A1H91
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O34 | S31 | doub | 1.42Å | 1.44Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.56Å | |
| C27 | C20 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| F29 | C28 | sing | 1.35Å | 1.33Å | |
| C20 | N19 | sing | 1.47Å | 1.53Å | |
| O32 | S31 | doub | 1.42Å | 1.45Å | |
| S31 | N33 | sing | 1.66Å | 1.67Å | |
| S31 | C30 | sing | 1.76Å | 1.76Å | |
| C28 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C18 | sing | 1.39Å | 1.44Å | Aromatic |
| C30 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| N19 | C18 | sing | 1.40Å | 1.43Å | |
| C18 | C10 | doub | 1.39Å | 1.45Å | Aromatic |
| C2 | F1 | sing | 1.35Å | 1.33Å | |
| C2 | C3 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | S11 | sing | 1.76Å | 1.85Å | |
| C3 | N4 | sing | 1.40Å | 1.41Å | |
| C12 | S11 | sing | 1.81Å | 1.81Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | O15 | sing | 1.43Å | 1.42Å | |
| O17 | S11 | doub | 1.42Å | 1.45Å | |
| S11 | O16 | doub | 1.42Å | 1.44Å | |
| N4 | C5 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | O9 | sing | 1.43Å | 1.41Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| N33 | H5 | sing | 0.97Å | 1.00Å | |
| N33 | H6 | sing | 0.97Å | 1.00Å | |
| O15 | H7 | sing | 0.97Å | 0.95Å | |
| N4 | H8 | sing | 1.01Å | 1.00Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| O9 | H17 | sing | 0.97Å | 0.95Å | |
| N19 | H18 | sing | 1.01Å | 1.00Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C13 | H34 | sing | 1.09Å | 1.10Å | |
| C12 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O34 | S31 | O32 | 121.5° | 123.2° |
| O34 | S31 | N33 | 103.7° | 106.4° |
| O34 | S31 | C30 | 108.8° | 106.4° |
| C21 | C22 | C23 | 124.2° | 109.5° |
| C22 | C21 | C20 | 131.0° | 109.4° |
| C21 | C22 | H30 | 105.6° | 109.4° |
| C21 | C22 | H31 | 105.6° | 109.5° |
| C22 | C21 | H32 | 103.9° | 109.5° |
| C22 | C21 | H33 | 103.9° | 109.5° |
| C22 | C23 | C24 | 124.5° | 109.5° |
| C22 | C23 | H28 | 105.6° | 109.5° |
| C22 | C23 | H29 | 105.6° | 109.5° |
| C23 | C22 | H30 | 105.7° | 109.5° |
| C23 | C22 | H31 | 105.7° | 109.5° |
| C24 | C25 | C26 | 122.9° | 109.5° |
| C25 | C24 | C23 | 120.5° | 109.4° |
| C24 | C25 | H24 | 106.0° | 109.5° |
| C24 | C25 | H25 | 106.0° | 109.4° |
| C25 | C24 | H26 | 106.6° | 109.5° |
| C25 | C24 | H27 | 106.6° | 109.5° |
| C25 | C26 | C27 | 127.1° | 109.5° |
| C25 | C26 | H22 | 104.9° | 109.5° |
| C25 | C26 | H23 | 104.9° | 109.4° |
| C26 | C25 | H24 | 106.0° | 109.5° |
| C26 | C25 | H25 | 106.0° | 109.4° |
| C21 | C20 | C27 | 122.5° | 109.5° |
