GF5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C01 | sing | 1.47Å | 1.49Å | |
| O07 | C12 | doub | 1.21Å | 1.50Å | |
| O02 | S02 | doub | 1.42Å | 1.44Å | |
| C12 | C01 | sing | 1.51Å | 1.53Å | |
| C12 | O08 | sing | 1.34Å | 1.36Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| S02 | C08 | sing | 1.81Å | 1.67Å | |
| S02 | O03 | doub | 1.42Å | 1.44Å | |
| O01 | C04 | doub | 1.21Å | 1.43Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | S01 | sing | 1.81Å | 1.76Å | |
| C03 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | N02 | sing | 1.35Å | 1.48Å | |
| S01 | C06 | sing | 1.81Å | 1.76Å | |
| N02 | C05 | sing | 1.47Å | 1.47Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C05 | C09 | sing | 1.51Å | 1.52Å | |
| C09 | N03 | sing | 1.35Å | 1.47Å | |
| C09 | O04 | doub | 1.21Å | 1.43Å | |
| N03 | C10 | sing | 1.47Å | 1.46Å | |
| O05 | C11 | sing | 1.34Å | 1.43Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C11 | O06 | doub | 1.21Å | 1.43Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| N01 | H17 | sing | 1.01Å | 1.00Å | |
| N01 | H18 | sing | 1.01Å | 1.00Å | |
| N02 | H20 | sing | 0.97Å | 1.00Å | |
| N03 | H22 | sing | 0.97Å | 1.00Å | |
| O05 | H28 | sing | 0.97Å | 0.95Å | |
| O08 | H31 | sing | 0.97Å | 0.95Å | |
| S02 | F1 | sing | 1.61Å | 1.55Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C01 | C12 | 112.9° | 109.4° |
| N01 | C01 | C02 | 109.4° | 109.5° |
| N01 | C01 | H1 | 108.6° | 109.4° |
| C01 | N01 | H17 | 109.5° | 111.0° |
| C01 | N01 | H18 | 109.5° | 111.0° |
| O07 | C12 | C01 | 114.1° | 120.0° |
| O07 | C12 | O08 | 111.8° | 120.0° |
| O02 | S02 | C08 | 108.3° | 110.5° |
| O02 | S02 | O03 | 107.5° | 121.0° |
| O02 | S02 | F1 | 113.3° | 104.3° |
| C01 | C12 | O08 | 110.2° | 120.0° |
| C12 | C01 | C02 | 109.6° | 109.5° |
| C12 | C01 | H1 | 108.1° | 109.5° |
| C12 | O08 | H31 | 109.5° | 117.0° |
| C01 | C02 | C03 | 112.3° | 109.5° |
| C02 | C01 | H1 | 108.1° | 109.5° |
| C01 | C02 | H2 | 108.7° | 109.5° |
| C01 | C02 | H3 | 108.8° | 109.5° |
| C02 | C03 | C04 | 113.1° | 109.5° |
| C03 | C02 | H2 | 108.8° | 109.4° |
| C03 | C02 | H3 | 108.7° | 109.5° |
| C02 | C03 | H4 | 108.5° | 109.5° |
| C02 | C03 | H5 | 108.5° | 109.5° |
| C08 | S02 | O03 | 109.5° | 110.5° |
| S02 | C08 | C07 | 111.8° | 109.5° |
| S02 | C08 | H12 | 108.9° | 109.4° |
| S02 | C08 | H13 | 108.9° | 109.5° |
| C08 | S02 | F1 | 109.5° | 104.4° |
| O03 | S02 | F1 | 108.6° | 104.3° |
| O01 | C04 | C03 | 108.8° | 120.0° |
| O01 | C04 | N02 | 109.7° | 120.0° |
| C08 | C07 | S01 | 107.2° | 109.5° |
| C08 | C07 | H10 | 110.0° | 109.5° |
| C08 | C07 | H11 | 110.1° | 109.5° |
| C07 | C08 | H12 | 108.9° | 109.5° |
