | C04 | C03 | H2 | 152.5° | 60.1° |
| C05 | C04 | H3 | H4 | 118.4° | 120.0° |
| C04 | C05 | H5 | H6 | 118.1° | 120.0° |
| C04 | C05 | C06 | H7 | 66.1° | 60.0° |
| C04 | C05 | C06 | H8 | 53.3° | 60.1° |
| C04 | C03 | S02 | H1 | 120.6° | 120.0° |
| C04 | C03 | S02 | H2 | 120.7° | 119.9° |
| C04 | C03 | S02 | N11 | 162.1° | 180.0° |
| C04 | C03 | H1 | H2 | 117.9° | 120.1° |
| C03 | C04 | H3 | H4 | 118.4° | 120.0° |
| C03 | C04 | C05 | H5 | 99.7° | 60.0° |
| C03 | C04 | C05 | H6 | 19.1° | 60.0° |
| O32 | C20 | C12 | N11 | 34.6° | 0.0° |
| O32 | C20 | C12 | C13 | 88.7° | 120.0° |
| O32 | C20 | C12 | H18 | 154.5° | 120.0° |
| O32 | C20 | N21 | H43 | 179.1° | 179.9° |
| C20 | C12 | N11 | S02 | 73.3° | 97.1° |
| C20 | C12 | N11 | C13 | 120.8° | 120.0° |
| C20 | C12 | N11 | H18 | 119.3° | 120.0° |
| C20 | C12 | C13 | H18 | 116.7° | 120.0° |
| C20 | C12 | C13 | C14 | 172.2° | 176.3° |
| C20 | C12 | C13 | H19 | 67.1° | 63.8° |
| C20 | C12 | C13 | H20 | 51.6° | 56.2° |
| C20 | C12 | N11 | H42 | 165.4° | 83.0° |
| C12 | C20 | N21 | H43 | 1.0° | 0.1° |
| C03 | S02 | N11 | C12 | 131.5° | 63.3° |
| S02 | C03 | H1 | H2 | 117.9° | 120.0° |
| S02 | C03 | C04 | H3 | 152.7° | 60.0° |
| S02 | C03 | C04 | H4 | 33.7° | 60.0° |
| C03 | S02 | N11 | H42 | 10.3° | 116.7° |
| S02 | N11 | C12 | H42 | 121.3° | 179.9° |
| S02 | N11 | C12 | C13 | 165.9° | 143.0° |
| N11 | S02 | C03 | H1 | 41.5° | 60.0° |
| N11 | S02 | C03 | H2 | 77.2° | 60.0° |
| S02 | N11 | C12 | H18 | 46.0° | 23.0° |
| N11 | C12 | C13 | H18 | 120.3° | 120.0° |
| N11 | C12 | C13 | C14 | 64.8° | 63.7° |
| N11 | C12 | C13 | H19 | 55.8° | 56.2° |
| N11 | C12 | C13 | H20 | 174.6° | 176.2° |
| C12 | C13 | C14 | H19 | 120.6° | 119.9° |
| C12 | C13 | C14 | H20 | 120.6° | 120.0° |
| C12 | C13 | C14 | C15 | 62.7° | 65.2° |
| C12 | C13 | C14 | C19 | 175.0° | 174.8° |
| C12 | C13 | H19 | H20 | 118.1° | 120.0° |
| C12 | C13 | C14 | H21 | 56.7° | 54.7° |
| C13 | C12 | N11 | H42 | 44.6° | 37.0° |
| C13 | C14 | C15 | C19 | 118.7° | 120.0° |
| C13 | C14 | C15 | H21 | 119.4° | 120.0° |
| C13 | C14 | C15 | C16 | 169.3° | 180.0° |
| C13 | C14 | C19 | H21 | 118.5° | 120.1° |
| C13 | C14 | C19 | C18 | 171.8° | 180.0° |
| C14 | C13 | C12 | H18 | 55.5° | 56.3° |
| C14 | C13 | H19 | H20 | 118.1° | 120.1° |
| C13 | C14 | C15 | H22 | 48.8° | 60.0° |
| C13 | C14 | C15 | H23 | 70.2° | 60.0° |
| C13 | C14 | C19 | H30 | 67.8° | 60.0° |
| C13 | C14 | C19 | H31 | 51.5° | 60.0° |
| C14 | C15 | C16 | H22 | 120.5° | 120.0° |
| C14 | C15 | C16 | H23 | 120.5° | 120.1° |
| C15 | C14 | C19 | H21 | 122.0° | 120.0° |
| C14 | C15 | C16 | C17 | 50.3° | 60.0° |