| C21 | C20 | N19 | 114.0° | 109.4° |
| C21 | C20 | H19 | 103.7° | 109.5° |
| C20 | C21 | H32 | 103.8° | 109.4° |
| C20 | C21 | H33 | 103.9° | 109.5° |
| C20 | C27 | C26 | 123.7° | 109.5° |
| C27 | C20 | N19 | 106.8° | 109.5° |
| C27 | C20 | H19 | 103.9° | 109.5° |
| C20 | C27 | H20 | 105.8° | 109.5° |
| C20 | C27 | H21 | 105.8° | 109.5° |
| C26 | C27 | H20 | 105.8° | 109.5° |
| C26 | C27 | H21 | 105.8° | 109.5° |
| C27 | C26 | H22 | 104.9° | 109.5° |
| C27 | C26 | H23 | 104.9° | 109.5° |
| C23 | C24 | H26 | 106.6° | 109.5° |
| C23 | C24 | H27 | 106.7° | 109.5° |
| C24 | C23 | H28 | 105.6° | 109.5° |
| C24 | C23 | H29 | 105.6° | 109.5° |
| F29 | C28 | C30 | 115.5° | 120.0° |
| F29 | C28 | C18 | 119.6° | 119.9° |
| C20 | N19 | C18 | 123.1° | 111.0° |
| C20 | N19 | H18 | 106.0° | 111.0° |
| N19 | C20 | H19 | 103.8° | 109.5° |
| O32 | S31 | N33 | 103.6° | 106.5° |
| O32 | S31 | C30 | 111.7° | 106.4° |
| N33 | S31 | C30 | 106.1° | 107.2° |
| S31 | N33 | H5 | 109.5° | 120.0° |
| S31 | N33 | H6 | 109.4° | 120.0° |
| S31 | C30 | C28 | 120.3° | 119.9° |
| S31 | C30 | C2 | 122.4° | 119.9° |
| C30 | C28 | C18 | 124.9° | 120.1° |
| C28 | C30 | C2 | 117.3° | 120.1° |
| C28 | C18 | N19 | 117.9° | 120.1° |
| C28 | C18 | C10 | 116.8° | 119.9° |
| C30 | C2 | F1 | 120.6° | 120.0° |
| C30 | C2 | C3 | 121.6° | 120.1° |
| N19 | C18 | C10 | 125.3° | 120.0° |
| C18 | N19 | H18 | 106.0° | 111.0° |
| C18 | C10 | C3 | 117.1° | 119.9° |
| C18 | C10 | S11 | 124.1° | 120.0° |
| F1 | C2 | C3 | 117.8° | 119.9° |
| C2 | C3 | C10 | 122.1° | 119.9° |
| C2 | C3 | N4 | 117.4° | 120.1° |
| C3 | C10 | S11 | 118.7° | 120.1° |
| C10 | C3 | N4 | 120.4° | 120.0° |
| C10 | S11 | C12 | 107.0° | 104.4° |
| C10 | S11 | O17 | 105.9° | 104.3° |
| C10 | S11 | O16 | 112.8° | 104.3° |
| C3 | N4 | C5 | 111.1° | 111.0° |
| C3 | N4 | H8 | 109.1° | 111.0° |
| S11 | C12 | C13 | 121.4° | 109.4° |
| C12 | S11 | O17 | 107.2° | 110.5° |
| C12 | S11 | O16 | 105.1° | 110.5° |
| S11 | C12 | H2 | 106.4° | 109.5° |
| S11 | C12 | H35 | 106.4° | 109.5° |
| C12 | C13 | C14 | 118.5° | 109.4° |
| C12 | C13 | H1 | 107.2° | 109.5° |
| C13 | C12 | H2 | 106.4° | 109.5° |
| C12 | C13 | H34 | 107.2° | 109.5° |
| C13 | C12 | H35 | 106.4° | 109.5° |
| C13 | C14 | O15 | 110.1° | 109.4° |
| C14 | C13 | H1 | 107.2° | 109.5° |
| C13 | C14 | H3 | 109.3° | 109.5° |
| C13 | C14 | H4 | 109.3° | 109.5° |
| C14 | C13 | H34 | 107.2° | 109.5° |
| O15 | C14 | H3 | 109.3° | 109.5° |
| O15 | C14 | H4 | 109.3° | 109.5° |
| C14 | O15 | H7 | 109.5° | 114.0° |
| O17 | S11 | O16 | 118.2° | 121.0° |
