PO1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | O3 | sing | 1.36Å | 1.42Å | |
| C1 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | O4 | sing | 1.36Å | 1.39Å | |
| O2 | S1 | doub | 1.42Å | 1.42Å | |
| S1 | O1 | doub | 1.42Å | 1.42Å | |
| S1 | N1 | sing | 1.66Å | 1.58Å | |
| S1 | O3 | sing | 1.52Å | 1.60Å | |
| N1 | HN11 | sing | 0.97Å | 1.00Å | |
| N1 | HN12 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.39Å | 1.44Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.38Å | 1.43Å | Aromatic |
| C4 | C8 | sing | 1.50Å | 1.53Å | |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C11 | sing | 1.50Å | 1.53Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O4 | C7 | sing | 1.43Å | 1.42Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.58Å | |
| C8 | C12 | sing | 1.52Å | 1.56Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | C15 | sing | 1.52Å | 1.56Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.54Å | 1.56Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.55Å | 1.57Å | |
| C14 | C16 | sing | 1.53Å | 1.56Å | |
| C14 | C17 | sing | 1.53Å | 1.55Å | |
| C15 | C19 | sing | 1.53Å | 1.55Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.55Å | 1.53Å | |
| C17 | O5 | sing | 1.43Å | 1.47Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.55Å | 1.54Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| O5 | S2 | sing | 1.52Å | 1.59Å | |
| S2 | O6 | doub | 1.42Å | 1.43Å | |
| S2 | O7 | doub | 1.42Å | 1.43Å | |
| S2 | N2 | sing | 1.66Å | 1.58Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| N2 | HN22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O3 | 117.3° | 120.3° |
| C2 | C1 | C6 | 120.7° | 119.5° |
| C1 | C2 | C3 | 117.7° | 119.6° |
| C1 | C2 | O4 | 124.7° | 120.2° |
| O3 | C1 | C6 | 122.0° | 120.2° |
| C1 | O3 | S1 | 121.3° | 106.8° |
| C1 | C6 | C5 | 120.6° | 121.1° |
| C1 | C6 | H6 | 119.7° | 119.3° |
| C3 | C2 | O4 | 117.6° | 120.2° |
| C2 | C3 | C4 | 123.5° | 120.6° |
| C2 | C3 | H3 | 118.2° | 119.7° |
| C2 | O4 | C7 | 121.6° | 106.8° |
| O2 | S1 | O1 | 120.5° | 125.4° |
| O2 | S1 | N1 | 109.4° | 105.8° |
| O2 | S1 | O3 | 104.8° | 105.7° |
| O1 | S1 | N1 | 109.2° | 105.8° |
| O1 | S1 | O3 | 103.3° | 105.8° |
| N1 | S1 | O3 | 109.0° | 107.4° |
| S1 | N1 | HN11 | 109.5° | 120.0° |
| S1 | N1 | HN12 | 109.5° | 120.0° |
| HN11 | N1 | HN12 | 109.5° | 120.0° |
