A1D8Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | S22 | doub | 1.42Å | 1.45Å | |
| C23 | S22 | sing | 1.81Å | 1.81Å | |
| S22 | O24 | doub | 1.42Å | 1.46Å | |
| S22 | C21 | sing | 1.76Å | 1.82Å | |
| C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.48Å | 1.39Å | |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | N28 | sing | 1.33Å | 1.31Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| N28 | C29 | doub | 1.32Å | 1.32Å | Aromatic |
| C14 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | O13 | sing | 1.36Å | 1.40Å | |
| C12 | O13 | sing | 1.43Å | 1.40Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C30 | C11 | sing | 1.53Å | 1.44Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.44Å | |
| C10 | C09 | sing | 1.53Å | 1.51Å | |
| C31 | N08 | sing | 1.47Å | 1.51Å | |
| C09 | N08 | sing | 1.47Å | 1.51Å | |
| N08 | C07 | sing | 1.37Å | 1.43Å | |
| N32 | C07 | doub | 1.32Å | 1.31Å | Aromatic |
| N32 | C04 | sing | 1.34Å | 1.31Å | Aromatic |
| C07 | O06 | sing | 1.34Å | 1.32Å | Aromatic |
| C04 | C02 | sing | 1.51Å | 1.52Å | |
| C04 | N05 | doub | 1.30Å | 1.30Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| O06 | N05 | sing | 1.21Å | 1.35Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | S22 | C23 | 110.5° | 110.6° |
| O25 | S22 | O24 | 102.4° | 121.0° |
| O25 | S22 | C21 | 109.6° | 104.3° |
| C23 | S22 | O24 | 109.7° | 110.6° |
| C23 | S22 | C21 | 112.7° | 104.5° |
| S22 | C23 | H232 | 109.5° | 109.5° |
| S22 | C23 | H233 | 109.4° | 109.5° |
| S22 | C23 | H231 | 109.5° | 109.4° |
| O24 | S22 | C21 | 111.5° | 104.2° |
| S22 | C21 | C20 | 119.2° | 119.8° |
| S22 | C21 | C26 | 121.5° | 119.9° |
| C21 | C20 | C19 | 120.3° | 120.1° |
| C20 | C21 | C26 | 119.3° | 120.3° |
| C21 | C20 | H201 | 119.8° | 119.9° |
| C20 | C19 | C18 | 120.8° | 119.9° |
| C19 | C20 | H201 | 119.9° | 120.0° |
| C20 | C19 | H191 | 119.6° | 120.0° |
| C21 | C26 | C27 | 120.6° | 120.1° |
| C21 | C26 | H261 | 119.7° | 120.0° |
| C19 | C18 | C27 | 118.5° | 119.7° |
| C19 | C18 | C17 | 121.5° | 120.1° |
| C18 | C19 | H191 | 119.6° | 120.1° |
| C26 | C27 | C18 | 120.4° | 119.9° |
| C27 | C26 | H261 | 119.7° | 119.9° |
| C26 | C27 | H271 | 119.8° | 120.0° |
| C27 | C18 | C17 | 120.0° | 120.2° |
| C18 | C27 | H271 | 119.8° | 120.1° |
| C18 | C17 | C16 | 121.9° | 119.7° |
| C18 | C17 | N28 | 120.7° | 119.7° |
| C17 | C16 | C15 | 121.6° | 119.1° |
| C16 | C17 | N28 | 117.4° | 120.7° |
| C17 | C16 | H161 | 119.2° | 120.4° |
