A1FGS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C21 | sing | 1.43Å | 1.48Å | |
| C22 | C21 | sing | 1.55Å | 1.49Å | |
| C22 | C24 | sing | 1.55Å | 1.59Å | |
| C21 | C23 | sing | 1.54Å | 1.36Å | |
| O08 | C26 | doub | 1.22Å | 1.40Å | |
| C24 | O04 | sing | 1.44Å | 1.30Å | |
| C24 | N19 | sing | 1.46Å | 1.47Å | |
| O04 | C23 | sing | 1.44Å | 1.60Å | |
| C23 | C25 | sing | 1.53Å | 1.50Å | |
| C26 | N19 | sing | 1.35Å | 1.31Å | |
| C26 | N20 | sing | 1.33Å | 1.31Å | |
| N19 | C27 | sing | 1.36Å | 1.31Å | |
| N20 | C29 | doub | 1.32Å | 1.32Å | |
| C27 | C28 | doub | 1.36Å | 1.39Å | |
| O07 | C25 | sing | 1.43Å | 1.45Å | |
| O07 | P01 | sing | 1.61Å | 1.65Å | |
| O14 | P02 | doub | 1.48Å | 1.51Å | |
| C29 | C28 | sing | 1.41Å | 1.37Å | |
| C29 | O12 | sing | 1.35Å | 1.41Å | |
| O09 | P01 | sing | 1.61Å | 1.62Å | |
| O09 | P02 | sing | 1.61Å | 1.67Å | |
| O10 | P01 | doub | 1.48Å | 1.46Å | |
| P01 | O11 | sing | 1.61Å | 1.51Å | |
| P02 | O15 | sing | 1.61Å | 1.47Å | |
| P02 | O13 | sing | 1.61Å | 1.69Å | |
| O12 | P30 | sing | 1.61Å | 1.63Å | |
| O33 | P30 | doub | 1.48Å | 1.55Å | |
| O13 | P03 | sing | 1.61Å | 1.66Å | |
| P30 | O32 | sing | 1.61Å | 1.53Å | |
| P30 | O31 | sing | 1.61Å | 1.50Å | |
| O17 | P03 | doub | 1.48Å | 1.49Å | |
| P03 | O18 | sing | 1.61Å | 1.49Å | |
| P03 | O16 | sing | 1.61Å | 1.48Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.08Å | 1.08Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| O05 | H10 | sing | 0.97Å | 0.95Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| O15 | H12 | sing | 0.97Å | 0.95Å | |
| O16 | H13 | sing | 0.97Å | 0.95Å | |
| O18 | H14 | sing | 0.97Å | 0.95Å | |
| O31 | H15 | sing | 0.97Å | 0.95Å | |
| O32 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C21 | C22 | 110.2° | 110.6° |
| O05 | C21 | C23 | 109.2° | 110.5° |
| O05 | C21 | H1 | 110.3° | 110.5° |
| C21 | O05 | H10 | 109.5° | 114.0° |
| C21 | C22 | C24 | 104.0° | 102.2° |
| C22 | C21 | C23 | 104.4° | 104.2° |
| C22 | C21 | H1 | 110.2° | 110.5° |
| C21 | C22 | H2 | 110.8° | 110.9° |
| C21 | C22 | H3 | 110.8° | 110.9° |
| C22 | C24 | O04 | 106.5° | 103.5° |
| C22 | C24 | N19 | 111.2° | 110.6° |
| C24 | C22 | H2 | 110.8° | 110.9° |
| C24 | C22 | H3 | 110.8° | 110.9° |
| C22 | C24 | H4 | 107.8° | 110.7° |