| C4 | C3 | H3 | 118.2° | 119.7° |
| C3 | C4 | C5 | 116.9° | 119.9° |
| C3 | C4 | C8 | 121.3° | 118.2° |
| C5 | C4 | C8 | 121.8° | 121.9° |
| C4 | C5 | C6 | 120.5° | 119.3° |
| C4 | C5 | C11 | 121.3° | 123.0° |
| C4 | C8 | C9 | 111.0° | 110.2° |
| C4 | C8 | C12 | 111.8° | 112.0° |
| C4 | C8 | H8 | 107.6° | 107.9° |
| C6 | C5 | C11 | 118.1° | 117.6° |
| C5 | C6 | H6 | 119.7° | 119.7° |
| C5 | C11 | C10 | 115.5° | 110.9° |
| C5 | C11 | H111 | 107.5° | 108.2° |
| C5 | C11 | H112 | 106.1° | 110.3° |
| O4 | C7 | H71 | 109.5° | 109.4° |
| O4 | C7 | H72 | 109.5° | 109.5° |
| O4 | C7 | H73 | 109.4° | 109.5° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H71 | C7 | H73 | 109.5° | 109.5° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| C9 | C8 | C12 | 111.8° | 110.9° |
| C9 | C8 | H8 | 107.6° | 107.8° |
| C8 | C9 | C10 | 109.3° | 107.9° |
| C8 | C9 | C15 | 106.9° | 106.8° |
| C8 | C9 | H9 | 113.9° | 110.4° |
| C12 | C8 | H8 | 106.8° | 107.9° |
| C8 | C12 | C13 | 112.2° | 110.6° |
| C8 | C12 | H121 | 108.6° | 109.2° |
| C8 | C12 | H122 | 108.0° | 109.3° |
| C10 | C9 | C15 | 116.1° | 111.8° |
| C10 | C9 | H9 | 104.1° | 109.9° |
| C9 | C10 | C11 | 112.4° | 108.2° |
| C9 | C10 | H101 | 108.5° | 109.7° |
| C9 | C10 | H102 | 107.8° | 109.7° |
| C15 | C9 | H9 | 106.7° | 109.9° |
| C9 | C15 | C14 | 114.2° | 105.7° |
| C9 | C15 | C19 | 119.9° | 115.5° |
| C9 | C15 | H15 | 96.1° | 111.6° |
| C11 | C10 | H101 | 108.5° | 109.7° |
| C11 | C10 | H102 | 107.8° | 109.7° |
| C10 | C11 | H111 | 107.5° | 109.1° |
| C10 | C11 | H112 | 106.1° | 109.1° |
| H101 | C10 | H102 | 111.8° | 109.8° |
| H111 | C11 | H112 | 114.3° | 109.1° |
| C13 | C12 | H121 | 108.6° | 109.3° |
| C13 | C12 | H122 | 108.0° | 109.2° |
| C12 | C13 | C14 | 111.7° | 107.6° |
| C12 | C13 | H131 | 108.7° | 109.8° |
| C12 | C13 | H132 | 108.2° | 109.8° |
| H121 | C12 | H122 | 111.6° | 109.2° |
| C14 | C13 | H131 | 108.7° | 109.8° |
| C14 | C13 | H132 | 108.2° | 109.8° |
| C13 | C14 | C15 | 107.7° | 108.1° |
| C13 | C14 | C16 | 109.1° | 109.6° |
| C13 | C14 | C17 | 115.9° | 116.8° |
| H131 | C13 | H132 | 111.2° | 109.8° |
| C15 | C14 | C16 | 115.3° | 109.6° |
| C15 | C14 | C17 | 97.1° | 102.7° |
| C14 | C15 | C19 | 103.0° | 101.7° |
| C14 | C15 | H15 | 115.2° | 111.3° |
| C16 | C14 | C17 | 111.5° | 109.6° |
| C14 | C16 | H161 | 109.5° | 109.4° |