| C16 | C15 | C14 | 117.8° | 118.5° |
| C16 | C15 | H151 | 121.1° | 120.7° |
| C15 | C16 | H161 | 119.2° | 120.5° |
| C17 | N28 | C29 | 124.3° | 121.7° |
| C15 | C14 | C29 | 119.3° | 119.3° |
| C15 | C14 | O13 | 122.7° | 120.4° |
| C14 | C15 | H151 | 121.1° | 120.8° |
| N28 | C29 | C14 | 119.7° | 120.8° |
| N28 | C29 | H291 | 120.2° | 119.6° |
| C29 | C14 | O13 | 118.0° | 120.4° |
| C14 | C29 | H291 | 120.2° | 119.6° |
| C14 | O13 | C12 | 118.2° | 117.0° |
| O13 | C12 | C11 | 108.9° | 109.5° |
| O13 | C12 | H121 | 109.6° | 109.5° |
| O13 | C12 | H122 | 109.6° | 109.5° |
| C12 | C11 | C30 | 107.5° | 109.6° |
| C12 | C11 | C10 | 108.2° | 109.5° |
| C12 | C11 | H111 | 108.5° | 109.5° |
| C11 | C12 | H121 | 109.6° | 109.5° |
| C11 | C12 | H122 | 109.6° | 109.5° |
| C11 | C30 | C31 | 113.3° | 109.3° |
| C30 | C11 | C10 | 113.5° | 109.2° |
| C30 | C11 | H111 | 109.5° | 109.5° |
| C11 | C30 | H302 | 108.5° | 109.5° |
| C11 | C30 | H301 | 108.5° | 109.5° |
| C30 | C31 | N08 | 113.5° | 109.5° |
| C31 | C30 | H302 | 108.5° | 109.5° |
| C31 | C30 | H301 | 108.5° | 109.5° |
| C30 | C31 | H311 | 108.5° | 109.5° |
| C30 | C31 | H312 | 108.4° | 109.5° |
| C11 | C10 | C09 | 112.8° | 109.3° |
| C11 | C10 | H101 | 108.6° | 109.5° |
| C11 | C10 | H102 | 108.6° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C09 | N08 | 113.5° | 109.5° |
| C09 | C10 | H101 | 108.6° | 109.5° |
| C09 | C10 | H102 | 108.6° | 109.5° |
| C10 | C09 | H092 | 108.4° | 109.5° |
| C10 | C09 | H091 | 108.4° | 109.5° |
| C31 | N08 | C09 | 107.9° | 111.2° |
| C31 | N08 | C07 | 120.1° | 111.0° |
| N08 | C31 | H311 | 108.5° | 109.5° |
| N08 | C31 | H312 | 108.5° | 109.5° |
| C09 | N08 | C07 | 113.4° | 111.0° |
| N08 | C09 | H092 | 108.4° | 109.5° |
| N08 | C09 | H091 | 108.5° | 109.5° |
| N08 | C07 | N32 | 127.1° | 126.6° |
| N08 | C07 | O06 | 124.8° | 126.7° |
| C07 | N32 | C04 | 108.3° | 105.5° |
| N32 | C07 | O06 | 108.1° | 106.6° |
| N32 | C04 | C02 | 126.8° | 126.2° |
| N32 | C04 | N05 | 109.3° | 107.6° |
| C07 | O06 | N05 | 107.4° | 109.8° |
| C02 | C04 | N05 | 123.8° | 126.3° |
| C04 | C02 | C03 | 110.8° | 109.5° |
| C04 | C02 | C01 | 111.1° | 109.4° |
| C04 | C02 | H021 | 108.1° | 109.5° |
| C04 | N05 | O06 | 106.9° | 110.5° |
| C03 | C02 | C01 | 110.5° | 109.5° |
| C03 | C02 | H021 | 108.1° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.4° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.0° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H031 | C03 | H033 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.4° |
