R1M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F23 | C21 | sing | 1.40Å | 1.34Å | |
| F22 | C21 | sing | 1.40Å | 1.35Å | |
| C21 | F24 | sing | 1.40Å | 1.34Å | |
| C21 | O20 | sing | 1.43Å | 1.36Å | |
| O20 | C19 | sing | 1.36Å | 1.38Å | |
| C19 | C18 | doub | 1.39Å | 1.37Å | Aromatic |
| C19 | C02 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| F01 | C02 | sing | 1.35Å | 1.34Å | |
| C02 | C03 | doub | 1.38Å | 1.36Å | Aromatic |
| C17 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.51Å | |
| C05 | N06 | sing | 1.47Å | 1.46Å | |
| C11 | N06 | sing | 1.47Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| N06 | C07 | sing | 1.47Å | 1.47Å | |
| C10 | N09 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | doub | 1.31Å | 1.31Å | |
| C15 | S12 | sing | 1.76Å | 1.79Å | |
| C07 | C08 | sing | 1.53Å | 1.51Å | |
| N09 | C08 | sing | 1.47Å | 1.47Å | |
| N09 | S12 | sing | 1.66Å | 1.69Å | |
| S12 | O13 | doub | 1.42Å | 1.57Å | |
| S12 | O14 | doub | 1.42Å | 1.59Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F23 | C21 | F22 | 109.0° | 109.4° |
| F23 | C21 | F24 | 107.6° | 109.5° |
| F23 | C21 | O20 | 110.7° | 109.4° |
| F22 | C21 | F24 | 107.8° | 109.5° |
| F22 | C21 | O20 | 110.3° | 109.5° |
| F24 | C21 | O20 | 111.3° | 109.5° |
| C21 | O20 | C19 | 124.9° | 117.0° |
| O20 | C19 | C18 | 117.2° | 120.1° |
| O20 | C19 | C02 | 122.4° | 120.1° |
| C18 | C19 | C02 | 120.4° | 119.9° |
| C19 | C18 | C17 | 119.3° | 119.9° |
| C19 | C18 | H16 | 120.4° | 120.0° |
| C19 | C02 | F01 | 120.0° | 120.1° |
| C19 | C02 | C03 | 121.3° | 119.9° |
| C18 | C17 | C04 | 119.8° | 120.1° |
| C18 | C17 | H3 | 120.1° | 119.9° |
| C17 | C18 | H16 | 120.3° | 120.0° |
| F01 | C02 | C03 | 118.8° | 120.0° |
| C02 | C03 | C04 | 119.0° | 120.0° |
| C02 | C03 | H11 | 120.5° | 120.0° |
| C17 | C04 | C03 | 120.3° | 120.1° |
| C17 | C04 | C05 | 120.9° | 119.9° |
| C04 | C17 | H3 | 120.1° | 120.0° |
| C03 | C04 | C05 | 118.8° | 120.0° |
| C04 | C03 | H11 | 120.5° | 120.0° |
| C04 | C05 | N06 | 109.3° | 109.5° |
| C04 | C05 | H9 | 109.5° | 109.4° |
| C04 | C05 | H10 | 109.5° | 109.5° |
| C05 | N06 | C11 | 111.9° | 111.1° |
| C05 | N06 | C07 | 111.3° | 111.0° |
| N06 | C05 | H9 | 109.5° | 109.4° |
| N06 | C05 | H10 | 109.5° | 109.5° |
| N06 | C11 | C10 | 106.6° | 109.4° |
| C11 | N06 | C07 | 114.0° | 111.3° |
| N06 | C11 | H1 | 110.2° | 109.5° |
| N06 | C11 | H2 | 110.2° | 109.5° |
| C11 | C10 | N09 | 102.0° | 108.5° |
| C10 | C11 | H1 | 110.2° | 109.5° |
| C10 | C11 | H2 | 110.1° | 109.5° |
| C11 | C10 | H14 | 111.3° | 109.6° |
| C11 | C10 | H15 | 111.3° | 109.7° |
| N06 | C07 | C08 | 108.7° | 109.4° |
| N06 | C07 | H7 | 109.7° | 109.5° |
| N06 | C07 | H8 | 109.7° | 109.5° |
| C10 | N09 | C08 | 115.7° | 118.3° |
| C10 | N09 | S12 | 119.2° | 120.9° |
| N09 | C10 | H14 | 111.3° | 109.6° |
| N09 | C10 | H15 | 111.3° | 109.6° |
| C16 | C15 | S12 | 115.8° | 120.0° |
| C16 | C15 | H4 | 122.1° | 120.0° |
| C15 | C16 | H5 | 120.0° | 120.0° |
| C15 | C16 | H6 | 120.0° | 120.0° |
| C15 | S12 | N09 | 103.9° | 107.2° |
| C15 | S12 | O13 | 113.7° | 106.4° |
| C15 | S12 | O14 | 105.1° | 106.4° |
| S12 | C15 | H4 | 122.1° | 120.0° |
| C07 | C08 | N09 | 102.1° | 108.5° |
| C08 | C07 | H7 | 109.7° | 109.5° |
| C08 | C07 | H8 | 109.7° | 109.5° |
| C07 | C08 | H12 | 111.3° | 109.6° |
| C07 | C08 | H13 | 111.3° | 109.6° |
| C08 | N09 | S12 | 114.4° | 120.9° |
| N09 | C08 | H12 | 111.3° | 109.6° |
| N09 | C08 | H13 | 111.3° | 109.8° |
| N09 | S12 | O13 | 104.4° | 106.4° |
| N09 | S12 | O14 | 108.0° | 106.4° |
| O13 | S12 | O14 | 120.4° | 123.2° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H5 | C16 | H6 | 120.0° | 120.0° |
| H7 | C07 | H8 | 109.5° | 109.4° |
| H9 | C05 | H10 | 109.5° | 109.5° |
| H12 | C08 | H13 | 109.4° | 109.7° |
| H14 | C10 | H15 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F23 | C21 | F22 | F24 | 116.5° | 120.0° |
| F23 | C21 | F22 | O20 | 121.7° | 119.9° |
| F23 | C21 | F24 | O20 | 121.5° | 120.0° |
| F23 | C21 | O20 | C19 | 163.2° | 180.0° |
| F22 | C21 | F24 | O20 | 121.1° | 120.1° |
| F22 | C21 | O20 | C19 | 76.1° | 60.1° |
| F24 | C21 | O20 | C19 | 43.5° | 60.0° |
| C21 | O20 | C19 | C18 | 106.4° | 0.0° |
| C21 | O20 | C19 | C02 | 73.7° | 179.5° |
| O20 | C19 | C18 | C02 | 180.0° | 179.5° |
| O20 | C19 | C18 | C17 | 179.6° | 180.0° |
| O20 | C19 | C02 | F01 | 0.2° | 0.2° |
| O20 | C19 | C02 | C03 | 180.0° | 179.7° |
| O20 | C19 | C18 | H16 | 0.4° | 0.0° |
| C19 | C18 | C17 | H16 | 180.0° | 180.0° |
| C18 | C19 | C02 | F01 | 179.9° | 179.8° |
| C18 | C19 | C02 | C03 | 0.0° | 0.7° |
| C19 | C18 | C17 | C04 | 0.6° | 0.0° |
| C19 | C18 | C17 | H3 | 179.4° | 179.7° |
| C02 | C19 | C18 | C17 | 0.4° | 0.5° |
| C19 | C02 | F01 | C03 | 179.9° | 179.5° |
| C19 | C02 | C03 | C04 | 0.2° | 0.5° |
| C19 | C02 | C03 | H11 | 179.8° | 179.5° |
| C02 | C19 | C18 | H16 | 179.6° | 179.6° |
| C18 | C17 | C04 | H3 | 180.0° | 179.7° |
| C18 | C17 | C04 | C03 | 0.4° | 0.2° |
| C18 | C17 | C04 | C05 | 179.8° | 179.7° |
| F01 | C02 | C03 | C04 | 179.6° | 180.0° |
| F01 | C02 | C03 | H11 | 0.4° | 0.0° |
| C02 | C03 | C04 | C17 | 0.1° | 0.0° |
| C02 | C03 | C04 | H11 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 179.8° | 180.0° |
| C17 | C04 | C03 | C05 | 179.8° | 179.9° |
| C17 | C04 | C05 | N06 | 47.0° | 90.0° |
| C17 | C04 | C05 | H9 | 167.0° | 150.0° |
| C17 | C04 | C05 | H10 | 72.9° | 30.0° |
| C17 | C04 | C03 | H11 | 179.9° | 180.0° |
| C04 | C17 | C18 | H16 | 179.4° | 180.0° |
| C03 | C04 | C05 | N06 | 133.1° | 89.9° |
| C03 | C04 | C17 | H3 | 179.6° | 179.9° |
| C03 | C04 | C05 | H9 | 13.1° | 30.0° |
| C03 | C04 | C05 | H10 | 106.9° | 150.0° |
| C04 | C05 | N06 | H9 | 120.0° | 120.0° |
| C04 | C05 | N06 | H10 | 120.0° | 120.0° |
| C04 | C05 | N06 | C11 | 63.5° | 170.0° |
| C04 | C05 | N06 | C07 | 167.7° | 65.7° |
| C05 | C04 | C17 | H3 | 0.2° | 0.0° |
| C04 | C05 | H9 | H10 | 120.1° | 120.0° |
| C05 | C04 | C03 | H11 | 0.2° | 0.1° |
| C05 | N06 | C11 | C07 | 127.3° | 124.2° |
| C05 | N06 | C11 | C10 | 170.7° | 172.8° |
| C05 | N06 | C07 | C08 | 171.3° | 172.7° |
| C05 | N06 | C11 | H1 | 51.1° | 67.3° |
| C05 | N06 | C11 | H2 | 69.8° | 52.7° |
| C05 | N06 | C07 | H7 | 68.9° | 52.7° |
| C05 | N06 | C07 | H8 | 51.4° | 67.3° |
| N06 | C05 | H9 | H10 | 120.1° | 120.0° |
| N06 | C11 | C10 | H1 | 119.6° | 120.0° |
| N06 | C11 | C10 | H2 | 119.6° | 120.0° |
| N06 | C11 | C10 | N09 | 59.8° | 53.8° |
| C11 | N06 | C07 | C08 | 61.1° | 63.1° |
| N06 | C11 | H1 | H2 | 121.3° | 120.0° |
| C11 | N06 | C07 | H7 | 58.8° | 176.9° |
| C11 | N06 | C07 | H8 | 179.0° | 56.9° |
| C11 | N06 | C05 | H9 | 56.5° | 50.0° |
| C11 | N06 | C05 | H10 | 176.5° | 70.0° |
| N06 | C11 | C10 | H14 | 59.0° | 65.9° |
| N06 | C11 | C10 | H15 | 178.6° | 173.6° |
| C10 | C11 | N06 | C07 | 62.0° | 63.1° |
| C11 | C10 | N09 | H14 | 118.8° | 119.7° |
| C11 | C10 | N09 | H15 | 118.8° | 119.8° |
| C11 | C10 | N09 | C08 | 70.2° | 51.1° |
| C11 | C10 | N09 | S12 | 147.3° | 128.8° |
| C10 | C11 | H1 | H2 | 121.3° | 120.1° |
| C11 | C10 | H14 | H15 | 123.5° | 120.5° |
| N06 | C07 | C08 | H7 | 119.9° | 120.0° |
| N06 | C07 | C08 | H8 | 119.9° | 120.0° |
| N06 | C07 | C08 | N09 | 57.1° | 53.8° |
| C07 | N06 | C11 | H1 | 178.4° | 56.9° |
| C07 | N06 | C11 | H2 | 57.5° | 176.9° |