| C14 | C16 | H162 | 109.5° | 109.5° |
| C14 | C16 | H163 | 109.5° | 109.5° |
| C14 | C17 | C18 | 104.1° | 105.3° |
| C14 | C17 | O5 | 110.9° | 110.2° |
| C14 | C17 | H17 | 112.3° | 110.3° |
| C19 | C15 | H15 | 108.9° | 110.5° |
| C15 | C19 | C18 | 104.4° | 102.5° |
| C15 | C19 | H191 | 111.2° | 110.5° |
| C15 | C19 | H192 | 112.3° | 111.3° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.4° | 109.5° |
| H162 | C16 | H163 | 109.4° | 109.5° |
| C18 | C17 | O5 | 109.9° | 110.4° |
| C18 | C17 | H17 | 113.2° | 110.3° |
| C17 | C18 | C19 | 105.8° | 106.4° |
| C17 | C18 | H181 | 110.7° | 110.1° |
| C17 | C18 | H182 | 111.5° | 110.1° |
| O5 | C17 | H17 | 106.6° | 110.2° |
| C17 | O5 | S2 | 119.5° | 106.8° |
| C19 | C18 | H181 | 110.7° | 110.1° |
| C19 | C18 | H182 | 111.6° | 110.0° |
| C18 | C19 | H191 | 111.2° | 110.7° |
| C18 | C19 | H192 | 112.3° | 110.8° |
| H181 | C18 | H182 | 106.7° | 110.1° |
| H191 | C19 | H192 | 105.6° | 110.8° |
| O5 | S2 | O6 | 105.8° | 105.8° |
| O5 | S2 | O7 | 105.1° | 105.7° |
| O5 | S2 | N2 | 106.1° | 107.4° |
| O6 | S2 | O7 | 117.6° | 125.4° |
| O6 | S2 | N2 | 110.7° | 105.8° |
| O7 | S2 | N2 | 110.7° | 105.8° |
| S2 | N2 | HN21 | 109.5° | 120.0° |
| S2 | N2 | HN22 | 109.5° | 120.0° |
| HN21 | N2 | HN22 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O3 | C6 | 179.2° | 179.4° |
| C1 | C2 | C3 | O4 | 179.9° | 179.8° |
| C2 | C1 | O3 | S1 | 108.5° | 89.3° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C1 | C2 | C3 | H3 | 179.7° | 179.9° |
| C2 | C1 | C6 | C5 | 0.4° | 0.7° |
| C2 | C1 | C6 | H6 | 179.6° | 178.3° |
| C1 | C2 | O4 | C7 | 136.9° | 179.7° |
| O3 | C1 | C2 | C3 | 179.5° | 179.7° |
| O3 | C1 | C2 | O4 | 0.4° | 0.1° |
| C1 | O3 | S1 | O2 | 73.1° | 37.6° |
| C1 | O3 | S1 | O1 | 159.9° | 172.4° |
| C1 | O3 | S1 | N1 | 43.8° | 75.0° |
| O3 | C1 | C6 | C5 | 179.6° | 180.0° |
| O3 | C1 | C6 | H6 | 0.3° | 1.0° |
| C6 | C1 | C2 | C3 | 0.3° | 0.3° |
| C6 | C1 | C2 | O4 | 179.6° | 179.5° |
| C6 | C1 | O3 | S1 | 72.3° | 90.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 179.0° |
| C1 | C6 | C5 | C11 | 179.9° | 178.5° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.2° |
| C2 | C3 | C4 | C8 | 179.8° | 179.4° |
| C3 | C2 | O4 | C7 | 43.3° | 0.0° |
| O4 | C2 | C3 | C4 | 179.6° | 179.9° |
| O4 | C2 | C3 | H3 | 0.4° | 0.1° |
| C2 | O4 | C7 | H71 | 17.2° | 180.0° |