| C21 | C23 | O04 | 106.0° | 107.3° |
| C21 | C23 | C25 | 110.1° | 109.9° |
| C23 | C21 | H1 | 112.4° | 110.5° |
| C21 | C23 | H6 | 111.9° | 109.9° |
| O08 | C26 | N19 | 119.2° | 119.5° |
| O08 | C26 | N20 | 119.3° | 119.5° |
| O04 | C24 | N19 | 110.1° | 110.6° |
| C24 | O04 | C23 | 108.1° | 107.0° |
| O04 | C24 | H4 | 111.9° | 110.6° |
| C24 | N19 | C26 | 119.1° | 119.9° |
| C24 | N19 | C27 | 120.1° | 119.8° |
| N19 | C24 | H4 | 109.3° | 110.7° |
| O04 | C23 | C25 | 110.6° | 109.9° |
| O04 | C23 | H6 | 108.4° | 110.0° |
| C23 | C25 | O07 | 108.3° | 109.5° |
| C25 | C23 | H6 | 109.7° | 109.9° |
| C23 | C25 | H7 | 109.7° | 109.5° |
| C23 | C25 | H8 | 109.8° | 109.5° |
| N19 | C26 | N20 | 121.5° | 121.0° |
| C26 | N19 | C27 | 120.8° | 120.3° |
| C26 | N20 | C29 | 120.3° | 120.7° |
| N19 | C27 | C28 | 120.1° | 119.2° |
| N19 | C27 | H9 | 120.0° | 120.4° |
| N20 | C29 | C28 | 120.5° | 119.7° |
| N20 | C29 | O12 | 118.8° | 120.2° |
| C27 | C28 | C29 | 116.9° | 119.0° |
| C27 | C28 | H5 | 121.6° | 120.5° |
| C28 | C27 | H9 | 119.9° | 120.4° |
| C25 | O07 | P01 | 118.6° | 123.0° |
| O07 | C25 | H7 | 109.8° | 109.5° |
| O07 | C25 | H8 | 109.8° | 109.5° |
| O07 | P01 | O09 | 109.7° | 109.5° |
| O07 | P01 | O10 | 108.9° | 109.4° |
| O07 | P01 | O11 | 110.0° | 109.5° |
| O14 | P02 | O09 | 109.2° | 109.5° |
| O14 | P02 | O15 | 109.6° | 109.5° |
| O14 | P02 | O13 | 109.4° | 109.4° |
| C28 | C29 | O12 | 120.7° | 120.1° |
| C29 | C28 | H5 | 121.6° | 120.5° |
| C29 | O12 | P30 | 120.9° | 113.9° |
| P01 | O09 | P02 | 124.5° | 134.0° |
| O09 | P01 | O10 | 108.7° | 109.5° |
| O09 | P01 | O11 | 109.9° | 109.5° |
| O09 | P02 | O15 | 109.9° | 109.5° |
| O09 | P02 | O13 | 109.4° | 109.5° |
| O10 | P01 | O11 | 109.5° | 109.5° |
| P01 | O11 | H11 | 109.5° | 114.0° |
| O15 | P02 | O13 | 109.2° | 109.4° |
| P02 | O15 | H12 | 109.5° | 114.0° |
| P02 | O13 | P03 | 122.9° | 134.0° |
| O12 | P30 | O33 | 110.1° | 109.5° |
| O12 | P30 | O32 | 108.5° | 109.5° |
| O12 | P30 | O31 | 110.4° | 109.5° |
| O33 | P30 | O32 | 109.3° | 109.5° |
| O33 | P30 | O31 | 110.0° | 109.5° |
| O13 | P03 | O17 | 109.4° | 109.4° |
| O13 | P03 | O18 | 109.2° | 109.5° |
| O13 | P03 | O16 | 109.7° | 109.5° |
| O32 | P30 | O31 | 108.5° | 109.4° |
| P30 | O32 | H16 | 109.5° | 114.0° |
