A1AGE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.21Å | |
| C02 | C03 | sing | 1.51Å | 1.48Å | |
| C02 | N29 | sing | 1.34Å | 1.41Å | |
| C03 | C04 | sing | 1.55Å | 1.50Å | |
| O24 | C20 | doub | 1.21Å | 1.20Å | |
| N29 | C30 | sing | 1.47Å | 1.45Å | |
| N29 | C05 | sing | 1.47Å | 1.46Å | |
| C30 | C31 | sing | 1.51Å | 1.51Å | |
| C20 | N21 | sing | 1.34Å | 1.40Å | |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C36 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| N21 | C22 | sing | 1.47Å | 1.48Å | |
| C04 | C05 | sing | 1.54Å | 1.55Å | |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| O28 | C08 | doub | 1.22Å | 1.23Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C06 | O07 | sing | 1.45Å | 1.41Å | |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| O07 | C08 | sing | 1.35Å | 1.35Å | |
| C08 | N09 | sing | 1.35Å | 1.35Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C19 | C23 | sing | 1.55Å | 1.55Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.54Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.58Å | |
| N09 | C10 | sing | 1.47Å | 1.46Å | |
| C10 | C15 | sing | 1.51Å | 1.55Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| N16 | C15 | sing | 1.35Å | 1.39Å | |
| N16 | C17 | sing | 1.47Å | 1.47Å | |
| C15 | O27 | doub | 1.21Å | 1.22Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C17 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | O26 | sing | 1.43Å | 1.40Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | 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 | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | S1 | sing | 1.81Å | 1.07Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å | |
| N09 | H35 | sing | 0.97Å | 1.00Å | |
| N16 | H36 | sing | 0.97Å | 1.00Å | |
| N21 | H37 | sing | 0.97Å | 1.00Å | |
| O26 | H38 | sing | 0.97Å | 0.95Å | |
| S1 | O2 | sing | 1.52Å | 34.07Å | |
| S1 | O3 | doub | 1.42Å | 34.07Å | |
| S1 | O1 | doub | 1.42Å | 34.07Å | |
| O2 | H26 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 125.4° | 124.9° |
| O01 | C02 | N29 | 125.2° | 124.9° |
| C03 | C02 | N29 | 109.3° | 110.1° |
| C02 | C03 | C04 | 105.8° | 104.2° |
| C02 | C03 | H11 | 110.4° | 110.5° |
| C02 | C03 | H12 | 110.4° | 110.5° |
| C02 | N29 | C30 | 121.3° | 124.3° |
| C02 | N29 | C05 | 111.7° | 111.3° |
| C03 | C04 | C05 | 105.9° | 101.8° |
| C04 | C03 | H11 | 110.3° | 110.4° |
| C04 | C03 | H12 | 110.4° | 110.5° |
| C03 | C04 | H13 | 110.4° | 111.0° |
| C03 | C04 | H14 | 110.3° | 110.9° |
| O24 | C20 | N21 | 122.9° | 124.9° |
| O24 | C20 | C19 | 128.0° | 125.0° |