| N06 | C07 | H7 | H8 | 120.3° | 120.1° |
| C07 | N06 | C05 | H9 | 72.3° | 174.3° |
| C07 | N06 | C05 | H10 | 47.8° | 54.3° |
| N06 | C07 | C08 | H12 | 176.0° | 173.5° |
| N06 | C07 | C08 | H13 | 61.7° | 66.1° |
| C10 | N09 | S12 | C15 | 37.7° | 89.9° |
| C10 | N09 | C08 | C07 | 68.2° | 51.1° |
| C10 | N09 | C08 | S12 | 144.3° | 179.9° |
| C10 | N09 | S12 | O13 | 81.7° | 23.6° |
| C10 | N09 | S12 | O14 | 149.0° | 156.5° |
| N09 | C10 | C11 | H1 | 179.3° | 66.2° |
| N09 | C10 | C11 | H2 | 59.8° | 173.8° |
| C10 | N09 | C08 | H12 | 173.0° | 170.8° |
| C10 | N09 | C08 | H13 | 50.6° | 68.6° |
| N09 | C10 | H14 | H15 | 123.5° | 120.5° |
| C16 | C15 | S12 | H4 | 180.0° | 180.0° |
| C16 | C15 | S12 | N09 | 138.0° | 115.0° |
| C16 | C15 | S12 | O13 | 109.1° | 131.5° |
| C16 | C15 | S12 | O14 | 24.7° | 1.5° |
| C15 | C16 | H5 | H6 | 180.0° | 179.9° |
| C15 | S12 | N09 | C08 | 105.3° | 90.0° |
| C15 | S12 | N09 | O13 | 119.4° | 113.5° |
| C15 | S12 | N09 | O14 | 111.3° | 113.5° |
| C15 | S12 | O13 | O14 | 126.1° | 123.0° |
| S12 | C15 | C16 | H5 | 180.0° | 0.0° |
| S12 | C15 | C16 | H6 | 0.0° | 180.0° |
| C07 | C08 | N09 | H12 | 118.8° | 119.7° |
| C07 | C08 | N09 | H13 | 118.8° | 119.8° |
| C07 | C08 | N09 | S12 | 147.4° | 128.8° |
| C08 | C07 | H7 | H8 | 120.4° | 120.0° |
| C07 | C08 | H12 | H13 | 123.4° | 120.4° |
| C08 | N09 | S12 | O13 | 135.3° | 156.5° |
| C08 | N09 | S12 | O14 | 6.0° | 23.6° |
| N09 | C08 | C07 | H7 | 62.7° | 173.8° |
| N09 | C08 | C07 | H8 | 177.0° | 66.2° |
| N09 | C08 | H12 | H13 | 123.4° | 120.6° |
| C08 | N09 | C10 | H14 | 48.6° | 68.5° |
| C08 | N09 | C10 | H15 | 171.0° | 170.9° |
| N09 | S12 | O13 | O14 | 121.4° | 123.0° |
| N09 | S12 | C15 | H4 | 42.0° | 64.9° |
| S12 | N09 | C08 | H12 | 28.6° | 9.1° |
| S12 | N09 | C08 | H13 | 93.7° | 111.4° |
| S12 | N09 | C10 | H14 | 93.9° | 111.5° |
| S12 | N09 | C10 | H15 | 28.5° | 9.0° |
| O13 | S12 | C15 | H4 | 70.9° | 48.6° |
| O14 | S12 | C15 | H4 | 155.3° | 178.5° |
| H1 | C11 | C10 | H14 | 60.6° | 174.2° |
| H1 | C11 | C10 | H15 | 61.9° | 53.6° |
| H2 | C11 | C10 | H14 | 178.6° | 54.1° |
| H2 | C11 | C10 | H15 | 59.0° | 66.4° |
| H3 | C17 | C18 | H16 | 0.6° | 0.3° |
| H4 | C15 | C16 | H5 | 0.0° | 179.9° |
| H4 | C15 | C16 | H6 | 180.0° | 0.0° |
| H7 | C07 | C08 | H12 | 56.1° | 66.5° |
| H7 | C07 | C08 | H13 | 178.4° | 53.9° |
| H8 | C07 | C08 | H12 | 64.1° | 53.5° |
| H8 | C07 | C08 | H13 | 58.2° | 173.9° |