| N4 | C5 | C6 | 106.9° | 109.5° |
| C5 | N4 | H8 | 109.1° | 111.0° |
| N4 | C5 | H9 | 110.1° | 109.5° |
| N4 | C5 | H10 | 110.2° | 109.5° |
| C5 | C6 | C7 | 109.4° | 109.5° |
| C6 | C5 | H9 | 110.1° | 109.5° |
| C6 | C5 | H10 | 110.1° | 109.5° |
| C5 | C6 | H11 | 109.5° | 109.5° |
| C5 | C6 | H12 | 109.5° | 109.5° |
| C6 | C7 | C8 | 107.8° | 109.5° |
| C7 | C6 | H11 | 109.5° | 109.5° |
| C7 | C6 | H12 | 109.5° | 109.5° |
| C6 | C7 | H13 | 109.9° | 109.5° |
| C6 | C7 | H14 | 109.9° | 109.5° |
| C7 | C8 | O9 | 113.6° | 109.5° |
| C8 | C7 | H13 | 109.9° | 109.5° |
| C8 | C7 | H14 | 109.9° | 109.5° |
| C7 | C8 | H15 | 108.4° | 109.5° |
| C7 | C8 | H16 | 108.5° | 109.5° |
| O9 | C8 | H15 | 108.5° | 109.5° |
| O9 | C8 | H16 | 108.4° | 109.5° |
| C8 | O9 | H17 | 109.5° | 114.0° |
| H1 | C13 | H34 | 109.5° | 109.5° |
| H2 | C12 | H35 | 109.5° | 109.5° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H5 | N33 | H6 | 109.5° | 120.0° |
| H9 | C5 | H10 | 109.4° | 109.5° |
| H11 | C6 | H12 | 109.5° | 109.5° |
| H13 | C7 | H14 | 109.5° | 109.4° |
| H15 | C8 | H16 | 109.4° | 109.5° |
| H20 | C27 | H21 | 109.5° | 109.4° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H26 | C24 | H27 | 109.5° | 109.5° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H30 | C22 | H31 | 109.5° | 109.5° |
| H32 | C21 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O34 | S31 | O32 | N33 | 115.7° | 123.0° |
| O34 | S31 | O32 | C30 | 130.5° | 122.9° |
| O34 | S31 | N33 | C30 | 114.5° | 113.5° |
| O34 | S31 | C30 | C28 | 67.8° | 156.4° |
| O34 | S31 | C30 | C2 | 112.3° | 23.5° |
| O34 | S31 | N33 | H5 | 180.0° | 6.5° |
| O34 | S31 | N33 | H6 | 60.0° | 173.5° |
| C21 | C22 | C23 | H30 | 122.0° | 119.9° |
| C21 | C22 | C23 | H31 | 122.0° | 120.0° |
| C22 | C21 | C20 | H32 | 122.8° | 119.9° |
| C22 | C21 | C20 | H33 | 122.7° | 120.0° |
| C22 | C21 | C20 | C27 | 33.4° | 75.9° |
| C21 | C22 | C23 | C24 | 88.6° | 113.0° |
| C22 | C21 | C20 | N19 | 97.8° | 164.1° |
| C22 | C21 | C20 | H19 | 150.0° | 44.1° |
| C21 | C22 | C23 | H28 | 33.5° | 7.0° |
| C21 | C22 | C23 | H29 | 149.4° | 127.0° |
| C21 | C22 | H30 | H31 | 113.3° | 120.0° |
| C22 | C21 | H32 | H33 | 110.4° | 120.1° |
| C22 | C23 | C24 | C25 | 43.4° | 75.9° |
| C23 | C22 | C21 | C20 | 33.0° | 44.0° |
| C22 | C23 | C24 | H28 | 122.1° | 120.0° |
| C22 | C23 | C24 | H29 | 122.0° | 120.0° |
| C22 | C23 | C24 | H26 | 78.1° | 164.1° |
| C22 | C23 | C24 | H27 | 165.0° | 44.0° |
| C22 | C23 | H28 | H29 | 113.2° | 120.0° |
| C23 | C22 | H30 | H31 | 113.4° | 120.0° |