| C30 | N29 | C05 | 127.0° | 124.4° |
| N29 | C30 | C31 | 115.6° | 109.4° |
| N29 | C30 | H28 | 107.9° | 109.5° |
| N29 | C30 | H29 | 107.9° | 109.5° |
| N29 | C05 | C04 | 104.2° | 105.5° |
| N29 | C05 | C06 | 108.0° | 110.3° |
| N29 | C05 | H15 | 112.8° | 110.3° |
| C30 | C31 | C36 | 123.1° | 120.0° |
| C30 | C31 | C32 | 118.8° | 120.0° |
| C31 | C30 | H28 | 107.9° | 109.5° |
| C31 | C30 | H29 | 107.9° | 109.5° |
| N21 | C20 | C19 | 109.1° | 110.1° |
| C20 | N21 | C22 | 112.4° | 111.2° |
| C20 | N21 | H37 | 123.8° | 124.4° |
| C20 | C19 | C18 | 112.6° | 110.5° |
| C20 | C19 | C23 | 103.9° | 104.2° |
| C20 | C19 | H21 | 110.0° | 110.6° |
| C31 | C36 | C35 | 120.8° | 120.0° |
| C36 | C31 | C32 | 118.1° | 120.0° |
| C31 | C36 | H34 | 119.6° | 120.0° |
| C36 | C35 | C34 | 120.5° | 120.0° |
| C36 | C35 | H33 | 119.7° | 120.0° |
| C35 | C36 | H34 | 119.6° | 120.0° |
| N21 | C22 | C23 | 103.8° | 105.5° |
| N21 | C22 | H22 | 110.9° | 110.2° |
| N21 | C22 | H23 | 110.9° | 110.3° |
| C22 | N21 | H37 | 123.8° | 124.3° |
| C04 | C05 | C06 | 108.6° | 110.3° |
| C05 | C04 | H13 | 110.3° | 111.0° |
| C05 | C04 | H14 | 110.3° | 111.0° |
| C04 | C05 | H15 | 111.4° | 110.3° |
| C31 | C32 | C33 | 121.5° | 120.0° |
| C31 | C32 | H30 | 119.3° | 120.0° |
| O28 | C08 | O07 | 119.0° | 120.0° |
| O28 | C08 | N09 | 122.5° | 120.0° |
| C05 | C06 | O07 | 112.8° | 109.5° |
| C06 | C05 | H15 | 111.5° | 110.2° |
| C05 | C06 | H16 | 108.6° | 109.5° |
| C05 | C06 | H17 | 108.6° | 109.5° |
| C06 | O07 | C08 | 114.4° | 117.0° |
| O07 | C06 | H16 | 108.6° | 109.4° |
| O07 | C06 | H17 | 108.7° | 109.5° |
| C35 | C34 | C33 | 118.8° | 120.0° |
| C35 | C34 | H32 | 120.6° | 120.0° |
| C34 | C35 | H33 | 119.8° | 120.0° |
| O07 | C08 | N09 | 118.4° | 120.0° |
| C08 | N09 | C10 | 120.5° | 120.0° |
| C08 | N09 | H35 | 119.7° | 120.0° |
| C18 | C19 | C23 | 110.9° | 110.5° |
| C19 | C18 | C17 | 114.9° | 109.5° |
| C19 | C18 | H19 | 108.1° | 109.5° |
| C19 | C18 | H20 | 108.1° | 109.5° |
| C18 | C19 | H21 | 109.7° | 110.4° |
| C19 | C23 | C22 | 106.2° | 101.7° |
| C23 | C19 | H21 | 109.6° | 110.5° |
| C19 | C23 | H24 | 110.2° | 111.0° |
| C19 | C23 | H25 | 110.3° | 111.0° |
| C32 | C33 | C34 | 120.3° | 120.0° |
| C33 | C32 | H30 | 119.2° | 120.0° |
| C32 | C33 | H31 | 119.8° | 120.0° |
| C23 | C22 | H22 | 110.9° | 110.2° |
| C23 | C22 | H23 | 110.8° | 110.3° |
| C22 | C23 | H24 | 110.3° | 111.0° |
| C22 | C23 | H25 | 110.3° | 111.0° |
| C13 | C12 | C11 | 111.9° | 109.5° |
| C13 | C12 | C14 | 107.0° | 109.4° |
| C13 | C12 | H4 | 108.7° | 109.5° |