| C07 | C08 | H13 | 108.9° | 109.5° |
| C07 | S01 | C06 | 107.9° | 103.0° |
| S01 | C07 | H10 | 110.1° | 109.5° |
| S01 | C07 | H11 | 110.0° | 109.5° |
| C03 | C04 | N02 | 114.7° | 120.0° |
| C04 | C03 | H4 | 108.5° | 109.5° |
| C04 | C03 | H5 | 108.6° | 109.4° |
| C04 | N02 | C05 | 112.6° | 120.0° |
| C04 | N02 | H20 | 123.7° | 120.0° |
| S01 | C06 | C05 | 111.4° | 109.5° |
| S01 | C06 | H8 | 109.0° | 109.4° |
| S01 | C06 | H9 | 109.0° | 109.5° |
| N02 | C05 | C06 | 109.4° | 109.5° |
| N02 | C05 | C09 | 105.6° | 109.5° |
| N02 | C05 | H7 | 110.5° | 109.4° |
| C05 | N02 | H20 | 123.8° | 120.0° |
| C06 | C05 | C09 | 112.0° | 109.5° |
| C06 | C05 | H7 | 109.5° | 109.5° |
| C05 | C06 | H8 | 109.0° | 109.5° |
| C05 | C06 | H9 | 109.0° | 109.5° |
| C05 | C09 | N03 | 109.1° | 120.0° |
| C05 | C09 | O04 | 109.4° | 120.0° |
| C09 | C05 | H7 | 109.7° | 109.5° |
| N03 | C09 | O04 | 111.0° | 120.0° |
| C09 | N03 | C10 | 108.4° | 120.0° |
| C09 | N03 | H22 | 125.8° | 120.0° |
| N03 | C10 | C11 | 109.7° | 109.5° |
| N03 | C10 | H15 | 109.4° | 109.5° |
| N03 | C10 | H16 | 109.4° | 109.5° |
| C10 | N03 | H22 | 125.8° | 120.0° |
| O05 | C11 | C10 | 111.0° | 120.0° |
| O05 | C11 | O06 | 110.6° | 120.0° |
| C11 | O05 | H28 | 109.5° | 117.0° |
| C10 | C11 | O06 | 109.1° | 120.0° |
| C11 | C10 | H15 | 109.4° | 109.4° |
| C11 | C10 | H16 | 109.4° | 109.5° |
| H2 | C02 | H3 | 109.4° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H8 | C06 | H9 | 109.4° | 109.4° |
| H10 | C07 | H11 | 109.5° | 109.5° |
| H12 | C08 | H13 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H17 | N01 | H18 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C01 | C12 | O07 | 4.8° | 20.0° |
| N01 | C01 | C12 | C02 | 122.2° | 120.0° |
| N01 | C01 | C12 | H1 | 120.2° | 120.0° |
| N01 | C01 | C12 | O08 | 131.5° | 160.0° |
| N01 | C01 | C02 | H1 | 118.1° | 120.0° |
| N01 | C01 | C02 | C03 | 176.5° | 65.0° |
| N01 | C01 | C02 | H2 | 56.1° | 54.9° |
| N01 | C01 | C02 | H3 | 63.1° | 175.0° |
| C01 | N01 | H17 | H18 | 120.0° | 124.0° |
| O07 | C12 | C01 | O08 | 126.7° | 180.0° |
| O07 | C12 | C01 | C02 | 127.0° | 100.0° |
| O07 | C12 | C01 | H1 | 115.4° | 140.0° |
| O07 | C12 | O08 | H31 | 0.0° | 0.1° |
| O02 | S02 | C08 | O03 | 117.0° | 136.7° |
| O02 | S02 | C08 | F1 | 124.0° | 111.7° |
| O02 | S02 | O03 | F1 | 123.0° | 116.8° |
| O02 | S02 | C08 | C07 | 57.5° | 76.7° |
| O02 | S02 | C08 | H12 | 62.9° | 163.3° |
| O02 | S02 | C08 | H13 | 177.8° | 43.3° |
| C12 | C01 | C02 | H1 | 117.6° | 120.1° |
| C12 | C01 | C02 | C03 | 59.2° | 175.0° |
| C12 | C01 | C02 | H2 | 179.7° | 65.0° |
| C12 | C01 | C02 | H3 | 61.2° | 55.0° |
| C12 | C01 | N01 | H17 | 180.0° | 60.0° |
| C12 | C01 | N01 | H18 | 60.0° | 176.1° |
| C01 | C12 | O08 | H31 | 127.9° | 180.0° |
| O08 | C12 | C01 | C02 | 106.3° | 80.0° |
| O08 | C12 | C01 | H1 | 11.3° | 40.1° |
| C01 | C02 | C03 | H2 | 120.4° | 120.0° |
| C01 | C02 | C03 | H3 | 120.4° | 120.0° |
| C01 | C02 | C03 | C04 | 158.1° | 180.0° |
| C01 | C02 | H2 | H3 | 118.7° | 120.1° |
| C01 | C02 | C03 | H4 | 81.4° | 60.0° |
| C01 | C02 | C03 | H5 | 37.5° | 60.0° |
| C02 | C01 | N01 | H17 | 57.7° | 60.0° |
| C02 | C01 | N01 | H18 | 177.7° | 64.0° |
| C02 | C03 | C04 | O01 | 41.6° | 0.0° |
| C02 | C03 | C04 | H4 | 120.5° | 120.0° |
| C02 | C03 | C04 | H5 | 120.5° | 120.0° |
| C02 | C03 | C04 | N02 | 164.9° | 179.9° |
| C03 | C02 | C01 | H1 | 58.4° | 55.0° |
| C03 | C02 | H2 | H3 | 118.7° | 120.0° |
| C02 | C03 | H4 | H5 | 118.3° | 120.0° |
| C08 | S02 | O03 | F1 | 119.5° | 111.7° |
| S02 | C08 | C07 | H12 | 120.3° | 120.0° |
| S02 | C08 | C07 | H13 | 120.4° | 120.0° |
| S02 | C08 | C07 | S01 | 96.8° | 180.0° |
| S02 | C08 | C07 | H10 | 22.9° | 60.0° |
| S02 | C08 | C07 | H11 | 143.6° | 60.0° |
| S02 | C08 | H12 | H13 | 118.9° | 120.0° |
| O03 | S02 | C08 | C07 | 59.5° | 60.0° |
| O03 | S02 | C08 | H12 | 179.8° | 60.0° |
| O03 | S02 | C08 | H13 | 60.8° | 180.0° |
| O01 | C04 | C03 | N02 | 123.3° | 179.9° |
| O01 | C04 | N02 | C05 | 43.5° | 0.1° |
| O01 | C04 | C03 | H4 | 78.9° | 120.0° |
| O01 | C04 | C03 | H5 | 162.1° | 120.0° |
| O01 | C04 | N02 | H20 | 136.5° | 180.0° |
| C08 | C07 | S01 | H10 | 119.6° | 120.0° |
| C08 | C07 | S01 | H11 | 119.7° | 120.0° |
| C08 | C07 | S01 | C06 | 68.9° | 180.0° |
| C08 | C07 | H10 | H11 | 121.1° | 120.0° |
| C07 | C08 | H12 | H13 | 118.9° | 120.0° |
| C07 | C08 | S02 | F1 | 178.5° | 171.6° |
| C07 | S01 | C06 | C05 | 75.6° | 180.0° |
| C07 | S01 | C06 | H8 | 44.7° | 60.0° |
| C07 | S01 | C06 | H9 | 164.1° | 60.0° |
| S01 | C07 | H10 | H11 | 121.1° | 120.0° |
| S01 | C07 | C08 | H12 | 142.9° | 60.0° |
| S01 | C07 | C08 | H13 | 23.6° | 60.0° |
| C03 | C04 | N02 | C05 | 166.4° | 180.0° |
| C04 | C03 | C02 | H2 | 37.6° | 60.0° |
| C04 | C03 | C02 | H3 | 81.5° | 60.0° |
| C04 | C03 | H4 | H5 | 118.4° | 120.0° |
| C03 | C04 | N02 | H20 | 13.6° | 0.1° |
| C04 | N02 | C05 | H20 | 180.0° | 179.9° |
| C04 | N02 | C05 | C06 | 150.1° | 155.0° |
| C04 | N02 | C05 | C09 | 89.2° | 84.9° |
| N02 | C04 | C03 | H4 | 44.4° | 59.9° |
| N02 | C04 | C03 | H5 | 74.6° | 60.1° |
| C04 | N02 | C05 | H7 | 29.4° | 35.0° |
| S01 | C06 | C05 | N02 | 36.5° | 60.0° |
| S01 | C06 | C05 | H8 | 120.3° | 120.0° |
| S01 | C06 | C05 | H9 | 120.3° | 120.0° |
| S01 | C06 | C05 | C09 | 153.2° | 180.0° |