| C23 | C22 | C21 | H32 | 155.7° | 164.0° |
| C23 | C22 | C21 | H33 | 89.8° | 75.9° |
| C24 | C25 | C26 | H24 | 121.8° | 120.0° |
| C24 | C25 | C26 | H25 | 121.9° | 120.0° |
| C24 | C25 | C26 | C27 | 86.7° | 112.9° |
| C25 | C24 | C23 | H26 | 121.6° | 120.0° |
| C25 | C24 | C23 | H27 | 121.5° | 120.0° |
| C24 | C25 | C26 | H22 | 35.6° | 127.1° |
| C24 | C25 | C26 | H23 | 151.0° | 7.0° |
| C24 | C25 | H24 | H25 | 114.0° | 120.0° |
| C25 | C24 | H26 | H27 | 115.0° | 120.0° |
| C25 | C24 | C23 | H28 | 78.6° | 44.1° |
| C25 | C24 | C23 | H29 | 165.5° | 164.0° |
| C25 | C26 | C27 | C20 | 74.7° | 44.0° |
| C25 | C26 | C27 | H22 | 122.3° | 120.0° |
| C25 | C26 | C27 | H23 | 122.3° | 119.9° |
| C26 | C25 | C24 | C23 | 41.0° | 76.0° |
| C25 | C26 | C27 | H20 | 47.2° | 76.0° |
| C25 | C26 | C27 | H21 | 163.3° | 164.0° |
| C25 | C26 | H22 | H23 | 112.1° | 120.0° |
| C26 | C25 | H24 | H25 | 113.9° | 120.0° |
| C26 | C25 | C24 | H26 | 162.5° | 164.0° |
| C26 | C25 | C24 | H27 | 80.6° | 44.0° |
| C21 | C20 | C27 | N19 | 134.1° | 120.0° |
| C21 | C20 | C27 | H19 | 116.5° | 120.0° |
| C21 | C20 | C27 | C26 | 58.4° | 76.0° |
| C21 | C20 | N19 | H19 | 112.1° | 120.0° |
| C21 | C20 | N19 | C18 | 101.8° | 82.0° |
| C21 | C20 | N19 | H18 | 20.1° | 42.0° |
| C21 | C20 | C27 | H20 | 63.5° | 164.0° |
| C21 | C20 | C27 | H21 | 179.6° | 44.1° |
| C20 | C21 | C22 | H30 | 154.9° | 164.0° |
| C20 | C21 | C22 | H31 | 89.1° | 76.0° |
| C20 | C21 | H32 | H33 | 110.4° | 120.0° |
| C20 | C27 | C26 | H20 | 122.0° | 120.0° |
| C20 | C27 | C26 | H21 | 121.9° | 120.0° |
| C27 | C20 | N19 | H19 | 109.4° | 120.0° |
| C27 | C20 | N19 | C18 | 119.7° | 158.0° |
| C27 | C20 | N19 | H18 | 118.4° | 78.0° |
| C20 | C27 | H20 | H21 | 113.6° | 120.0° |
| C20 | C27 | C26 | H22 | 47.6° | 164.0° |
| C20 | C27 | C26 | H23 | 163.0° | 75.9° |
| C27 | C20 | C21 | H32 | 89.4° | 44.0° |
| C27 | C20 | C21 | H33 | 156.1° | 164.1° |
| C26 | C27 | C20 | N19 | 75.7° | 164.1° |
| C26 | C27 | C20 | H19 | 174.9° | 44.1° |
| C26 | C27 | H20 | H21 | 113.6° | 120.0° |
| C27 | C26 | H22 | H23 | 112.1° | 120.0° |
| C27 | C26 | C25 | H24 | 151.5° | 7.1° |
| C27 | C26 | C25 | H25 | 35.1° | 127.1° |
| C23 | C24 | C25 | H24 | 162.8° | 44.0° |
| C23 | C24 | C25 | H25 | 80.9° | 164.0° |
| C23 | C24 | H26 | H27 | 115.0° | 120.0° |
| C24 | C23 | H28 | H29 | 113.2° | 120.0° |
| C24 | C23 | C22 | H30 | 149.4° | 127.1° |
| C24 | C23 | C22 | H31 | 33.4° | 7.1° |
| F29 | C28 | C30 | S31 | 0.4° | 0.1° |
| F29 | C28 | C30 | C18 | 178.7° | 179.2° |
| F29 | C28 | C30 | C2 | 179.5° | 180.0° |