| C12 | C13 | H5 | 109.5° | 109.5° |
| C12 | C13 | H6 | 109.5° | 109.5° |
| C12 | C13 | H7 | 109.5° | 109.5° |
| C34 | C33 | H31 | 119.8° | 120.0° |
| C33 | C34 | H32 | 120.6° | 120.0° |
| C18 | C17 | N16 | 109.4° | 109.4° |
| C18 | C17 | C25 | 109.3° | 109.5° |
| C18 | C17 | H18 | 108.8° | 109.5° |
| C17 | C18 | H19 | 108.1° | 109.5° |
| C17 | C18 | H20 | 108.1° | 109.4° |
| N09 | C10 | C15 | 107.7° | 109.5° |
| N09 | C10 | C11 | 110.7° | 109.5° |
| N09 | C10 | H1 | 110.6° | 109.5° |
| C10 | N09 | H35 | 119.7° | 120.0° |
| C15 | C10 | C11 | 109.3° | 109.5° |
| C10 | C15 | N16 | 118.4° | 120.0° |
| C10 | C15 | O27 | 120.0° | 120.0° |
| C15 | C10 | H1 | 109.4° | 109.4° |
| C10 | C11 | C12 | 114.3° | 109.5° |
| C11 | C10 | H1 | 109.2° | 109.5° |
| C10 | C11 | H2 | 108.3° | 109.4° |
| C10 | C11 | H3 | 108.3° | 109.5° |
| C15 | N16 | C17 | 123.0° | 120.0° |
| N16 | C15 | O27 | 121.5° | 120.0° |
| C15 | N16 | H36 | 118.5° | 120.0° |
| N16 | C17 | C25 | 109.8° | 109.5° |
| N16 | C17 | H18 | 110.2° | 109.5° |
| C17 | N16 | H36 | 118.5° | 120.0° |
| C11 | C12 | C14 | 112.1° | 109.5° |
| C12 | C11 | H2 | 108.3° | 109.5° |
| C12 | C11 | H3 | 108.3° | 109.5° |
| C11 | C12 | H4 | 108.6° | 109.5° |
| C14 | C12 | H4 | 108.3° | 109.5° |
| C12 | C14 | H8 | 109.5° | 109.4° |
| C12 | C14 | H9 | 109.5° | 109.5° |
| C12 | C14 | H10 | 109.4° | 109.5° |
| C17 | C25 | O26 | 104.4° | 109.5° |
| C25 | C17 | H18 | 109.3° | 109.5° |
| C17 | C25 | S1 | 111.2° | 109.5° |
| C17 | C25 | H27 | 106.7° | 109.4° |
| O26 | C25 | S1 | 111.2° | 109.5° |
| O26 | C25 | H27 | 108.4° | 109.5° |
| C25 | O26 | H38 | 109.5° | 114.0° |
| H2 | C11 | H3 | 109.5° | 109.4° |
| H5 | C13 | H6 | 109.4° | 109.5° |
| H5 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.4° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H8 | C14 | H10 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 110.6° |
| H13 | C04 | H14 | 109.5° | 110.8° |
| H16 | C06 | H17 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H22 | C22 | H23 | 109.5° | 110.2° |
| H24 | C23 | H25 | 109.5° | 110.9° |
| S1 | C25 | H27 | 114.4° | 109.5° |
| C25 | S1 | O2 | 138.0° | 104.4° |
| C25 | S1 | O3 | 138.0° | 110.5° |
| C25 | S1 | O1 | 138.0° | 110.5° |
| H28 | C30 | H29 | 109.5° | 109.5° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O1 | 0.0° | 104.3° |
| S1 | O2 | H26 | 90.0° | 114.0° |
| O3 | S1 | O1 | 0.0° | 121.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | N29 | 178.4° | 179.8° |
| O01 | C02 | C03 | C04 | 169.8° | 163.9° |
| O01 | C02 | N29 | C30 | 1.6° | 0.5° |