| P30 | O31 | H15 | 109.5° | 114.0° |
| O17 | P03 | O18 | 109.7° | 109.4° |
| O17 | P03 | O16 | 109.9° | 109.5° |
| O18 | P03 | O16 | 109.0° | 109.5° |
| P03 | O18 | H14 | 109.5° | 113.9° |
| P03 | O16 | H13 | 109.5° | 114.0° |
| H2 | C22 | H3 | 109.5° | 110.8° |
| H7 | C25 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C21 | C22 | C23 | 117.1° | 118.7° |
| O05 | C21 | C22 | H1 | 122.0° | 122.6° |
| O05 | C21 | C22 | C24 | 85.2° | 97.8° |
| O05 | C21 | C23 | H1 | 122.8° | 122.5° |
| O05 | C21 | C23 | O04 | 85.6° | 120.8° |
| O05 | C21 | C23 | C25 | 154.7° | 119.7° |
| O05 | C21 | C22 | H2 | 155.7° | 143.9° |
| O05 | C21 | C22 | H3 | 33.9° | 20.4° |
| O05 | C21 | C23 | H6 | 32.5° | 1.3° |
| C21 | C22 | C24 | H2 | 119.1° | 118.3° |
| C21 | C22 | C24 | H3 | 119.2° | 118.2° |
| C22 | C21 | C23 | H1 | 119.4° | 118.7° |
| C21 | C22 | C24 | O04 | 18.5° | 37.0° |
| C21 | C22 | C24 | N19 | 138.4° | 155.5° |
| C22 | C21 | C23 | O04 | 32.2° | 2.0° |
| C22 | C21 | C23 | C25 | 87.5° | 121.5° |
| C21 | C22 | H2 | H3 | 122.6° | 123.6° |
| C21 | C22 | C24 | H4 | 101.8° | 81.4° |
| C22 | C21 | C23 | H6 | 150.3° | 117.5° |
| C22 | C21 | O05 | H10 | 180.0° | 65.2° |
| C24 | C22 | C21 | C23 | 31.9° | 20.9° |
| C22 | C24 | O04 | N19 | 120.6° | 118.5° |
| C22 | C24 | O04 | H4 | 117.6° | 118.5° |
| C22 | C24 | N19 | H4 | 118.9° | 123.1° |
| C22 | C24 | O04 | C23 | 0.4° | 40.1° |
| C22 | C24 | N19 | C26 | 143.7° | 64.9° |
| C22 | C24 | N19 | C27 | 36.6° | 115.0° |
| C24 | C22 | C21 | H1 | 152.8° | 139.6° |
| C24 | C22 | H2 | H3 | 122.5° | 123.6° |
| C21 | C23 | O04 | C24 | 21.4° | 26.5° |
| C21 | C23 | O04 | C25 | 119.3° | 119.4° |
| C21 | C23 | O04 | H6 | 120.3° | 119.5° |
| C21 | C23 | C25 | H6 | 123.5° | 121.0° |
| C21 | C23 | C25 | O07 | 29.6° | 175.0° |
| C23 | C21 | C22 | H2 | 87.2° | 97.4° |
| C23 | C21 | C22 | H3 | 151.1° | 139.1° |
| C21 | C23 | C25 | H7 | 90.3° | 55.0° |
| C21 | C23 | C25 | H8 | 149.4° | 65.0° |
| C23 | C21 | O05 | H10 | 65.9° | 180.0° |
| O08 | C26 | N19 | C24 | 0.2° | 0.4° |
| O08 | C26 | N19 | N20 | 179.9° | 179.7° |
| O08 | C26 | N19 | C27 | 179.9° | 179.7° |
| O08 | C26 | N20 | C29 | 179.9° | 179.7° |
| O04 | C24 | N19 | H4 | 123.3° | 122.9° |
| C24 | O04 | C23 | C25 | 97.9° | 146.0° |
| O04 | C24 | N19 | C26 | 98.5° | 49.1° |
| O04 | C24 | N19 | C27 | 81.2° | 131.0° |
| O04 | C24 | C22 | H2 | 100.7° | 81.2° |
| O04 | C24 | C22 | H3 | 137.6° | 155.3° |
| C24 | O04 | C23 | H6 | 141.7° | 92.9° |
| N19 | C24 | O04 | C23 | 120.2° | 158.6° |
| C24 | N19 | C26 | C27 | 179.7° | 179.9° |
| C24 | N19 | C26 | N20 | 179.8° | 180.0° |
| C24 | N19 | C27 | C28 | 179.8° | 180.0° |
| N19 | C24 | C22 | H2 | 19.3° | 37.2° |
| N19 | C24 | C22 | H3 | 102.4° | 86.3° |
| C24 | N19 | C27 | H9 | 0.2° | 0.0° |
| O04 | C23 | C25 | H6 | 119.6° | 121.2° |
| O04 | C23 | C25 | O07 | 146.4° | 67.2° |
| O04 | C23 | C21 | H1 | 151.6° | 116.6° |
| C23 | O04 | C24 | H4 | 118.0° | 78.4° |
| O04 | C23 | C25 | H7 | 26.6° | 172.8° |
| O04 | C23 | C25 | H8 | 93.8° | 52.8° |
| C23 | C25 | O07 | H7 | 119.8° | 120.1° |
| C23 | C25 | O07 | H8 | 119.8° | 120.0° |
| C23 | C25 | O07 | P01 | 164.6° | 180.0° |
| C25 | C23 | C21 | H1 | 31.9° | 2.8° |
| C23 | C25 | H7 | H8 | 120.6° | 120.0° |
| N19 | C26 | N20 | C29 | 0.1° | 0.1° |
| C26 | N19 | C27 | C28 | 0.1° | 0.0° |
| C26 | N19 | C24 | H4 | 24.8° | 172.0° |
| C26 | N19 | C27 | H9 | 179.9° | 180.0° |
| N20 | C26 | N19 | C27 | 0.1° | 0.1° |
| C26 | N20 | C29 | C28 | 0.2° | 0.1° |
| C26 | N20 | C29 | O12 | 179.9° | 180.0° |
| N19 | C27 | C28 | H9 | 180.0° | 180.0° |
| N19 | C27 | C28 | C29 | 0.0° | 0.0° |
| C27 | N19 | C24 | H4 | 155.5° | 8.0° |
| N19 | C27 | C28 | H5 | 180.0° | 180.0° |
| N20 | C29 | C28 | C27 | 0.2° | 0.1° |
| N20 | C29 | C28 | O12 | 179.7° | 179.9° |
| N20 | C29 | O12 | P30 | 173.7° | 0.1° |
| N20 | C29 | C28 | H5 | 179.8° | 180.0° |
| C27 | C28 | C29 | H5 | 180.0° | 179.9° |
| C27 | C28 | C29 | O12 | 179.9° | 180.0° |
| C25 | O07 | P01 | O09 | 163.3° | 175.0° |
| C25 | O07 | P01 | O10 | 77.8° | 55.0° |
| C25 | O07 | P01 | O11 | 42.3° | 65.0° |
| O07 | C25 | C23 | H6 | 94.0° | 54.0° |
| O07 | C25 | H7 | H8 | 120.6° | 120.0° |
| O07 | P01 | O09 | O10 | 119.0° | 120.0° |
| O07 | P01 | O09 | O11 | 121.1° | 120.0° |
| O07 | P01 | O09 | P02 | 80.3° | 165.0° |
| O07 | P01 | O10 | O11 | 120.3° | 120.0° |
| P01 | O07 | C25 | H7 | 44.8° | 59.9° |
| P01 | O07 | C25 | H8 | 75.6° | 60.0° |
| O07 | P01 | O11 | H11 | 119.6° | 60.0° |
| O14 | P02 | O09 | P01 | 112.0° | 45.0° |
| O14 | P02 | O09 | O15 | 120.3° | 120.0° |
| O14 | P02 | O09 | O13 | 119.8° | 120.0° |