| F29 | C28 | C18 | N19 | 1.7° | 0.3° |
| F29 | C28 | C18 | C10 | 179.1° | 179.7° |
| C20 | N19 | C18 | C28 | 28.6° | 88.3° |
| C20 | N19 | C18 | H18 | 121.9° | 124.0° |
| C20 | N19 | C18 | C10 | 154.3° | 91.7° |
| N19 | C20 | C27 | H20 | 162.4° | 44.0° |
| N19 | C20 | C27 | H21 | 46.3° | 75.9° |
| N19 | C20 | C21 | H32 | 139.4° | 76.0° |
| N19 | C20 | C21 | H33 | 24.9° | 44.1° |
| O32 | S31 | N33 | C30 | 117.8° | 113.6° |
| O32 | S31 | C30 | C28 | 68.9° | 23.5° |
| O32 | S31 | C30 | C2 | 111.0° | 156.4° |
| O32 | S31 | N33 | H5 | 52.3° | 126.4° |
| O32 | S31 | N33 | H6 | 172.3° | 53.5° |
| N33 | S31 | C30 | C28 | 178.9° | 90.1° |
| N33 | S31 | C30 | C2 | 1.2° | 90.0° |
| S31 | N33 | H5 | H6 | 120.0° | 179.9° |
| S31 | C30 | C28 | C2 | 179.9° | 179.9° |
| S31 | C30 | C28 | C18 | 178.3° | 179.2° |
| S31 | C30 | C2 | F1 | 0.2° | 0.0° |
| S31 | C30 | C2 | C3 | 179.2° | 179.4° |
| C30 | S31 | N33 | H5 | 65.5° | 120.0° |
| C30 | S31 | N33 | H6 | 54.5° | 60.0° |
| C30 | C28 | C18 | N19 | 179.6° | 179.5° |
| C30 | C28 | C18 | C10 | 2.3° | 0.5° |
| C28 | C30 | C2 | F1 | 179.9° | 180.0° |
| C28 | C30 | C2 | C3 | 0.9° | 0.5° |
| C18 | C28 | C30 | C2 | 1.8° | 0.8° |
| C28 | C18 | N19 | C10 | 177.1° | 180.0° |
| C28 | C18 | C10 | C3 | 1.8° | 0.0° |
| C28 | C18 | C10 | S11 | 178.9° | 179.7° |
| C28 | C18 | N19 | H18 | 93.3° | 35.7° |
| C30 | C2 | F1 | C3 | 179.1° | 179.4° |
| C30 | C2 | C3 | C10 | 0.6° | 0.0° |
| C30 | C2 | C3 | N4 | 179.9° | 180.0° |
| N19 | C18 | C10 | C3 | 178.9° | 180.0° |
| N19 | C18 | C10 | S11 | 4.0° | 0.3° |
| C18 | N19 | C20 | H19 | 10.3° | 38.0° |
| C18 | C10 | C3 | C2 | 1.0° | 0.3° |
| C18 | C10 | C3 | S11 | 177.3° | 179.7° |
| C18 | C10 | C3 | N4 | 179.5° | 179.7° |
| C18 | C10 | S11 | C12 | 77.5° | 90.3° |
| C18 | C10 | S11 | O17 | 36.6° | 153.6° |
| C18 | C10 | S11 | O16 | 167.3° | 25.8° |
| C10 | C18 | N19 | H18 | 83.8° | 144.3° |
| F1 | C2 | C3 | C10 | 179.7° | 179.4° |
| F1 | C2 | C3 | N4 | 0.8° | 0.6° |
| C2 | C3 | C10 | N4 | 179.5° | 180.0° |
| C2 | C3 | C10 | S11 | 178.3° | 180.0° |
| C2 | C3 | N4 | C5 | 76.2° | 60.0° |
| C2 | C3 | N4 | H8 | 163.5° | 63.9° |
| C3 | C10 | S11 | C12 | 99.6° | 90.0° |
| C3 | C10 | S11 | O17 | 146.3° | 26.0° |
| C3 | C10 | S11 | O16 | 15.6° | 153.9° |
| C10 | C3 | N4 | C5 | 103.3° | 120.0° |
| C10 | C3 | N4 | H8 | 17.0° | 116.1° |
| S11 | C10 | C3 | N4 | 2.2° | 0.0° |
| C10 | S11 | C12 | O17 | 113.2° | 111.6° |
| C10 | S11 | C12 | O16 | 120.2° | 111.6° |
| C10 | S11 | C12 | C13 | 174.7° | 180.0° |
| C10 | S11 | O17 | O16 | 127.6° | 116.8° |
| C10 | S11 | C12 | H2 | 63.6° | 60.0° |