| O01 | C02 | N29 | C05 | 179.6° | 179.4° |
| O01 | C02 | C03 | H11 | 50.4° | 45.4° |
| O01 | C02 | C03 | H12 | 70.7° | 77.4° |
| C02 | C03 | C04 | H11 | 119.4° | 118.6° |
| C02 | C03 | C04 | H12 | 119.4° | 118.7° |
| C03 | C02 | N29 | C30 | 180.0° | 179.6° |
| C03 | C02 | N29 | C05 | 1.2° | 0.4° |
| C02 | C03 | C04 | C05 | 17.0° | 24.8° |
| C02 | C03 | H11 | H12 | 121.7° | 122.7° |
| C02 | C03 | C04 | H13 | 102.4° | 93.4° |
| C02 | C03 | C04 | H14 | 136.5° | 142.9° |
| N29 | C02 | C03 | C04 | 11.7° | 16.3° |
| C02 | N29 | C30 | C05 | 178.6° | 179.9° |
| C02 | N29 | C30 | C31 | 93.1° | 90.1° |
| C02 | N29 | C05 | C04 | 9.4° | 17.0° |
| C02 | N29 | C05 | C06 | 105.9° | 102.0° |
| N29 | C02 | C03 | H11 | 131.2° | 134.8° |
| N29 | C02 | C03 | H12 | 107.7° | 102.5° |
| C02 | N29 | C05 | H15 | 130.4° | 136.1° |
| C02 | N29 | C30 | H28 | 146.0° | 29.9° |
| C02 | N29 | C30 | H29 | 27.8° | 149.9° |
| C03 | C04 | C05 | N29 | 16.2° | 25.4° |
| C03 | C04 | C05 | H13 | 119.5° | 118.2° |
| C03 | C04 | C05 | H14 | 119.4° | 118.1° |
| C03 | C04 | C05 | C06 | 98.7° | 93.6° |
| C04 | C03 | H11 | H12 | 121.7° | 122.6° |
| C03 | C04 | H13 | H14 | 121.6° | 123.8° |
| C03 | C04 | C05 | H15 | 138.1° | 144.5° |
| O24 | C20 | N21 | C19 | 179.3° | 180.0° |
| O24 | C20 | N21 | C22 | 179.6° | 179.6° |
| O24 | C20 | C19 | C18 | 47.7° | 45.1° |
| O24 | C20 | C19 | C23 | 167.7° | 163.8° |
| O24 | C20 | C19 | H21 | 75.0° | 77.5° |
| O24 | C20 | N21 | H37 | 0.4° | 0.5° |
| N29 | C30 | C31 | H28 | 120.9° | 120.0° |
| N29 | C30 | C31 | H29 | 120.9° | 120.0° |
| N29 | C30 | C31 | C36 | 54.5° | 90.3° |
| C30 | N29 | C05 | C04 | 169.2° | 163.0° |
| N29 | C30 | C31 | C32 | 124.3° | 90.0° |
| C30 | N29 | C05 | C06 | 75.4° | 77.9° |
| C30 | N29 | C05 | H15 | 48.3° | 44.0° |
| N29 | C30 | H28 | H29 | 117.2° | 120.0° |
| C05 | N29 | C30 | C31 | 85.5° | 90.0° |
| N29 | C05 | C04 | C06 | 114.9° | 119.1° |
| N29 | C05 | C04 | H15 | 121.9° | 119.0° |
| N29 | C05 | C06 | H15 | 124.5° | 121.9° |
| N29 | C05 | C06 | O07 | 74.3° | 62.5° |
| N29 | C05 | C04 | H13 | 103.3° | 92.7° |
| N29 | C05 | C04 | H14 | 135.6° | 143.5° |
| N29 | C05 | C06 | H16 | 165.2° | 57.4° |
| N29 | C05 | C06 | H17 | 46.2° | 177.4° |
| C05 | N29 | C30 | H28 | 35.4° | 150.0° |
| C05 | N29 | C30 | H29 | 153.7° | 30.0° |
| C30 | C31 | C36 | C32 | 178.8° | 179.7° |
| C30 | C31 | C36 | C35 | 179.4° | 179.7° |
| C30 | C31 | C32 | C33 | 179.9° | 180.0° |
| C31 | C30 | H28 | H29 | 117.2° | 120.0° |
| C30 | C31 | C32 | H30 | 0.1° | 0.0° |
| C30 | C31 | C36 | H34 | 0.6° | 0.0° |
| C20 | N21 | C22 | H37 | 180.0° | 180.0° |