| H033 | C03 | H032 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.4° |
| H233 | C23 | H231 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.6° |
| H311 | C31 | H312 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | S22 | C23 | O24 | 112.2° | 136.8° |
| O25 | S22 | C23 | C21 | 123.0° | 111.6° |
| O25 | S22 | O24 | C21 | 117.1° | 116.7° |
| O25 | S22 | C21 | C20 | 55.6° | 26.1° |
| O25 | S22 | C21 | C26 | 123.6° | 153.9° |
| O25 | S22 | C23 | H232 | 180.0° | 68.4° |
| O25 | S22 | C23 | H233 | 60.0° | 51.6° |
| O25 | S22 | C23 | H231 | 60.0° | 171.6° |
| C23 | S22 | O24 | C21 | 125.6° | 111.7° |
| C23 | S22 | C21 | C20 | 67.9° | 90.0° |
| C23 | S22 | C21 | C26 | 112.9° | 90.0° |
| S22 | C23 | H232 | H233 | 120.0° | 120.0° |
| S22 | C23 | H232 | H231 | 120.0° | 119.9° |
| S22 | C23 | H233 | H231 | 120.0° | 120.0° |
| O24 | S22 | C21 | C20 | 168.2° | 153.9° |
| O24 | S22 | C21 | C26 | 11.0° | 26.1° |
| O24 | S22 | C23 | H232 | 67.8° | 68.3° |
| O24 | S22 | C23 | H233 | 52.1° | 171.6° |
| O24 | S22 | C23 | H231 | 172.1° | 51.6° |
| S22 | C21 | C20 | C26 | 179.2° | 180.0° |
| S22 | C21 | C20 | C19 | 179.7° | 180.0° |
| S22 | C21 | C26 | C27 | 179.6° | 180.0° |
| S22 | C21 | C20 | H201 | 0.3° | 0.3° |
| S22 | C21 | C26 | H261 | 0.3° | 0.0° |
| C21 | S22 | C23 | H232 | 57.1° | 179.9° |
| C21 | S22 | C23 | H233 | 177.0° | 60.0° |
| C21 | S22 | C23 | H231 | 63.0° | 60.0° |
| C21 | C20 | C19 | H201 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 0.5° | 0.0° |
| C20 | C21 | C26 | C27 | 0.4° | 0.0° |
| C20 | C21 | C26 | H261 | 179.6° | 180.0° |
| C21 | C20 | C19 | H191 | 179.5° | 179.9° |
| C19 | C20 | C21 | C26 | 0.5° | 0.0° |
| C20 | C19 | C18 | H191 | 180.0° | 179.9° |
| C20 | C19 | C18 | C27 | 0.5° | 0.0° |
| C20 | C19 | C18 | C17 | 179.5° | 180.0° |
| C21 | C26 | C27 | H261 | 180.0° | 180.0° |
| C21 | C26 | C27 | C18 | 0.4° | 0.0° |
| C26 | C21 | C20 | H201 | 179.5° | 179.7° |
| C21 | C26 | C27 | H271 | 179.6° | 180.0° |
| C19 | C18 | C27 | C26 | 0.4° | 0.0° |
| C19 | C18 | C27 | C17 | 179.1° | 180.0° |
| C19 | C18 | C17 | C16 | 31.9° | 0.9° |
| C19 | C18 | C17 | N28 | 147.7° | 180.0° |
| C18 | C19 | C20 | H201 | 179.5° | 179.7° |
| C19 | C18 | C27 | H271 | 179.6° | 180.0° |
| C26 | C27 | C18 | H271 | 180.0° | 179.9° |
| C26 | C27 | C18 | C17 | 179.5° | 180.0° |
| C27 | C18 | C17 | C16 | 149.0° | 179.2° |