| C2 | O4 | C7 | H72 | 137.2° | 60.0° |
| C2 | O4 | C7 | H73 | 102.8° | 60.0° |
| O2 | S1 | O1 | N1 | 127.8° | 123.2° |
| O2 | S1 | O1 | O3 | 116.3° | 123.1° |
| O2 | S1 | N1 | O3 | 114.0° | 112.6° |
| O2 | S1 | N1 | HN11 | 13.3° | 112.6° |
| O2 | S1 | N1 | HN12 | 106.7° | 67.4° |
| O1 | S1 | N1 | O3 | 112.2° | 112.6° |
| O1 | S1 | N1 | HN11 | 147.1° | 112.6° |
| O1 | S1 | N1 | HN12 | 27.0° | 67.5° |
| S1 | N1 | HN11 | HN12 | 120.0° | 179.9° |
| O3 | S1 | N1 | HN11 | 100.8° | 0.0° |
| O3 | S1 | N1 | HN12 | 139.2° | 179.9° |
| C3 | C4 | C5 | C8 | 179.8° | 179.6° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C3 | C4 | C5 | C11 | 179.9° | 178.0° |
| C3 | C4 | C8 | C9 | 155.2° | 159.5° |
| C3 | C4 | C8 | C12 | 29.6° | 35.6° |
| C3 | C4 | C8 | H8 | 87.4° | 83.0° |
| H3 | C3 | C4 | C5 | 179.5° | 179.8° |
| H3 | C3 | C4 | C8 | 0.3° | 0.7° |
| C4 | C5 | C6 | C11 | 179.5° | 178.0° |
| C4 | C5 | C6 | H6 | 179.4° | 178.5° |
| C5 | C4 | C8 | C9 | 25.0° | 20.9° |
| C5 | C4 | C8 | C12 | 150.6° | 144.8° |
| C5 | C4 | C8 | H8 | 92.4° | 96.6° |
| C4 | C5 | C11 | C10 | 4.7° | 17.3° |
| C4 | C5 | C11 | H111 | 124.7° | 137.0° |
| C4 | C5 | C11 | H112 | 112.6° | 103.8° |
| C8 | C4 | C5 | C6 | 179.6° | 179.7° |
| C8 | C4 | C5 | C11 | 0.1° | 2.5° |
| C4 | C8 | C9 | C12 | 125.6° | 124.5° |
| C4 | C8 | C9 | H8 | 117.5° | 117.5° |
| C4 | C8 | C12 | H8 | 117.4° | 118.6° |
| C4 | C8 | C9 | C10 | 54.0° | 53.7° |
| C4 | C8 | C9 | C15 | 179.6° | 174.1° |
| C4 | C8 | C9 | H9 | 62.0° | 66.4° |
| C4 | C8 | C12 | C13 | 179.8° | 179.9° |
| C4 | C8 | C12 | H121 | 59.8° | 59.6° |
| C4 | C8 | C12 | H122 | 61.4° | 59.8° |
| C6 | C5 | C11 | C10 | 175.8° | 164.8° |
| C6 | C5 | C11 | H111 | 55.8° | 45.1° |
| C6 | C5 | C11 | H112 | 67.0° | 74.1° |
| C11 | C5 | C6 | H6 | 0.2° | 0.5° |
| C5 | C11 | C10 | C9 | 35.2° | 50.1° |
| C5 | C11 | C10 | H111 | 120.0° | 119.2° |
| C5 | C11 | C10 | H112 | 117.3° | 121.7° |
| C5 | C11 | C10 | H101 | 84.8° | 69.6° |
| C5 | C11 | C10 | H102 | 154.0° | 169.7° |
| C5 | C11 | H111 | H112 | 117.5° | 120.1° |
| O4 | C7 | H71 | H72 | 120.0° | 120.0° |
| O4 | C7 | H71 | H73 | 120.0° | 120.0° |
| O4 | C7 | H72 | H73 | 120.0° | 120.0° |
| H71 | C7 | H72 | H73 | 120.0° | 120.1° |
| C9 | C8 | C12 | H8 | 117.4° | 117.9° |
| C8 | C9 | C10 | C15 | 121.0° | 117.2° |
| C8 | C9 | C10 | H9 | 122.1° | 120.4° |