| S01 | C06 | C05 | H7 | 84.8° | 60.0° |
| S01 | C06 | H8 | H9 | 119.1° | 120.0° |
| C06 | S01 | C07 | H10 | 171.5° | 60.0° |
| C06 | S01 | C07 | H11 | 50.8° | 60.0° |
| N02 | C05 | C06 | C09 | 116.7° | 120.0° |
| N02 | C05 | C06 | H7 | 121.3° | 120.0° |
| N02 | C05 | C09 | H7 | 119.1° | 120.0° |
| N02 | C05 | C09 | N03 | 173.6° | 180.0° |
| N02 | C05 | C09 | O04 | 51.9° | 0.0° |
| N02 | C05 | C06 | H8 | 156.8° | 60.0° |
| N02 | C05 | C06 | H9 | 83.8° | 180.0° |
| C06 | C05 | C09 | H7 | 121.9° | 120.0° |
| C06 | C05 | C09 | N03 | 54.5° | 60.0° |
| C06 | C05 | C09 | O04 | 67.1° | 120.0° |
| C05 | C06 | H8 | H9 | 119.1° | 120.0° |
| C06 | C05 | N02 | H20 | 29.9° | 25.0° |
| C05 | C09 | N03 | O04 | 120.7° | 180.0° |
| C05 | C09 | N03 | C10 | 158.8° | 180.0° |
| C09 | C05 | C06 | H8 | 86.5° | 60.0° |
| C09 | C05 | C06 | H9 | 32.9° | 60.0° |
| C09 | C05 | N02 | H20 | 90.8° | 95.0° |
| C05 | C09 | N03 | H22 | 21.2° | 0.0° |
| C09 | N03 | C10 | H22 | 180.0° | 180.0° |
| C09 | N03 | C10 | C11 | 111.2° | 180.0° |
| N03 | C09 | C05 | H7 | 67.3° | 60.0° |
| C09 | N03 | C10 | H15 | 128.7° | 60.0° |
| C09 | N03 | C10 | H16 | 8.8° | 59.9° |
| O04 | C09 | N03 | C10 | 38.1° | 0.0° |
| O04 | C09 | C05 | H7 | 171.0° | 120.0° |
| O04 | C09 | N03 | H22 | 141.9° | 180.0° |
| N03 | C10 | C11 | O05 | 59.7° | 180.0° |
| N03 | C10 | C11 | H15 | 120.0° | 120.0° |
| N03 | C10 | C11 | H16 | 120.0° | 120.0° |
| N03 | C10 | C11 | O06 | 178.1° | 0.0° |
| N03 | C10 | H15 | H16 | 119.9° | 120.0° |
| O05 | C11 | C10 | O06 | 122.2° | 180.0° |
| O05 | C11 | C10 | H15 | 179.8° | 60.0° |
| O05 | C11 | C10 | H16 | 60.3° | 60.0° |
| C11 | C10 | H15 | H16 | 119.9° | 120.0° |
| C11 | C10 | N03 | H22 | 68.7° | 0.0° |
| C10 | C11 | O05 | H28 | 121.3° | 180.0° |
| O06 | C11 | C10 | H15 | 58.1° | 120.0° |
| O06 | C11 | C10 | H16 | 61.9° | 120.0° |
| O06 | C11 | O05 | H28 | 0.0° | 0.0° |
| H1 | C01 | C02 | H2 | 62.0° | 174.9° |
| H1 | C01 | C02 | H3 | 178.8° | 65.0° |
| H1 | C01 | N01 | H17 | 60.1° | 180.0° |
| H1 | C01 | N01 | H18 | 60.0° | 56.0° |
| H2 | C02 | C03 | H4 | 158.1° | 180.0° |
| H2 | C02 | C03 | H5 | 82.9° | 59.9° |
| H3 | C02 | C03 | H4 | 39.0° | 60.0° |
| H3 | C02 | C03 | H5 | 158.0° | 179.9° |
| H7 | C05 | C06 | H8 | 35.5° | NaN° |
| H7 | C05 | C06 | H9 | 154.9° | 60.0° |
| H7 | C05 | N02 | H20 | 150.6° | 145.1° |
| H10 | C07 | C08 | H12 | 97.5° | 60.0° |
| H10 | C07 | C08 | H13 | 143.2° | 180.0° |
| H11 | C07 | C08 | H12 | 23.2° | 179.9° |
| H11 | C07 | C08 | H13 | 96.1° | 60.1° |
| H12 | C08 | S02 | F1 | 61.2° | 51.6° |
| H13 | C08 | S02 | F1 | 58.2° | 68.3° |
| H15 | C10 | N03 | H22 | 51.3° | 120.0° |
| H16 | C10 | N03 | H22 | 171.3° | 120.0° |