| C10 | S11 | C12 | H35 | 53.1° | 60.0° |
| C3 | N4 | C5 | H8 | 120.3° | 124.0° |
| C3 | N4 | C5 | C6 | 109.9° | 180.0° |
| C3 | N4 | C5 | H9 | 9.7° | 60.0° |
| C3 | N4 | C5 | H10 | 130.5° | 60.0° |
| S11 | C12 | C13 | H2 | 121.7° | 120.0° |
| S11 | C12 | C13 | H35 | 121.7° | 120.0° |
| S11 | C12 | C13 | C14 | 172.0° | 180.0° |
| C12 | S11 | O17 | O16 | 118.4° | 131.5° |
| S11 | C12 | C13 | H1 | 66.8° | 60.0° |
| S11 | C12 | H2 | H35 | 114.6° | 120.0° |
| S11 | C12 | C13 | H34 | 50.7° | 60.0° |
| C12 | C13 | C14 | H1 | 121.3° | 120.0° |
| C12 | C13 | C14 | H34 | 121.3° | 120.0° |
| C12 | C13 | C14 | O15 | 160.7° | 180.0° |
| C13 | C12 | S11 | O17 | 72.0° | 68.4° |
| C13 | C12 | S11 | O16 | 54.5° | 68.4° |
| C12 | C13 | H1 | H34 | 115.9° | 120.0° |
| C13 | C12 | H2 | H35 | 114.6° | 120.0° |
| C12 | C13 | C14 | H3 | 79.2° | 60.0° |
| C12 | C13 | C14 | H4 | 40.6° | 60.0° |
| C13 | C14 | O15 | H3 | 120.1° | 120.0° |
| C13 | C14 | O15 | H4 | 120.1° | 120.0° |
| C14 | C13 | H1 | H34 | 115.9° | 120.0° |
| C14 | C13 | C12 | H2 | 50.3° | 60.0° |
| C13 | C14 | H3 | H4 | 119.7° | 120.0° |
| C13 | C14 | O15 | H7 | 180.0° | 180.0° |
| C14 | C13 | C12 | H35 | 66.3° | 60.0° |
| O15 | C14 | C13 | H1 | 39.5° | 60.0° |
| O15 | C14 | H3 | H4 | 119.7° | 120.0° |
| O15 | C14 | C13 | H34 | 78.0° | 60.0° |
| O17 | S11 | C12 | H2 | 49.6° | 171.6° |
| O17 | S11 | C12 | H35 | 166.3° | 51.6° |
| O16 | S11 | C12 | H2 | 176.2° | 51.6° |
| O16 | S11 | C12 | H35 | 67.1° | 171.6° |
| N4 | C5 | C6 | H9 | 119.6° | 120.0° |
| N4 | C5 | C6 | H10 | 119.6° | 120.0° |
| N4 | C5 | C6 | C7 | 71.0° | 180.0° |
| N4 | C5 | H9 | H10 | 121.2° | 120.0° |
| N4 | C5 | C6 | H11 | 49.0° | 60.0° |
| N4 | C5 | C6 | H12 | 169.1° | 60.0° |
| C5 | C6 | C7 | H11 | 120.0° | 120.0° |
| C5 | C6 | C7 | H12 | 120.0° | 120.0° |
| C5 | C6 | C7 | C8 | 160.3° | 180.0° |
| C6 | C5 | N4 | H8 | 129.8° | 56.0° |
| C6 | C5 | H9 | H10 | 121.2° | 120.0° |
| C5 | C6 | H11 | H12 | 120.0° | 120.1° |
| C5 | C6 | C7 | H13 | 40.6° | 60.0° |
| C5 | C6 | C7 | H14 | 80.0° | 60.0° |
| C6 | C7 | C8 | H13 | 119.8° | 120.0° |
| C6 | C7 | C8 | H14 | 119.7° | 120.0° |
| C6 | C7 | C8 | O9 | 27.1° | 180.0° |
| C7 | C6 | C5 | H9 | 169.4° | 60.0° |
| C7 | C6 | C5 | H10 | 48.7° | 60.0° |
| C7 | C6 | H11 | H12 | 120.1° | 120.0° |
| C6 | C7 | H13 | H14 | 120.8° | 120.1° |
| C6 | C7 | C8 | H15 | 147.7° | 60.0° |
| C6 | C7 | C8 | H16 | 93.6° | 60.0° |
| C7 | C8 | O9 | H15 | 120.6° | 120.0° |
| C7 | C8 | O9 | H16 | 120.6° | 120.0° |
| C8 | C7 | C6 | H11 | 79.7° | 60.0° |
| C8 | C7 | C6 | H12 | 40.4° | 60.0° |