| N21 | C20 | C19 | C18 | 133.1° | 135.0° |
| N21 | C20 | C19 | C23 | 13.0° | 16.3° |
| C20 | N21 | C22 | C23 | 12.6° | 17.0° |
| N21 | C20 | C19 | H21 | 104.3° | 102.5° |
| C20 | N21 | C22 | H22 | 106.5° | 136.0° |
| C20 | N21 | C22 | H23 | 131.7° | 102.1° |
| C19 | C20 | N21 | C22 | 0.3° | 0.4° |
| C20 | C19 | C18 | C23 | 116.0° | 114.8° |
| C20 | C19 | C18 | H21 | 122.8° | 122.7° |
| C20 | C19 | C23 | H21 | 117.5° | 118.9° |
| C20 | C19 | C23 | C22 | 20.3° | 24.8° |
| C20 | C19 | C18 | C17 | 178.1° | 179.6° |
| C20 | C19 | C18 | H19 | 61.1° | 59.6° |
| C20 | C19 | C18 | H20 | 57.3° | 60.4° |
| C20 | C19 | C23 | H24 | 99.1° | 93.3° |
| C20 | C19 | C23 | H25 | 139.8° | 143.0° |
| C19 | C20 | N21 | H37 | 179.7° | 179.6° |
| C31 | C36 | C35 | H34 | 180.0° | 179.7° |
| C31 | C36 | C35 | C34 | 0.0° | 0.6° |
| C36 | C31 | C32 | C33 | 1.0° | 0.3° |
| C36 | C31 | C30 | H28 | 175.4° | 29.7° |
| C36 | C31 | C30 | H29 | 66.4° | 149.7° |
| C36 | C31 | C32 | H30 | 179.0° | 179.7° |
| C31 | C36 | C35 | H33 | 180.0° | 179.7° |
| C35 | C36 | C31 | C32 | 0.6° | 0.6° |
| C36 | C35 | C34 | H33 | 180.0° | 179.7° |
| C36 | C35 | C34 | C33 | 0.2° | 0.3° |
| C36 | C35 | C34 | H32 | 179.8° | 179.7° |
| N21 | C22 | C23 | C19 | 20.1° | 25.4° |
| N21 | C22 | C23 | H22 | 119.1° | 119.0° |
| N21 | C22 | C23 | H23 | 119.1° | 119.1° |
| N21 | C22 | H22 | H23 | 122.6° | 122.0° |
| N21 | C22 | C23 | H24 | 99.4° | 92.7° |
| N21 | C22 | C23 | H25 | 139.6° | 143.6° |
| C04 | C05 | C06 | H15 | 123.0° | 122.0° |
| C04 | C05 | C06 | O07 | 173.2° | 53.6° |
| C05 | C04 | C03 | H11 | 136.5° | 143.4° |
| C05 | C04 | C03 | H12 | 102.4° | 93.9° |
| C05 | C04 | H13 | H14 | 121.6° | 123.8° |
| C04 | C05 | C06 | H16 | 52.7° | 173.5° |
| C04 | C05 | C06 | H17 | 66.3° | 66.5° |
| C31 | C32 | C33 | H30 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.8° | 0.0° |
| C32 | C31 | C30 | H28 | 3.4° | 150.0° |
| C32 | C31 | C30 | H29 | 114.8° | 30.0° |
| C31 | C32 | C33 | H31 | 179.2° | 180.0° |
| C32 | C31 | C36 | H34 | 179.4° | 179.7° |
| O28 | C08 | O07 | C06 | 19.9° | 0.0° |
| O28 | C08 | O07 | N09 | 179.8° | 180.0° |
| O28 | C08 | N09 | C10 | 8.1° | 0.0° |
| O28 | C08 | N09 | H35 | 171.9° | 180.0° |
| C05 | C06 | O07 | H16 | 120.5° | 120.0° |
| C05 | C06 | O07 | H17 | 120.5° | 120.0° |
| C05 | C06 | O07 | C08 | 171.0° | 180.0° |
| C06 | C05 | C04 | H13 | 141.8° | 148.2° |
| C06 | C05 | C04 | H14 | 20.7° | 24.4° |
| C05 | C06 | H16 | H17 | 118.5° | 120.0° |
| C06 | O07 | C08 | N09 | 159.8° | 180.0° |
| O07 | C06 | C05 | H15 | 50.2° | 175.5° |
| O07 | C06 | H16 | H17 | 118.5° | 120.0° |
| C35 | C34 | C33 | C32 | 0.2° | 0.0° |
| C35 | C34 | C33 | H32 | 180.0° | 180.0° |
| C35 | C34 | C33 | H31 | 179.8° | 180.0° |
| C34 | C35 | C36 | H34 | 180.0° | 179.7° |
| O07 | C08 | N09 | C10 | 171.7° | 180.0° |
| C08 | O07 | C06 | H16 | 50.5° | 60.0° |
| C08 | O07 | C06 | H17 | 68.5° | 59.9° |
| O07 | C08 | N09 | H35 | 8.3° | 0.0° |
| C08 | N09 | C10 | H35 | 180.0° | 180.0° |
| C08 | N09 | C10 | C15 | 57.8° | 155.0° |
| C08 | N09 | C10 | C11 | 177.3° | 85.0° |
| C08 | N09 | C10 | H1 | 61.6° | 35.0° |
| C18 | C19 | C23 | H21 | 121.2° | 122.5° |
| C18 | C19 | C23 | C22 | 141.6° | 143.5° |
| C19 | C18 | C17 | H19 | 120.8° | 120.1° |
| C19 | C18 | C17 | H20 | 120.8° | 120.0° |
| C19 | C18 | C17 | N16 | 63.2° | 63.6° |
| C19 | C18 | C17 | C25 | 176.6° | 176.5° |
| C19 | C18 | C17 | H18 | 57.2° | 56.4° |
| C19 | C18 | H19 | H20 | 117.5° | 120.0° |
| C18 | C19 | C23 | H24 | 22.1° | 25.4° |
| C18 | C19 | C23 | H25 | 98.9° | 98.4° |
| C19 | C23 | C22 | H24 | 119.5° | 118.1° |
| C19 | C23 | C22 | H25 | 119.5° | 118.1° |
| C23 | C19 | C18 | C17 | 65.9° | 65.6° |
| C23 | C19 | C18 | H19 | 54.8° | 174.4° |
| C23 | C19 | C18 | H20 | 173.3° | 54.4° |
| C19 | C23 | C22 | H22 | 99.0° | 144.4° |
| C19 | C23 | C22 | H23 | 139.2° | 93.7° |
| C19 | C23 | H24 | H25 | 121.5° | 123.8° |
| C32 | C33 | C34 | H31 | 180.0° | 180.0° |
| C32 | C33 | C34 | H32 | 179.8° | 180.0° |
| C22 | C23 | C19 | H21 | 97.2° | 94.0° |
| C23 | C22 | H22 | H23 | 122.6° | 121.9° |
| C22 | C23 | H24 | H25 | 121.5° | 123.8° |
| C23 | C22 | N21 | H37 | 167.4° | 162.9° |
| C13 | C12 | C11 | C10 | 65.1° | 175.0° |
| C13 | C12 | C11 | C14 | 120.3° | 120.0° |
| C13 | C12 | C11 | H4 | 120.0° | 120.0° |
| C13 | C12 | C14 | H4 | 117.0° | 120.0° |
| C13 | C12 | C11 | H2 | 174.2° | 55.0° |
| C13 | C12 | C11 | H3 | 55.6° | 65.0° |
| C12 | C13 | H5 | H6 | 120.0° | 120.0° |
| C12 | C13 | H5 | H7 | 120.0° | 120.0° |
| C12 | C13 | H6 | H7 | 120.0° | 120.0° |
| C13 | C12 | C14 | H8 | 180.0° | 180.0° |
| C13 | C12 | C14 | H9 | 60.0° | 60.0° |
| C13 | C12 | C14 | H10 | 60.0° | 60.0° |
| C34 | C33 | C32 | H30 | 179.1° | 180.0° |
| C33 | C34 | C35 | H33 | 179.8° | 180.0° |
| C18 | C17 | N16 | C15 | 107.9° | 57.5° |
| C18 | C17 | N16 | C25 | 119.9° | 120.0° |
| C18 | C17 | N16 | H18 | 119.5° | 120.0° |
| C18 | C17 | C25 | H18 | 118.9° | 120.0° |
| C18 | C17 | C25 | O26 | 176.8° | 59.2° |
| C17 | C18 | H19 | H20 | 117.6° | 119.9° |
| C17 | C18 | C19 | H21 | 55.3° | 57.0° |
| C18 | C17 | C25 | S1 | 63.3° | 179.2° |
| C18 | C17 | C25 | H27 | 62.1° | 60.8° |