| C8 | C9 | C15 | H9 | 122.2° | 119.8° |
| C8 | C9 | C10 | C11 | 60.0° | 70.2° |
| C8 | C9 | C10 | H101 | 60.0° | 49.5° |
| C8 | C9 | C10 | H102 | 178.7° | 170.2° |
| C9 | C8 | C12 | C13 | 54.6° | 56.5° |
| C9 | C8 | C12 | H121 | 65.4° | 176.9° |
| C9 | C8 | C12 | H122 | 173.5° | 63.7° |
| C8 | C9 | C15 | C14 | 58.6° | 66.3° |
| C8 | C9 | C15 | C19 | 178.5° | 177.9° |
| C8 | C9 | C15 | H15 | 62.6° | 54.9° |
| C12 | C8 | C9 | C10 | 179.6° | 178.2° |
| C12 | C8 | C9 | C15 | 54.0° | 61.4° |
| C12 | C8 | C9 | H9 | 63.6° | 58.1° |
| C8 | C12 | C13 | H121 | 120.0° | 120.3° |
| C8 | C12 | C13 | H122 | 118.8° | 120.3° |
| C8 | C12 | H121 | H122 | 118.9° | 119.4° |
| C8 | C12 | C13 | C14 | 56.1° | 57.0° |
| C8 | C12 | C13 | H131 | 176.1° | 62.5° |
| C8 | C12 | C13 | H132 | 62.9° | 176.6° |
| H8 | C8 | C9 | C10 | 63.5° | 63.8° |
| H8 | C8 | C9 | C15 | 62.9° | 56.6° |
| H8 | C8 | C9 | H9 | 179.5° | 176.1° |
| H8 | C8 | C12 | C13 | 62.8° | 61.4° |
| H8 | C8 | C12 | H121 | 177.2° | 59.0° |
| H8 | C8 | C12 | H122 | 56.1° | 178.4° |
| C10 | C9 | C15 | H9 | 115.5° | 122.3° |
| C9 | C10 | C11 | H101 | 120.0° | 119.7° |
| C9 | C10 | C11 | H102 | 118.7° | 119.6° |
| C9 | C10 | H101 | H102 | 118.8° | 120.6° |
| C9 | C10 | C11 | H111 | 155.3° | 169.2° |
| C9 | C10 | C11 | H112 | 82.0° | 71.7° |
| C10 | C9 | C15 | C14 | 179.2° | 175.9° |
| C10 | C9 | C15 | C19 | 56.3° | 64.3° |
| C10 | C9 | C15 | H15 | 59.6° | 63.0° |
| C15 | C9 | C10 | C11 | 179.0° | 172.6° |
| C15 | C9 | C10 | H101 | 61.0° | 67.7° |
| C15 | C9 | C10 | H102 | 60.3° | 53.0° |
| C9 | C15 | C14 | C13 | 60.5° | 69.6° |
| C9 | C15 | C14 | C19 | 131.6° | 121.0° |
| C9 | C15 | C14 | H15 | 110.0° | 121.3° |
| C9 | C15 | C14 | C16 | 61.5° | 49.8° |
| C9 | C15 | C14 | C17 | 179.3° | 166.3° |
| C9 | C15 | C19 | H15 | 109.1° | 127.8° |
| C9 | C15 | C19 | C18 | 159.3° | 156.5° |
| C9 | C15 | C19 | H191 | 80.7° | 85.5° |
| C9 | C15 | C19 | H192 | 37.4° | 38.1° |
| H9 | C9 | C10 | C11 | 62.1° | 50.2° |
| H9 | C9 | C10 | H101 | 177.9° | 169.9° |
| H9 | C9 | C10 | H102 | 56.7° | 69.4° |
| H9 | C9 | C15 | C14 | 63.6° | 53.5° |
| H9 | C9 | C15 | C19 | 59.3° | 58.1° |
| H9 | C9 | C15 | H15 | 175.1° | 174.7° |
| C11 | C10 | H101 | H102 | 118.8° | 120.6° |
| C10 | C11 | H111 | H112 | 117.5° | 119.1° |
| H101 | C10 | C11 | H111 | 35.2° | 49.5° |
| H101 | C10 | C11 | H112 | 158.0° | 168.6° |
| H102 | C10 | C11 | H111 | 86.0° | 71.1° |
| H102 | C10 | C11 | H112 | 36.7° | 48.0° |
| C13 | C12 | H121 | H122 | 118.9° | 119.4° |
| C12 | C13 | C14 | H131 | 120.0° | 119.5° |
| C12 | C13 | C14 | H132 | 119.0° | 119.6° |
| C12 | C13 | H131 | H132 | 119.1° | 120.9° |
| C12 | C13 | C14 | C15 | 56.5° | 63.6° |
| C12 | C13 | C14 | C16 | 69.3° | 55.9° |
| C12 | C13 | C14 | C17 | 163.9° | 178.7° |
| H121 | C12 | C13 | C14 | 63.9° | 177.3° |
| H121 | C12 | C13 | H131 | 56.1° | 57.8° |
| H121 | C12 | C13 | H132 | 177.1° | 63.1° |
| H122 | C12 | C13 | C14 | 175.0° | 63.3° |
| H122 | C12 | C13 | H131 | 65.0° | 177.2° |
| H122 | C12 | C13 | H132 | 55.9° | 56.3° |
| C14 | C13 | H131 | H132 | 119.1° | 120.9° |
| C13 | C14 | C15 | C16 | 122.0° | 119.5° |
| C13 | C14 | C15 | C17 | 120.1° | 124.1° |
| C13 | C14 | C16 | C17 | 129.3° | 129.4° |
| C13 | C14 | C15 | C19 | 167.8° | 169.4° |
| C13 | C14 | C15 | H15 | 49.4° | 51.7° |
| C13 | C14 | C16 | H161 | 10.6° | 54.0° |
| C13 | C14 | C16 | H162 | 109.4° | 174.0° |
| C13 | C14 | C16 | H163 | 130.6° | 66.0° |
| C13 | C14 | C17 | C18 | 160.8° | 147.7° |
| C13 | C14 | C17 | O5 | 81.1° | 93.2° |
| C13 | C14 | C17 | H17 | 38.0° | 28.8° |
| H131 | C13 | C14 | C15 | 176.5° | 56.0° |
| H131 | C13 | C14 | C16 | 50.7° | 175.4° |
| H131 | C13 | C14 | C17 | 76.0° | 59.2° |
| H132 | C13 | C14 | C15 | 62.5° | 176.9° |
| H132 | C13 | C14 | C16 | 171.7° | 63.7° |
| H132 | C13 | C14 | C17 | 44.9° | 61.7° |
| C15 | C14 | C16 | C17 | 109.4° | 112.1° |
| C14 | C15 | C19 | H15 | 122.7° | 118.3° |
| C15 | C14 | C16 | H161 | 131.9° | 64.5° |
| C15 | C14 | C16 | H162 | 11.9° | 55.5° |
| C15 | C14 | C16 | H163 | 108.1° | 175.5° |
| C15 | C14 | C17 | C18 | 47.1° | 29.7° |
| C15 | C14 | C17 | O5 | 165.2° | 148.7° |
| C15 | C14 | C17 | H17 | 75.7° | 89.3° |
| C14 | C15 | C19 | C18 | 31.1° | 42.6° |
| C14 | C15 | C19 | H191 | 151.1° | 160.5° |
| C14 | C15 | C19 | H192 | 90.8° | 75.9° |
| C16 | C14 | C15 | C19 | 70.1° | 71.1° |
| C16 | C14 | C15 | H15 | 171.5° | 171.2° |
| C14 | C16 | H161 | H162 | 120.0° | 120.0° |
| C14 | C16 | H161 | H163 | 120.0° | 120.0° |
| C14 | C16 | H162 | H163 | 120.0° | 120.0° |
| C16 | C14 | C17 | C18 | 73.7° | 86.8° |
| C16 | C14 | C17 | O5 | 44.4° | 32.2° |
| C16 | C14 | C17 | H17 | 163.6° | 154.2° |
| C17 | C14 | C15 | C19 | 47.7° | 45.3° |
| C17 | C14 | C15 | H15 | 70.7° | 72.4° |