| C8 | C7 | H13 | H14 | 120.8° | 120.0° |
| C7 | C8 | H15 | H16 | 118.1° | 120.0° |
| C7 | C8 | O9 | H17 | 180.0° | 180.0° |
| O9 | C8 | C7 | H13 | 92.7° | 60.0° |
| O9 | C8 | C7 | H14 | 146.8° | 60.0° |
| O9 | C8 | H15 | H16 | 118.1° | 120.0° |
| H1 | C13 | C12 | H2 | 171.6° | 60.0° |
| H1 | C13 | C14 | H3 | 159.6° | 180.0° |
| H1 | C13 | C14 | H4 | 80.6° | 60.0° |
| H1 | C13 | C12 | H35 | 54.9° | 180.0° |
| H2 | C12 | C13 | H34 | 70.9° | 180.0° |
| H3 | C14 | O15 | H7 | 59.9° | 60.0° |
| H3 | C14 | C13 | H34 | 42.1° | 60.0° |
| H4 | C14 | O15 | H7 | 59.9° | 60.0° |
| H4 | C14 | C13 | H34 | 161.9° | 180.0° |
| H8 | N4 | C5 | H9 | 110.6° | 176.0° |
| H8 | N4 | C5 | H10 | 10.2° | 64.0° |
| H9 | C5 | C6 | H11 | 70.6° | 180.0° |
| H9 | C5 | C6 | H12 | 49.4° | 60.0° |
| H10 | C5 | C6 | H11 | 168.7° | 60.0° |
| H10 | C5 | C6 | H12 | 71.3° | 180.0° |
| H11 | C6 | C7 | H13 | 160.6° | 180.0° |
| H11 | C6 | C7 | H14 | 40.0° | 60.0° |
| H12 | C6 | C7 | H13 | 79.4° | 60.0° |
| H12 | C6 | C7 | H14 | 160.1° | 180.0° |
| H13 | C7 | C8 | H15 | 27.9° | 180.0° |
| H13 | C7 | C8 | H16 | 146.7° | 60.0° |
| H14 | C7 | C8 | H15 | 92.6° | 60.0° |
| H14 | C7 | C8 | H16 | 26.2° | 179.9° |
| H15 | C8 | O9 | H17 | 59.4° | 60.0° |
| H16 | C8 | O9 | H17 | 59.4° | 60.0° |
| H18 | N19 | C20 | H19 | 132.2° | 162.0° |
| H19 | C20 | C27 | H20 | 53.0° | 75.9° |
| H19 | C20 | C27 | H21 | 63.2° | 164.1° |
| H19 | C20 | C21 | H32 | 27.2° | 164.0° |
| H19 | C20 | C21 | H33 | 87.3° | 75.9° |
| H20 | C27 | C26 | H22 | 169.6° | 44.0° |
| H20 | C27 | C26 | H23 | 75.1° | 164.0° |
| H21 | C27 | C26 | H22 | 74.3° | 76.0° |
| H21 | C27 | C26 | H23 | 41.0° | 44.1° |
| H22 | C26 | C25 | H24 | 86.2° | 112.9° |
| H22 | C26 | C25 | H25 | 157.5° | 7.1° |
| H23 | C26 | C25 | H24 | 29.1° | 127.0° |
| H23 | C26 | C25 | H25 | 87.2° | 112.9° |
| H24 | C25 | C24 | H26 | 75.7° | 75.9° |
| H24 | C25 | C24 | H27 | 41.2° | 164.0° |
| H25 | C25 | C24 | H26 | 40.7° | 44.1° |
| H25 | C25 | C24 | H27 | 157.6° | 76.0° |
| H26 | C24 | C23 | H28 | 159.8° | 75.9° |
| H26 | C24 | C23 | H29 | 43.9° | 44.1° |
| H27 | C24 | C23 | H28 | 42.9° | 164.0° |
| H27 | C24 | C23 | H29 | 73.0° | 76.0° |
| H28 | C23 | C22 | H30 | 88.5° | 112.9° |
| H28 | C23 | C22 | H31 | 155.5° | 127.0° |
| H29 | C23 | C22 | H30 | 27.4° | 7.1° |
| H29 | C23 | C22 | H31 | 88.6° | 112.9° |
| H30 | C22 | C21 | H32 | 82.3° | 76.0° |
| H30 | C22 | C21 | H33 | 32.2° | 44.1° |
| H31 | C22 | C21 | H32 | 33.7° | 43.9° |
| H31 | C22 | C21 | H33 | 148.2° | 164.0° |
| H34 | C13 | C12 | H35 | 172.4° | 60.0° |