| O14 | P02 | O15 | O13 | 119.9° | 120.0° |
| O14 | P02 | O13 | P03 | 171.0° | 40.0° |
| O14 | P02 | O15 | H12 | 0.0° | 180.0° |
| C28 | C29 | O12 | P30 | 6.6° | 179.9° |
| C29 | C28 | C27 | H9 | 180.0° | 180.0° |
| C29 | O12 | P30 | O33 | 58.1° | 55.0° |
| C29 | O12 | P30 | O32 | 177.6° | 175.0° |
| C29 | O12 | P30 | O31 | 63.6° | 65.0° |
| O12 | C29 | C28 | H5 | 0.2° | 0.1° |
| O09 | P01 | O10 | O11 | 120.1° | 120.0° |
| P01 | O09 | P02 | O15 | 8.2° | 75.1° |
| P01 | O09 | P02 | O13 | 128.2° | 165.0° |
| O09 | P01 | O11 | H11 | 119.4° | 60.0° |
| P02 | O09 | P01 | O10 | 160.6° | 45.1° |
| P02 | O09 | P01 | O11 | 40.8° | 75.0° |
| O09 | P02 | O15 | O13 | 120.1° | 120.0° |
| O09 | P02 | O13 | P03 | 69.4° | 160.0° |
| O09 | P02 | O15 | H12 | 120.1° | 60.0° |
| O10 | P01 | O11 | H11 | 0.0° | 179.9° |
| O15 | P02 | O13 | P03 | 51.0° | 80.0° |
| P02 | O13 | P03 | O17 | 99.8° | 45.0° |
| P02 | O13 | P03 | O18 | 20.2° | 165.0° |
| P02 | O13 | P03 | O16 | 139.6° | 75.0° |
| O13 | P02 | O15 | H12 | 119.9° | 60.0° |
| O12 | P30 | O33 | O32 | 119.1° | 120.0° |
| O12 | P30 | O33 | O31 | 121.9° | 120.1° |
| O12 | P30 | O32 | O31 | 120.0° | 120.0° |
| O12 | P30 | O31 | H15 | 121.8° | 60.0° |
| O12 | P30 | O32 | H16 | 120.1° | 180.0° |
| O33 | P30 | O32 | O31 | 120.0° | 120.0° |
| O33 | P30 | O31 | H15 | 0.0° | 180.0° |
| O33 | P30 | O32 | H16 | 0.0° | 60.0° |
| O13 | P03 | O17 | O18 | 119.7° | 120.0° |
| O13 | P03 | O17 | O16 | 120.4° | 120.0° |
| O13 | P03 | O18 | O16 | 119.8° | 120.0° |
| O13 | P03 | O16 | H13 | 120.2° | 60.0° |
| O13 | P03 | O18 | H14 | 119.8° | 180.0° |
| O32 | P30 | O31 | H15 | 119.5° | 60.0° |
| O31 | P30 | O32 | H16 | 119.9° | 60.0° |
| O17 | P03 | O18 | O16 | 120.3° | 120.0° |
| O17 | P03 | O16 | H13 | 0.0° | 180.0° |
| O17 | P03 | O18 | H14 | 0.0° | 60.0° |
| O18 | P03 | O16 | H13 | 120.2° | 60.0° |
| O16 | P03 | O18 | H14 | 120.4° | 60.0° |
| H1 | C21 | C22 | H2 | 33.7° | 21.3° |
| H1 | C21 | C22 | H3 | 88.1° | 102.2° |
| H1 | C21 | C23 | H6 | 90.3° | 123.8° |
| H1 | C21 | O05 | H10 | 58.1° | 57.5° |
| H2 | C22 | C24 | H4 | 139.1° | 160.3° |
| H3 | C22 | C24 | H4 | 17.3° | 36.8° |
| H5 | C28 | C27 | H9 | 0.0° | 0.0° |
| H6 | C23 | C25 | H7 | 146.2° | 66.0° |
| H6 | C23 | C25 | H8 | 25.8° | 174.0° |