| C18 | C17 | N16 | H36 | 72.1° | 122.6° |
| N09 | C10 | C15 | C11 | 120.3° | 120.0° |
| N09 | C10 | C15 | H1 | 120.2° | 120.0° |
| N09 | C10 | C11 | H1 | 121.9° | 120.0° |
| N09 | C10 | C15 | N16 | 144.2° | 180.0° |
| N09 | C10 | C15 | O27 | 33.9° | 0.0° |
| N09 | C10 | C11 | C12 | 59.3° | 65.0° |
| N09 | C10 | C11 | H2 | 61.4° | 55.0° |
| N09 | C10 | C11 | H3 | 180.0° | 174.9° |
| C15 | C10 | C11 | H1 | 119.6° | 119.9° |
| C10 | C15 | N16 | O27 | 178.1° | 180.0° |
| C10 | C15 | N16 | C17 | 179.0° | 175.0° |
| C15 | C10 | C11 | C12 | 177.7° | 175.0° |
| C15 | C10 | C11 | H2 | 57.0° | 65.0° |
| C15 | C10 | C11 | H3 | 61.6° | 54.9° |
| C15 | C10 | N09 | H35 | 122.2° | 25.0° |
| C10 | C15 | N16 | H36 | 1.1° | 5.1° |
| C11 | C10 | C15 | N16 | 95.5° | 59.9° |
| C11 | C10 | C15 | O27 | 86.4° | 120.0° |
| C10 | C11 | C12 | H2 | 120.7° | 120.0° |
| C10 | C11 | C12 | H3 | 120.7° | 120.0° |
| C10 | C11 | C12 | C14 | 174.5° | 65.0° |
| C10 | C11 | H2 | H3 | 117.8° | 119.9° |
| C10 | C11 | C12 | H4 | 54.9° | 55.0° |
| C11 | C10 | N09 | H35 | 2.7° | 95.0° |
| C15 | N16 | C17 | H36 | 180.0° | 179.9° |
| C15 | N16 | C17 | C25 | 132.1° | 62.5° |
| N16 | C15 | C10 | H1 | 24.0° | 60.0° |
| C15 | N16 | C17 | H18 | 11.6° | 177.5° |
| C17 | N16 | C15 | O27 | 0.9° | 5.0° |
| N16 | C17 | C25 | H18 | 121.0° | 120.0° |
| N16 | C17 | C25 | O26 | 63.2° | 179.1° |
| N16 | C17 | C18 | H19 | 176.0° | 56.5° |
| N16 | C17 | C18 | H20 | 57.6° | 176.5° |
| N16 | C17 | C25 | S1 | 56.8° | 60.9° |
| N16 | C17 | C25 | H27 | 177.9° | 59.2° |
| O27 | C15 | C10 | H1 | 154.1° | 120.0° |
| O27 | C15 | N16 | H36 | 179.1° | 174.9° |
| C11 | C12 | C14 | H4 | 119.8° | 120.0° |
| C12 | C11 | C10 | H1 | 62.7° | 55.0° |
| C12 | C11 | H2 | H3 | 117.8° | 120.1° |
| C11 | C12 | C13 | H5 | 180.0° | 60.0° |
| C11 | C12 | C13 | H6 | 60.0° | 180.0° |
| C11 | C12 | C13 | H7 | 60.0° | 60.0° |
| C11 | C12 | C14 | H8 | 56.9° | 60.0° |
| C11 | C12 | C14 | H9 | 63.1° | 180.0° |
| C11 | C12 | C14 | H10 | 176.9° | 60.0° |
| C14 | C12 | C11 | H2 | 53.8° | 175.0° |
| C14 | C12 | C11 | H3 | 64.8° | 55.0° |
| C14 | C12 | C13 | H5 | 56.7° | 60.0° |
| C14 | C12 | C13 | H6 | 63.3° | 60.0° |
| C14 | C12 | C13 | H7 | 176.7° | 180.0° |
| C12 | C14 | H8 | H9 | 120.0° | 120.0° |
| C12 | C14 | H8 | H10 | 120.0° | 120.0° |
| C12 | C14 | H9 | H10 | 120.0° | 120.0° |
| C17 | C25 | O26 | S1 | 120.0° | 120.0° |
| C17 | C25 | O26 | H27 | 113.5° | 120.0° |
| C25 | C17 | C18 | H19 | 55.8° | 63.5° |
| C25 | C17 | C18 | H20 | 62.7° | 56.5° |
| C17 | C25 | S1 | H27 | 121.0° | 120.0° |
| C25 | C17 | N16 | H36 | 47.8° | 117.4° |
| C17 | C25 | O26 | H38 | 180.0° | 60.0° |
| C17 | C25 | S1 | O2 | 78.0° | 61.4° |
| C17 | C25 | S1 | O3 | 78.0° | 50.2° |
| C17 | C25 | S1 | O1 | 78.0° | 173.0° |
| O26 | C25 | C17 | H18 | 57.8° | 60.8° |
| O26 | C25 | S1 | H27 | 123.2° | 120.0° |
| O26 | C25 | S1 | O2 | 166.1° | 178.6° |
| O26 | C25 | S1 | O3 | 166.1° | 69.8° |
| O26 | C25 | S1 | O1 | 166.1° | 67.0° |
| H1 | C10 | C11 | H2 | 176.6° | 175.1° |
| H1 | C10 | C11 | H3 | 58.0° | 65.0° |
| H1 | C10 | N09 | H35 | 118.4° | 145.0° |
| H2 | C11 | C12 | H4 | 65.8° | 64.9° |
| H3 | C11 | C12 | H4 | 175.6° | 175.0° |
| H4 | C12 | C13 | H5 | 60.1° | 180.0° |
| H4 | C12 | C13 | H6 | 179.9° | 60.0° |
| H4 | C12 | C13 | H7 | 60.0° | 60.0° |
| H4 | C12 | C14 | H8 | 63.0° | 60.0° |
| H4 | C12 | C14 | H9 | 177.0° | 59.9° |
| H4 | C12 | C14 | H10 | 57.0° | 180.0° |
| H5 | C13 | H6 | H7 | 120.0° | 120.0° |
| H8 | C14 | H9 | H10 | 120.0° | 120.0° |
| H11 | C03 | C04 | H13 | 17.0° | 25.3° |
| H11 | C03 | C04 | H14 | 104.1° | 98.4° |
| H12 | C03 | C04 | H13 | 138.2° | 147.9° |
| H12 | C03 | C04 | H14 | 17.0° | 24.2° |
| H13 | C04 | C05 | H15 | 18.7° | 26.3° |
| H14 | C04 | C05 | H15 | 102.4° | 97.5° |
| H15 | C05 | C06 | H16 | 70.3° | 64.5° |
| H15 | C05 | C06 | H17 | 170.7° | 55.5° |
| H18 | C17 | C18 | H19 | 63.5° | 176.5° |
| H18 | C17 | C18 | H20 | 178.0° | 63.5° |
| H18 | C17 | C25 | S1 | 177.8° | 59.2° |
| H18 | C17 | C25 | H27 | 56.8° | 179.2° |
| H18 | C17 | N16 | H36 | 168.4° | 2.6° |
| H19 | C18 | C19 | H21 | 176.1° | 63.1° |
| H20 | C18 | C19 | H21 | 65.5° | 176.9° |
| H21 | C19 | C23 | H24 | 143.3° | 147.9° |
| H21 | C19 | C23 | H25 | 22.3° | 24.1° |
| H22 | C22 | C23 | H24 | 141.5° | 26.3° |
| H22 | C22 | C23 | H25 | 20.5° | 97.4° |
| H22 | C22 | N21 | H37 | 73.5° | 44.0° |
| H23 | C22 | C23 | H24 | 19.7° | 148.2° |
| H23 | C22 | C23 | H25 | 101.3° | 24.5° |
| H23 | C22 | N21 | H37 | 48.3° | 78.0° |
| S1 | C25 | O26 | H38 | 60.0° | 180.0° |
| C25 | S1 | O2 | O3 | 90.0° | 116.1° |
| C25 | S1 | O2 | O1 | 90.0° | 116.0° |
| C25 | S1 | O3 | O1 | 90.0° | 131.5° |
| C25 | S1 | O2 | H26 | 90.0° | 180.0° |
| H27 | C25 | O26 | H38 | 66.5° | 59.9° |
| H27 | C25 | S1 | O2 | 43.0° | 58.6° |
| H27 | C25 | S1 | O3 | 43.0° | 170.2° |
| H27 | C25 | S1 | O1 | 43.0° | 53.0° |
| H30 | C32 | C33 | H31 | 0.8° | 0.0° |
| H31 | C33 | C34 | H32 | 0.2° | 0.0° |
| H32 | C34 | C35 | H33 | 0.1° | 0.0° |
| H33 | C35 | C36 | H34 | 0.1° | 0.0° |
| O2 | S1 | O3 | O1 | 90.0° | 116.8° |
| O3 | S1 | O2 | H26 | 90.0° | 63.9° |
| O1 | S1 | O2 | H26 | 90.0° | 64.0° |
