R8Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.53Å | 1.61Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.65Å | |
| C20 | S21 | sing | 1.82Å | 1.71Å | |
| C01 | N02 | sing | 1.47Å | 1.44Å | |
| C17 | N02 | sing | 1.47Å | 1.43Å | |
| C17 | C23 | sing | 1.53Å | 1.53Å | |
| S21 | O24 | doub | 1.42Å | 1.46Å | |
| S21 | O22 | doub | 1.42Å | 1.45Å | |
| S21 | C23 | sing | 1.82Å | 1.74Å | |
| N02 | C03 | sing | 1.38Å | 1.46Å | |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C05 | sing | 1.39Å | 1.43Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.40Å | 1.44Å | Aromatic |
| C03 | N16 | sing | 1.33Å | 1.33Å | Aromatic |
| C05 | C04 | sing | 1.47Å | 1.48Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C08 | F11 | sing | 1.35Å | 1.37Å | |
| C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| N16 | C15 | doub | 1.32Å | 1.32Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C06 | N12 | sing | 1.39Å | 1.35Å | Aromatic |
| C13 | N12 | sing | 1.37Å | 1.35Å | Aromatic |
| C13 | N14 | doub | 1.33Å | 1.35Å | Aromatic |
| C15 | N14 | sing | 1.32Å | 1.31Å | Aromatic |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | C20 | 114.1° | 110.0° |
| C19 | C18 | C17 | 115.6° | 110.6° |
| C19 | C18 | H182 | 107.9° | 109.2° |
| C19 | C18 | H181 | 107.9° | 109.2° |
| C18 | C19 | H192 | 108.3° | 109.4° |
| C18 | C19 | H191 | 108.3° | 109.4° |
| C19 | C20 | S21 | 113.1° | 109.0° |
| C19 | C20 | H201 | 108.5° | 109.6° |
| C19 | C20 | H202 | 108.6° | 109.6° |
| C20 | C19 | H192 | 108.3° | 109.4° |
| C20 | C19 | H191 | 108.3° | 109.4° |
| C18 | C17 | N02 | 115.8° | 109.4° |
| C18 | C17 | C23 | 109.4° | 110.0° |
| C17 | C18 | H182 | 107.9° | 109.2° |
| C17 | C18 | H181 | 107.9° | 109.3° |
| C18 | C17 | H171 | 104.2° | 109.4° |
| C20 | S21 | O24 | 109.4° | 108.7° |
| C20 | S21 | O22 | 94.6° | 108.7° |
| C20 | S21 | C23 | 107.8° | 101.3° |
| S21 | C20 | H201 | 108.6° | 109.6° |
| S21 | C20 | H202 | 108.6° | 109.5° |
| C01 | N02 | C17 | 120.3° | 111.0° |
| C01 | N02 | C03 | 120.8° | 111.0° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C17 | C23 | 114.4° | 109.4° |
| C17 | N02 | C03 | 118.8° | 111.0° |
| N02 | C17 | H171 | 106.5° | 109.4° |
| C17 | C23 | S21 | 115.2° | 109.0° |
| C23 | C17 | H171 | 105.4° | 109.3° |
| C17 | C23 | H231 | 108.0° | 109.6° |
| C17 | C23 | H232 | 108.0° | 109.5° |
| O24 | S21 | O22 | 118.9° | 119.3° |
| O24 | S21 | C23 | 109.9° | 108.7° |
| O22 | S21 | C23 | 114.7° | 108.7° |
| S21 | C23 | H231 | 108.0° | 109.5° |
| S21 | C23 | H232 | 108.0° | 109.6° |
| N02 | C03 | C04 | 126.0° | 120.7° |
| N02 | C03 | N16 | 114.5° | 120.8° |
| C09 | C10 | C05 | 120.6° | 119.8° |
| C10 | C09 | C08 | 121.0° | 120.3° |
| C09 | C10 | H101 | 119.7° | 120.1° |
| C10 | C09 | H091 | 119.5° | 119.9° |