| C15 | C14 | C19 | C18 | 52.3° | 60.0° |
| C15 | C14 | C13 | H19 | 176.7° | 174.8° |
| C15 | C14 | C13 | H20 | 58.0° | 54.8° |
| C14 | C15 | H22 | H23 | 118.6° | 120.1° |
| C14 | C15 | C16 | H24 | 170.7° | 180.0° |
| C14 | C15 | C16 | H25 | 70.1° | 60.0° |
| C15 | C14 | C19 | H30 | 172.7° | 180.0° |
| C15 | C14 | C19 | H31 | 68.0° | 60.0° |
| C16 | C15 | C14 | C19 | 50.7° | 60.0° |
| C15 | C16 | C17 | H24 | 120.4° | 120.0° |
| C15 | C16 | C17 | H25 | 120.4° | 120.0° |
| C15 | C16 | C17 | C18 | 52.4° | 60.0° |
| C16 | C15 | C14 | H21 | 71.3° | 60.0° |
| C16 | C15 | H22 | H23 | 118.6° | 120.0° |
| C15 | C16 | H24 | H25 | 118.8° | 119.9° |
| C15 | C16 | C17 | H26 | 68.1° | 60.0° |
| C15 | C16 | C17 | H27 | 172.8° | 180.0° |
| C14 | C19 | C18 | H30 | 120.3° | 120.0° |
| C14 | C19 | C18 | H31 | 120.3° | 120.0° |
| C14 | C19 | C18 | C17 | 53.8° | 60.0° |
| C19 | C14 | C13 | H19 | 54.3° | 54.8° |
| C19 | C14 | C13 | H20 | 64.4° | 65.2° |
| C19 | C14 | C15 | H22 | 69.8° | 60.0° |
| C19 | C14 | C15 | H23 | 171.1° | 180.0° |
| C14 | C19 | C18 | H28 | 66.6° | 180.0° |
| C14 | C19 | C18 | H29 | 174.2° | 60.0° |
| C14 | C19 | H30 | H31 | 119.0° | 120.0° |
| C16 | C17 | C18 | C19 | 54.4° | 60.0° |
| C16 | C17 | C18 | H26 | 120.4° | 120.0° |
| C16 | C17 | C18 | H27 | 120.4° | 120.0° |
| C17 | C16 | C15 | H22 | 70.2° | 60.0° |
| C17 | C16 | C15 | H23 | 170.7° | 180.0° |
| C17 | C16 | H24 | H25 | 118.7° | 120.0° |
| C16 | C17 | H26 | H27 | 118.6° | 120.0° |
| C16 | C17 | C18 | H28 | 66.0° | 180.0° |
| C16 | C17 | C18 | H29 | 174.8° | 60.0° |
| C19 | C18 | C17 | H28 | 120.4° | 120.0° |
| C19 | C18 | C17 | H29 | 120.4° | 119.9° |
| C18 | C19 | C14 | H21 | 69.7° | 60.0° |
| C19 | C18 | C17 | H26 | 66.0° | 60.1° |
| C19 | C18 | C17 | H27 | 174.8° | 180.0° |
| C19 | C18 | H28 | H29 | 118.9° | 120.0° |
| C18 | C19 | H30 | H31 | 119.1° | 119.9° |
| C18 | C17 | C16 | H24 | 172.7° | 180.0° |
| C18 | C17 | C16 | H25 | 68.1° | 60.0° |
| C18 | C17 | H26 | H27 | 118.6° | 119.9° |
| C17 | C18 | H28 | H29 | 118.9° | 120.0° |
| C17 | C18 | C19 | H30 | 174.1° | 180.0° |
| C17 | C18 | C19 | H31 | 66.5° | 60.0° |
| H1 | C03 | C04 | H3 | 86.6° | 59.9° |
| H1 | C03 | C04 | H4 | 154.4° | 180.0° |
| H2 | C03 | C04 | H3 | 32.0° | 180.0° |
| H2 | C03 | C04 | H4 | 86.9° | 59.9° |
| H3 | C04 | C05 | H5 | 139.8° | 180.0° |
| H3 | C04 | C05 | H6 | 101.5° | 59.9° |
| H4 | C04 | C05 | H5 | 20.8° | 60.0° |
| H4 | C04 | C05 | H6 | 139.5° | 180.0° |
| H5 | C05 | C06 | H7 | 173.3° | 179.9° |
| H5 | C05 | C06 | H8 | 67.3° | 60.0° |
| H6 | C05 | C06 | H7 | 54.5° | 59.9° |
| H6 | C05 | C06 | H8 | 174.0° | 180.0° |
| H7 | C06 | C07 | H9 | 168.1° | 180.0° |
| H7 | C06 | C07 | H10 | 73.1° | 60.0° |
| H8 | C06 | C07 | H9 | 48.8° | 60.0° |
| H8 | C06 | C07 | H10 | 167.5° | 180.0° |
| H9 | C07 | C08 | H11 | 164.2° | 180.0° |
| H9 | C07 | C08 | H12 | 76.4° | 60.0° |
| H10 | C07 | C08 | H11 | 45.5° | 60.0° |
| H10 | C07 | C08 | H12 | 164.9° | 179.9° |
| H11 | C08 | C09 | H13 | 164.9° | 180.0° |
| H11 | C08 | C09 | H14 | 76.2° | 60.0° |
| H12 | C08 | C09 | H13 | 45.5° | 60.0° |
| H12 | C08 | C09 | H14 | 164.4° | NaN° |
| H13 | C09 | C10 | H15 | 59.5° | 60.0° |
| H13 | C09 | C10 | H16 | 60.5° | 180.0° |
| H13 | C09 | C10 | H17 | 179.5° | 60.0° |
| H14 | C09 | C10 | H15 | 59.5° | 60.0° |
| H14 | C09 | C10 | H16 | 179.5° | 60.0° |
| H14 | C09 | C10 | H17 | 60.5° | 180.0° |
| H15 | C10 | H16 | H17 | 120.0° | 120.0° |
| H18 | C12 | C13 | H19 | 176.2° | 176.3° |
| H18 | C12 | C13 | H20 | 65.1° | 63.8° |
| H18 | C12 | N11 | H42 | 75.2° | 157.0° |
| H19 | C13 | C14 | H21 | 64.0° | 65.2° |
| H20 | C13 | C14 | H21 | 177.3° | 174.7° |
| H21 | C14 | C15 | H22 | 168.2° | 180.0° |
| H21 | C14 | C15 | H23 | 49.2° | 60.0° |
| H21 | C14 | C19 | H30 | 50.6° | 60.0° |
| H21 | C14 | C19 | H31 | 170.0° | 179.9° |
| H22 | C15 | C16 | H24 | 50.2° | 60.1° |
| H22 | C15 | C16 | H25 | 169.4° | 180.0° |
| H23 | C15 | C16 | H24 | 68.9° | 59.9° |
| H23 | C15 | C16 | H25 | 50.3° | 60.0° |
| H24 | C16 | C17 | H26 | 52.3° | 60.0° |
| H24 | C16 | C17 | H27 | 66.8° | 60.0° |
| H25 | C16 | C17 | H26 | 171.5° | 180.0° |
| H25 | C16 | C17 | H27 | 52.4° | 60.0° |
| H26 | C17 | C18 | H28 | 173.6° | 59.9° |
| H26 | C17 | C18 | H29 | 54.3° | NaN° |
| H27 | C17 | C18 | H28 | 54.4° | 60.0° |
| H27 | C17 | C18 | H29 | 64.8° | 60.1° |
| H28 | C18 | C19 | H30 | 53.7° | 59.9° |
| H28 | C18 | C19 | H31 | 173.1° | 60.0° |
| H29 | C18 | C19 | H30 | 65.5° | 60.1° |
| H29 | C18 | C19 | H31 | 53.9° | NaN° |
| H32 | C22 | C23 | H33 | 59.6° | 176.1° |
| H32 | C22 | C23 | H34 | 177.8° | 63.9° |
| H32 | C22 | C30 | H40 | 64.4° | 65.0° |
| H32 | C22 | C30 | H41 | 175.4° | 55.0° |
| H32 | C22 | N21 | H43 | 176.4° | 148.5° |
| H33 | C23 | C24 | H35 | 167.5° | 63.3° |
| H34 | C23 | C24 | H35 | 49.2° | 176.7° |
| H35 | C24 | C28 | H38 | 27.3° | 147.9° |
| H35 | C24 | C28 | H39 | 149.0° | 24.1° |
| H36 | C27 | C28 | H38 | 25.3° | 26.3° |
| H36 | C27 | C28 | H39 | 147.0° | 97.5° |
| H36 | C27 | N26 | H44 | 76.1° | 43.9° |
| H37 | C27 | C28 | H38 | 95.8° | 148.2° |
| H37 | C27 | C28 | H39 | 25.9° | 24.4° |
| H37 | C27 | N26 | H44 | 45.1° | 78.0° |
| H40 | C30 | O31 | H45 | 60.1° | 60.0° |
| H41 | C30 | O31 | H45 | 60.1° | 60.0° |