| C27 | C18 | C17 | N28 | 31.4° | 0.0° |
| C18 | C27 | C26 | H261 | 179.6° | 180.0° |
| C27 | C18 | C19 | H191 | 179.5° | 180.0° |
| C18 | C17 | C16 | N28 | 179.6° | 179.2° |
| C18 | C17 | C16 | C15 | 179.7° | 179.7° |
| C18 | C17 | N28 | C29 | 179.7° | 180.0° |
| C18 | C17 | C16 | H161 | 0.3° | 0.3° |
| C17 | C18 | C19 | H191 | 0.4° | 0.1° |
| C17 | C18 | C27 | H271 | 0.5° | 0.1° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.0° | 0.1° |
| C16 | C17 | N28 | C29 | 0.6° | 0.9° |
| C17 | C16 | C15 | H151 | 179.9° | 179.7° |
| C15 | C16 | C17 | N28 | 0.1° | 0.5° |
| C16 | C15 | C14 | H151 | 180.0° | 179.7° |
| C16 | C15 | C14 | C29 | 0.2° | 0.3° |
| C16 | C15 | C14 | O13 | 179.9° | 179.7° |
| C17 | N28 | C29 | C14 | 0.9° | 0.6° |
| N28 | C17 | C16 | H161 | 179.9° | 179.5° |
| C17 | N28 | C29 | H291 | 179.0° | 179.5° |
| C15 | C14 | C29 | N28 | 0.7° | 0.1° |
| C15 | C14 | C29 | O13 | 179.7° | 180.0° |
| C15 | C14 | O13 | C12 | 20.7° | 180.0° |
| C14 | C15 | C16 | H161 | 179.9° | 180.0° |
| C15 | C14 | C29 | H291 | 179.3° | 180.0° |
| N28 | C29 | C14 | H291 | 180.0° | 179.9° |
| N28 | C29 | C14 | O13 | 179.6° | 180.0° |
| C29 | C14 | O13 | C12 | 159.7° | 0.0° |
| C29 | C14 | C15 | H151 | 179.8° | 179.9° |
| C14 | O13 | C12 | C11 | 170.0° | 180.0° |
| O13 | C14 | C15 | H151 | 0.1° | 0.0° |
| C14 | O13 | C12 | H121 | 50.1° | 60.0° |
| C14 | O13 | C12 | H122 | 70.0° | 60.0° |
| O13 | C14 | C29 | H291 | 0.4° | 0.0° |
| O13 | C12 | C11 | H121 | 119.9° | 120.0° |
| O13 | C12 | C11 | H122 | 119.9° | 120.0° |
| O13 | C12 | C11 | C30 | 176.8° | 65.3° |
| O13 | C12 | C11 | C10 | 53.8° | 175.0° |
| O13 | C12 | C11 | H111 | 64.9° | 54.8° |
| O13 | C12 | H121 | H122 | 120.3° | 120.0° |
| C12 | C11 | C30 | C10 | 119.6° | 119.9° |
| C12 | C11 | C30 | H111 | 117.7° | 120.1° |
| C12 | C11 | C30 | C31 | 179.1° | 177.6° |
| C12 | C11 | C10 | H111 | 118.1° | 120.1° |
| C12 | C11 | C10 | C09 | 146.4° | 177.6° |
| C12 | C11 | C10 | H101 | 25.9° | 62.4° |
| C12 | C11 | C10 | H102 | 93.1° | 57.7° |
| C11 | C12 | H121 | H122 | 120.3° | 120.0° |
| C12 | C11 | C30 | H302 | 60.3° | 62.5° |
| C12 | C11 | C30 | H301 | 58.5° | 57.7° |
| C11 | C30 | C31 | H302 | 120.6° | 119.9° |
| C11 | C30 | C31 | H301 | 120.6° | 119.9° |
| C30 | C11 | C10 | H111 | 122.7° | 119.9° |
| C30 | C11 | C10 | C09 | 27.2° | 57.6° |
| C11 | C30 | C31 | N08 | 28.3° | 59.2° |
| C30 | C11 | C10 | H101 | 93.3° | 177.6° |
| C30 | C11 | C10 | H102 | 147.7° | 62.2° |