| C10 | C05 | C04 | 136.1° | 133.7° |
| C10 | C05 | C06 | 117.4° | 120.1° |
| C05 | C10 | H101 | 119.7° | 120.1° |
| C09 | C08 | F11 | 120.3° | 119.8° |
| C09 | C08 | C07 | 118.9° | 120.5° |
| C08 | C09 | H091 | 119.5° | 119.9° |
| C04 | C03 | N16 | 119.5° | 118.5° |
| C03 | C04 | C05 | 140.2° | 134.7° |
| C03 | C04 | C13 | 115.3° | 118.7° |
| C03 | N16 | C15 | 122.3° | 120.9° |
| C04 | C05 | C06 | 106.4° | 106.3° |
| C05 | C04 | C13 | 104.5° | 106.6° |
| C05 | C06 | C07 | 121.6° | 119.3° |
| C05 | C06 | N12 | 108.6° | 108.3° |
| F11 | C08 | C07 | 120.8° | 119.8° |
| C08 | C07 | C06 | 120.4° | 120.0° |
| C08 | C07 | H071 | 119.8° | 120.0° |
| C04 | C13 | N12 | 109.7° | 108.4° |
| C04 | C13 | N14 | 120.8° | 118.5° |
| N16 | C15 | N14 | 120.5° | 122.6° |
| N16 | C15 | H151 | 119.8° | 118.8° |
| C07 | C06 | N12 | 129.8° | 132.3° |
| C06 | C07 | H071 | 119.8° | 120.0° |
| C06 | N12 | C13 | 110.8° | 110.4° |
| C06 | N12 | H121 | 124.6° | 124.7° |
| N12 | C13 | N14 | 129.5° | 133.1° |
| C13 | N12 | H121 | 124.6° | 124.9° |
| C13 | N14 | C15 | 121.5° | 120.8° |
| N14 | C15 | H151 | 119.7° | 118.7° |
| H182 | C18 | H181 | 109.4° | 109.3° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.3° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | C20 | H192 | 120.7° | 120.2° |
| C18 | C19 | C20 | H191 | 120.7° | 120.2° |
| C19 | C18 | C17 | H182 | 120.9° | 120.2° |
| C19 | C18 | C17 | H181 | 120.9° | 120.3° |
| C18 | C19 | C20 | S21 | 60.0° | 63.7° |
| C19 | C18 | C17 | N02 | 101.2° | 169.9° |
| C19 | C18 | C17 | C23 | 29.8° | 70.0° |
| C19 | C18 | H182 | H181 | 117.2° | 119.4° |
| C19 | C18 | C17 | H171 | 142.1° | 50.1° |
| C18 | C19 | C20 | H201 | 60.5° | 56.2° |
| C18 | C19 | C20 | H202 | 179.4° | 176.4° |
| C18 | C19 | H192 | H191 | 117.9° | 119.7° |
| C20 | C19 | C18 | C17 | 30.0° | 70.0° |
| C19 | C20 | S21 | H201 | 120.5° | 119.9° |
| C19 | C20 | S21 | H202 | 120.6° | 119.9° |
| C19 | C20 | S21 | O24 | 89.8° | 60.0° |
| C19 | C20 | S21 | O22 | 147.3° | 168.7° |
| C19 | C20 | S21 | C23 | 29.6° | 54.3° |
| C20 | C19 | C18 | H182 | 150.9° | 50.3° |
| C20 | C19 | C18 | H181 | 90.9° | 169.7° |
| C19 | C20 | H201 | H202 | 118.4° | 120.2° |
| C20 | C19 | H192 | H191 | 117.9° | 119.8° |
| C18 | C17 | N02 | C01 | 5.6° | 61.5° |
| C18 | C17 | N02 | C23 | 128.6° | 120.6° |
| C18 | C17 | N02 | H171 | 115.4° | 119.8° |
| C18 | C17 | C23 | H171 | 111.5° | 120.2° |
| C18 | C17 | C23 | S21 | 59.3° | 63.6° |
| C18 | C17 | N02 | C03 | 178.7° | 174.5° |
| C17 | C18 | H182 | H181 | 117.2° | 119.5° |
| C17 | C18 | C19 | H192 | 150.7° | 169.9° |
| C17 | C18 | C19 | H191 | 90.7° | 50.2° |
| C18 | C17 | C23 | H231 | 61.5° | 176.5° |
| C18 | C17 | C23 | H232 | 179.9° | 56.3° |
| C20 | S21 | C23 | C17 | 30.6° | 54.3° |