| C17 | C14 | C16 | H161 | 118.6° | 176.5° |
| C17 | C14 | C16 | H162 | 121.3° | 56.6° |
| C17 | C14 | C16 | H163 | 1.4° | 63.5° |
| C14 | C17 | C18 | O5 | 118.8° | 119.0° |
| C14 | C17 | C18 | H17 | 122.1° | 119.0° |
| C14 | C17 | O5 | H17 | 122.5° | 122.0° |
| C14 | C17 | C18 | C19 | 29.5° | 3.4° |
| C14 | C17 | C18 | H181 | 90.5° | 122.7° |
| C14 | C17 | C18 | H182 | 150.9° | 115.8° |
| C14 | C17 | O5 | S2 | 110.0° | 145.0° |
| C15 | C19 | C18 | C17 | 1.4° | 24.5° |
| C15 | C19 | C18 | H191 | 120.0° | 117.9° |
| C15 | C19 | C18 | H192 | 121.9° | 118.8° |
| C15 | C19 | C18 | H181 | 121.4° | 94.7° |
| C15 | C19 | C18 | H182 | 120.0° | 143.7° |
| C15 | C19 | H191 | H192 | 122.1° | 123.9° |
| H15 | C15 | C19 | C18 | 91.6° | 75.7° |
| H15 | C15 | C19 | H191 | 28.4° | 42.3° |
| H15 | C15 | C19 | H192 | 146.5° | 165.9° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| C18 | C17 | O5 | H17 | 123.0° | 122.1° |
| C17 | C18 | C19 | H181 | 120.0° | 119.3° |
| C17 | C18 | C19 | H182 | 121.4° | 119.2° |
| C17 | C18 | H181 | H182 | 121.5° | 121.5° |
| C17 | C18 | C19 | H191 | 121.4° | 142.4° |
| C17 | C18 | C19 | H192 | 120.5° | 94.3° |
| C18 | C17 | O5 | S2 | 135.5° | 99.1° |
| O5 | C17 | C18 | C19 | 148.2° | 122.4° |
| O5 | C17 | C18 | H181 | 28.3° | 118.3° |
| O5 | C17 | C18 | H182 | 90.3° | 3.2° |
| C17 | O5 | S2 | O6 | 160.3° | 37.6° |
| C17 | O5 | S2 | O7 | 74.7° | 172.4° |
| C17 | O5 | S2 | N2 | 42.6° | 75.0° |
| H17 | C17 | C18 | C19 | 92.7° | 115.6° |
| H17 | C17 | C18 | H181 | 147.3° | 3.7° |
| H17 | C17 | C18 | H182 | 28.8° | 125.3° |
| H17 | C17 | O5 | S2 | 12.5° | 23.0° |
| C19 | C18 | H181 | H182 | 121.5° | 121.5° |
| C18 | C19 | H191 | H192 | 122.1° | 123.3° |
| H181 | C18 | C19 | H191 | 118.7° | 23.1° |
| H181 | C18 | C19 | H192 | 0.5° | 146.4° |
| H182 | C18 | C19 | H191 | 0.0° | 98.4° |
| H182 | C18 | C19 | H192 | 118.1° | 24.9° |
| O5 | S2 | O6 | O7 | 116.9° | 123.1° |
| O5 | S2 | O6 | N2 | 114.5° | 113.7° |
| O5 | S2 | O7 | N2 | 114.1° | 113.7° |
| O5 | S2 | N2 | HN21 | 53.5° | 0.0° |
| O5 | S2 | N2 | HN22 | 173.5° | 179.9° |
| O6 | S2 | O7 | N2 | 128.6° | 123.1° |
| O6 | S2 | N2 | HN21 | 167.8° | 112.6° |
| O6 | S2 | N2 | HN22 | 72.2° | 67.4° |
| O7 | S2 | N2 | HN21 | 60.0° | 112.6° |
| O7 | S2 | N2 | HN22 | 60.1° | 67.4° |
| S2 | N2 | HN21 | HN22 | 120.0° | 179.9° |