| C30 | C11 | C12 | H121 | 63.3° | 174.7° |
| C30 | C11 | C12 | H122 | 56.9° | 54.7° |
| C11 | C30 | H302 | H301 | 118.2° | 120.1° |
| C11 | C30 | C31 | H311 | 92.3° | 179.2° |
| C11 | C30 | C31 | H312 | 148.9° | 60.8° |
| C31 | C30 | C11 | C10 | 59.5° | 57.7° |
| C30 | C31 | N08 | H311 | 120.6° | 120.0° |
| C30 | C31 | N08 | H312 | 120.6° | 120.0° |
| C30 | C31 | N08 | C09 | 28.6° | 61.8° |
| C30 | C31 | N08 | C07 | 160.6° | 62.4° |
| C31 | C30 | C11 | H111 | 63.2° | 62.3° |
| C31 | C30 | H302 | H301 | 118.3° | 120.1° |
| C30 | C31 | H311 | H312 | 118.1° | 120.0° |
| C11 | C10 | C09 | H101 | 120.5° | 120.0° |
| C11 | C10 | C09 | H102 | 120.5° | 119.9° |
| C11 | C10 | C09 | N08 | 33.1° | 59.2° |
| C11 | C10 | H101 | H102 | 118.5° | 120.1° |
| C11 | C10 | C09 | H092 | 87.5° | 179.2° |
| C11 | C10 | C09 | H091 | 153.7° | 60.9° |
| C10 | C11 | C12 | H121 | 173.7° | 55.0° |
| C10 | C11 | C12 | H122 | 66.1° | 65.0° |
| C10 | C11 | C30 | H302 | 179.9° | 177.6° |
| C10 | C11 | C30 | H301 | 61.1° | 62.2° |
| C10 | C09 | N08 | C31 | 60.9° | 61.8° |
| C10 | C09 | N08 | H092 | 120.6° | 120.0° |
| C10 | C09 | N08 | H091 | 120.6° | 120.0° |
| C10 | C09 | N08 | C07 | 163.5° | 62.4° |
| C09 | C10 | H101 | H102 | 118.5° | 120.1° |
| C10 | C09 | H092 | H091 | 118.1° | 120.0° |
| C09 | C10 | C11 | H111 | 95.5° | 62.3° |
| C31 | N08 | C09 | C07 | 135.5° | 124.1° |
| C31 | N08 | C07 | N32 | 68.4° | 55.4° |
| C31 | N08 | C07 | O06 | 114.4° | 124.2° |
| C31 | N08 | C09 | H092 | 59.6° | 178.2° |
| C31 | N08 | C09 | H091 | 178.5° | 58.3° |
| N08 | C31 | C30 | H302 | 148.9° | 179.1° |
| N08 | C31 | C30 | H301 | 92.3° | 60.7° |
| N08 | C31 | H311 | H312 | 118.2° | 120.0° |
| C09 | N08 | C07 | N32 | 61.2° | 179.7° |
| C09 | N08 | C07 | O06 | 116.0° | 0.0° |
| N08 | C09 | C10 | H101 | 153.6° | 179.2° |
| N08 | C09 | C10 | H102 | 87.4° | 60.7° |
| N08 | C09 | H092 | H091 | 118.2° | 120.0° |
| C09 | N08 | C31 | H311 | 149.2° | 178.2° |
| C09 | N08 | C31 | H312 | 92.0° | 58.2° |
| N08 | C07 | N32 | O06 | 177.5° | 179.7° |
| N08 | C07 | N32 | C04 | 178.3° | 179.9° |
| N08 | C07 | O06 | N05 | 178.4° | 180.0° |
| C07 | N08 | C09 | H092 | 75.9° | 57.7° |
| C07 | N08 | C09 | H091 | 42.9° | 177.6° |
| C07 | N08 | C31 | H311 | 78.8° | 57.7° |
| C07 | N08 | C31 | H312 | 40.0° | 177.6° |
| C07 | N32 | C04 | C02 | 179.3° | 179.8° |
| C07 | N32 | C04 | N05 | 0.4° | 0.4° |
| N32 | C07 | O06 | N05 | 0.8° | 0.3° |
| C04 | N32 | C07 | O06 | 0.7° | 0.4° |
| N32 | C04 | C02 | N05 | 179.6° | 179.8° |
| N32 | C04 | C02 | C03 | 64.5° | 120.3° |
| N32 | C04 | N05 | O06 | 0.1° | 0.3° |
| N32 | C04 | C02 | C01 | 172.2° | 119.7° |
| N32 | C04 | C02 | H021 | 53.8° | 0.2° |
| C07 | O06 | N05 | C04 | 0.5° | 0.0° |
| C04 | C02 | C03 | C01 | 123.7° | 119.9° |
| C04 | C02 | C03 | H021 | 118.3° | 120.1° |
| C02 | C04 | N05 | O06 | 179.8° | 179.9° |
| C04 | C02 | C01 | H021 | 118.4° | 120.0° |
| C04 | C02 | C01 | H011 | 180.0° | 180.0° |
| C04 | C02 | C01 | H012 | 60.0° | 60.0° |
| C04 | C02 | C01 | H013 | 60.0° | 60.0° |
| C04 | C02 | C03 | H031 | 180.0° | 60.0° |
| C04 | C02 | C03 | H033 | 60.0° | 60.1° |
| C04 | C02 | C03 | H032 | 60.0° | 180.0° |
| N05 | C04 | C02 | C03 | 115.9° | 59.9° |
| N05 | C04 | C02 | C01 | 7.4° | 60.0° |
| N05 | C04 | C02 | H021 | 125.8° | 180.0° |
| C03 | C02 | C01 | H021 | 118.1° | 120.1° |
| C03 | C02 | C01 | H011 | 56.5° | 60.0° |
| C03 | C02 | C01 | H012 | 63.5° | 180.0° |
| C03 | C02 | C01 | H013 | 176.5° | 60.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.0° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C02 | C03 | H033 | H032 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 56.3° | 59.9° |
| C01 | C02 | C03 | H033 | 176.3° | 180.0° |
| C01 | C02 | C03 | H032 | 63.7° | 60.0° |
| H101 | C10 | C09 | H092 | 33.0° | 60.8° |
| H101 | C10 | C09 | H091 | 85.8° | 59.1° |
| H101 | C10 | C11 | H111 | 144.0° | 57.7° |
| H102 | C10 | C09 | H092 | 152.0° | 59.3° |
| H102 | C10 | C09 | H091 | 33.2° | 179.2° |
| H102 | C10 | C11 | H111 | 24.9° | 177.8° |
| H151 | C15 | C16 | H161 | 0.1° | 0.3° |
| H201 | C20 | C19 | H191 | 0.5° | 0.2° |
| H261 | C26 | C27 | H271 | 0.4° | 0.1° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 61.5° | 60.0° |
| H012 | C01 | C02 | H021 | 178.5° | 60.0° |
| H013 | C01 | C02 | H021 | 58.5° | 180.0° |
| H021 | C02 | C03 | H031 | 61.7° | 179.9° |
| H021 | C02 | C03 | H033 | 58.3° | 60.0° |
| H021 | C02 | C03 | H032 | 178.3° | 60.0° |
| H031 | C03 | H033 | H032 | 120.0° | 119.9° |
| H111 | C11 | C12 | H121 | 55.0° | 65.2° |
| H111 | C11 | C12 | H122 | 175.2° | 174.8° |
| H111 | C11 | C30 | H302 | 57.4° | 57.6° |
| H111 | C11 | C30 | H301 | 176.2° | 177.8° |
| H232 | C23 | H233 | H231 | 120.0° | 120.0° |
| H302 | C30 | C31 | H311 | 28.3° | 60.9° |
| H302 | C30 | C31 | H312 | 90.5° | 59.1° |
| H301 | C30 | C31 | H311 | 147.1° | 59.3° |
| H301 | C30 | C31 | H312 | 28.3° | 179.3° |