| C20 | S21 | O24 | O22 | 106.9° | 125.3° |
| C20 | S21 | O24 | C23 | 118.2° | 109.4° |
| C20 | S21 | O22 | C23 | 112.0° | 109.4° |
| S21 | C20 | H201 | H202 | 118.4° | 120.2° |
| S21 | C20 | C19 | H192 | 179.3° | 176.2° |
| S21 | C20 | C19 | H191 | 60.7° | 56.5° |
| C20 | S21 | C23 | H231 | 90.2° | 174.2° |
| C20 | S21 | C23 | H232 | 151.5° | 65.6° |
| C01 | N02 | C17 | C03 | 175.7° | 124.0° |
| C01 | N02 | C17 | C23 | 134.2° | 177.9° |
| C01 | N02 | C03 | C04 | 26.2° | 120.3° |
| C01 | N02 | C03 | N16 | 153.3° | 60.5° |
| C01 | N02 | C17 | H171 | 109.8° | 58.3° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| N02 | C17 | C23 | H171 | 116.6° | 119.7° |
| N02 | C17 | C23 | S21 | 72.5° | 176.2° |
| C17 | N02 | C03 | C04 | 158.2° | 115.8° |
| C17 | N02 | C03 | N16 | 22.4° | 63.4° |
| N02 | C17 | C18 | H182 | 137.9° | 69.9° |
| N02 | C17 | C18 | H181 | 19.7° | 49.6° |
| C17 | N02 | C01 | H011 | 180.0° | 66.7° |
| C17 | N02 | C01 | H013 | 60.0° | 173.3° |
| C17 | N02 | C01 | H012 | 60.0° | 53.3° |
| N02 | C17 | C23 | H231 | 166.7° | 56.3° |
| N02 | C17 | C23 | H232 | 48.3° | 63.9° |
| C17 | C23 | S21 | O24 | 149.8° | 60.0° |
| C17 | C23 | S21 | O22 | 73.2° | 168.6° |
| C17 | C23 | S21 | H231 | 120.8° | 119.9° |
| C17 | C23 | S21 | H232 | 120.8° | 119.9° |
| C23 | C17 | N02 | C03 | 50.1° | 54.0° |
| C23 | C17 | C18 | H182 | 91.1° | 50.2° |
| C23 | C17 | C18 | H181 | 150.7° | 169.8° |
| C17 | C23 | H231 | H232 | 117.4° | 120.2° |
| O24 | S21 | O22 | C23 | 132.9° | 125.3° |
| O24 | S21 | C20 | H201 | 149.7° | 179.9° |
| O24 | S21 | C20 | H202 | 30.7° | 59.9° |
| O24 | S21 | C23 | H231 | 28.9° | 59.8° |
| O24 | S21 | C23 | H232 | 89.4° | 179.9° |
| O22 | S21 | C20 | H201 | 26.8° | 48.8° |
| O22 | S21 | C20 | H202 | 92.1° | 71.4° |
| O22 | S21 | C23 | H231 | 165.9° | 71.5° |
| O22 | S21 | C23 | H232 | 47.6° | 48.8° |
| S21 | C23 | C17 | H171 | 170.8° | 56.5° |
| C23 | S21 | C20 | H201 | 90.9° | 65.6° |
| C23 | S21 | C20 | H202 | 150.2° | 174.2° |
| S21 | C23 | H231 | H232 | 117.3° | 120.3° |
| N02 | C03 | C04 | N16 | 179.4° | 179.2° |
| N02 | C03 | C04 | C05 | 0.6° | 0.8° |
| N02 | C03 | C04 | C13 | 179.6° | 180.0° |
| N02 | C03 | N16 | C15 | 179.4° | 179.7° |
| C03 | N02 | C17 | H171 | 65.9° | 65.7° |
| C03 | N02 | C01 | H011 | 4.4° | 169.4° |
| C03 | N02 | C01 | H013 | 115.5° | 49.3° |
| C03 | N02 | C01 | H012 | 124.4° | 70.6° |
| C09 | C10 | C05 | H101 | 180.0° | 179.9° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C09 | C10 | C05 | C04 | 179.7° | 179.9° |
| C09 | C10 | C05 | C06 | 0.5° | 0.1° |
| C10 | C09 | C08 | F11 | 179.2° | 180.0° |
| C10 | C09 | C08 | C07 | 1.3° | 0.1° |
| C05 | C10 | C09 | C08 | 1.3° | 0.1° |
| C10 | C05 | C04 | C03 | 0.9° | 0.0° |
| C10 | C05 | C04 | C06 | 179.8° | 180.0° |
| C10 | C05 | C04 | C13 | 179.9° | 179.3° |
| C10 | C05 | C06 | C07 | 0.2° | 0.0° |
| C10 | C05 | C06 | N12 | 179.9° | 178.9° |
| C05 | C10 | C09 | H091 | 178.7° | 180.0° |
| C09 | C08 | F11 | C07 | 179.5° | 179.9° |
| C09 | C08 | C07 | C06 | 0.5° | 0.0° |
| C08 | C09 | C10 | H101 | 178.7° | 180.0° |
| C09 | C08 | C07 | H071 | 179.6° | 179.9° |
| C03 | C04 | C05 | C13 | 179.0° | 179.3° |
| C03 | C04 | C05 | C06 | 179.4° | 180.0° |
| C04 | C03 | N16 | C15 | 1.1° | 0.5° |
| C03 | C04 | C13 | N12 | 179.8° | 179.5° |
| C03 | C04 | C13 | N14 | 0.6° | 0.5° |
| N16 | C03 | C04 | C05 | 178.8° | 180.0° |
| N16 | C03 | C04 | C13 | 0.2° | 0.8° |
| C03 | N16 | C15 | N14 | 1.3° | 0.0° |
| C03 | N16 | C15 | H151 | 178.7° | 179.7° |
| C04 | C05 | C06 | C07 | 179.6° | 180.0° |
| C04 | C05 | C06 | N12 | 0.0° | 1.1° |
| C05 | C04 | C13 | N12 | 0.5° | 0.0° |
| C05 | C04 | C13 | N14 | 179.9° | 179.9° |
| C04 | C05 | C10 | H101 | 0.3° | 0.0° |
| C05 | C06 | C07 | C08 | 0.3° | 0.0° |
| C06 | C05 | C04 | C13 | 0.3° | 0.7° |
| C05 | C06 | C07 | N12 | 179.6° | 178.6° |
| C05 | C06 | N12 | C13 | 0.3° | 1.1° |
| C06 | C05 | C10 | H101 | 179.5° | 180.0° |
| C05 | C06 | C07 | H071 | 179.7° | 180.0° |
| C05 | C06 | N12 | H121 | 179.7° | 179.6° |
| F11 | C08 | C07 | C06 | 180.0° | 179.9° |
| F11 | C08 | C07 | H071 | 0.0° | 0.0° |
| F11 | C08 | C09 | H091 | 0.8° | 0.1° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C08 | C07 | C06 | N12 | 179.8° | 178.6° |
| C07 | C08 | C09 | H091 | 178.8° | 180.0° |
| C04 | C13 | N12 | C06 | 0.5° | 0.7° |
| C04 | C13 | N12 | N14 | 179.5° | 179.9° |
| C04 | C13 | N14 | C15 | 0.5° | 0.0° |
| C04 | C13 | N12 | H121 | 179.5° | 180.0° |
| N16 | C15 | N14 | C13 | 0.5° | 0.3° |
| N16 | C15 | N14 | H151 | 180.0° | 179.7° |
| C07 | C06 | N12 | C13 | 179.9° | 179.8° |
| C07 | C06 | N12 | H121 | 0.1° | 0.9° |
| C06 | N12 | C13 | H121 | 180.0° | 179.3° |
| C06 | N12 | C13 | N14 | 179.9° | 179.4° |
| N12 | C06 | C07 | H071 | 0.2° | 1.4° |
| N12 | C13 | N14 | C15 | 180.0° | 180.0° |
| C13 | N14 | C15 | H151 | 179.5° | 180.0° |
| N14 | C13 | N12 | H121 | 0.0° | 0.1° |
| H182 | C18 | C17 | H171 | 21.2° | 170.4° |
| H182 | C18 | C19 | H192 | 88.4° | 69.9° |
| H182 | C18 | C19 | H191 | 30.2° | 170.5° |
| H181 | C18 | C17 | H171 | 97.0° | 70.1° |
| H181 | C18 | C19 | H192 | 29.8° | 49.6° |
| H181 | C18 | C19 | H191 | 148.4° | 70.1° |
| H171 | C17 | C23 | H231 | 50.0° | 63.3° |
| H171 | C17 | C23 | H232 | 68.3° | 176.5° |
| H101 | C10 | C09 | H091 | 1.3° | 0.1° |
| H201 | C20 | C19 | H192 | 60.2° | 63.9° |
| H201 | C20 | C19 | H191 | 178.8° | 176.4° |
| H202 | C20 | C19 | H192 | 58.8° | 56.3° |
| H202 | C20 | C19 | H191 | 59.9° | 63.4° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |






