4IM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O52 | P05 | doub | 1.48Å | 1.52Å | |
| O12 | P01 | doub | 1.48Å | 1.51Å | |
| O51 | P05 | sing | 1.61Å | 1.51Å | |
| P05 | O53 | sing | 1.61Å | 1.51Å | |
| P05 | O05 | sing | 1.61Å | 1.61Å | |
| O06 | C06 | sing | 1.43Å | 1.43Å | |
| O13 | P01 | sing | 1.61Å | 1.52Å | |
| P01 | O01 | sing | 1.61Å | 1.63Å | |
| P01 | O11 | sing | 1.61Å | 1.52Å | |
| O05 | C05 | sing | 1.43Å | 1.43Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C01 | sing | 1.53Å | 1.51Å | |
| O01 | C01 | sing | 1.43Å | 1.44Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C01 | C02 | sing | 1.53Å | 1.51Å | |
| C04 | O04 | sing | 1.43Å | 1.42Å | |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | O02 | sing | 1.43Å | 1.43Å | |
| C03 | O03 | sing | 1.43Å | 1.44Å | |
| O23 | P02 | doub | 1.48Å | 1.51Å | |
| O02 | P02 | sing | 1.61Å | 1.62Å | |
| O22 | P02 | sing | 1.61Å | 1.51Å | |
| P02 | O21 | sing | 1.61Å | 1.51Å | |
| O03 | P03 | sing | 1.61Å | 1.64Å | |
| O31 | P03 | doub | 1.48Å | 1.51Å | |
| O33 | P03 | sing | 1.61Å | 1.51Å | |
| P03 | O32 | sing | 1.61Å | 1.51Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| O04 | H7 | sing | 0.97Å | 0.95Å | |
| O06 | H8 | sing | 0.97Å | 0.95Å | |
| O22 | H9 | sing | 0.97Å | 0.95Å | |
| O21 | H10 | sing | 0.97Å | 0.95Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| O13 | H12 | sing | 0.97Å | 0.95Å | |
| O51 | H13 | sing | 0.97Å | 0.95Å | |
| O53 | H14 | sing | 0.97Å | 0.95Å | |
| O33 | 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) |
| O52 | P05 | O51 | 113.0° | 109.5° |
| O52 | P05 | O53 | 113.2° | 109.5° |
| O52 | P05 | O05 | 100.3° | 109.4° |
| O12 | P01 | O13 | 114.0° | 109.5° |
| O12 | P01 | O01 | 103.1° | 109.4° |
| O12 | P01 | O11 | 113.1° | 109.5° |
| O51 | P05 | O53 | 113.5° | 109.5° |
| O51 | P05 | O05 | 112.1° | 109.5° |
| P05 | O51 | H13 | 109.5° | 114.0° |
| O53 | P05 | O05 | 103.5° | 109.5° |
| P05 | O53 | H14 | 109.5° | 114.0° |
| P05 | O05 | C05 | 140.0° | 123.0° |
| O06 | C06 | C05 | 109.1° | 109.5° |
| O06 | C06 | C01 | 111.5° | 109.5° |
| O06 | C06 | H5 | 110.8° | 109.4° |
| C06 | O06 | H8 | 109.5° | 114.0° |
| O13 | P01 | O01 | 105.6° | 109.5° |
| O13 | P01 | O11 | 112.3° | 109.5° |
| P01 | O13 | H12 | 109.5° | 114.0° |
| O01 | P01 | O11 | 107.7° | 109.5° |
| P01 | O01 | C01 | 121.9° | 123.0° |
| P01 | O11 | H11 | 109.5° | 114.0° |
| O05 | C05 | C06 | 106.8° | 109.5° |
| O05 | C05 | C04 | 109.0° | 109.5° |
| O05 | C05 | H6 | 110.3° | 109.5° |
| C05 | C06 | C01 | 106.2° | 109.5° |
| C06 | C05 | C04 | 112.7° | 109.4° |
| C05 | C06 | H5 | 109.4° | 109.5° |
| C06 | C05 | H6 | 109.0° | 109.4° |
| C06 | C01 | O01 | 111.6° | 109.5° |
| C06 | C01 | C02 | 106.9° | 109.5° |
| C06 | C01 | H4 | 108.8° | 109.5° |
| C01 | C06 | H5 | 109.7° | 109.5° |
| O01 | C01 | C02 | 111.1° | 109.5° |
| O01 | C01 | H4 | 109.6° | 109.5° |
| C05 | C04 | O04 | 109.9° | 109.5° |
| C05 | C04 | C03 | 107.3° | 109.5° |
| C05 | C04 | H1 | 109.0° | 109.5° |
| C04 | C05 | H6 | 109.0° | 109.5° |
| C01 | C02 | C03 | 108.8° | 109.5° |
| C01 | C02 | O02 | 109.9° | 109.5° |
| C01 | C02 | H3 | 109.0° | 109.5° |
| C02 | C01 | H4 | 108.8° | 109.4° |
| O04 | C04 | C03 | 110.9° | 109.4° |
| O04 | C04 | H1 | 110.5° | 109.4° |
| C04 | O04 | H7 | 109.5° | 114.0° |
| C04 | C03 | C02 | 108.8° | 109.4° |
| C04 | C03 | O03 | 111.2° | 109.5° |
| C03 | C04 | H1 | 109.2° | 109.4° |
| C04 | C03 | H2 | 108.8° | 109.4° |
| C03 | C02 | O02 | 110.1° | 109.4° |
| C02 | C03 | O03 | 109.5° | 109.5° |
| C02 | C03 | H2 | 108.8° | 109.5° |
| C03 | C02 | H3 | 109.0° | 109.5° |
| C02 | O02 | P02 | 127.7° | 122.9° |
| O02 | C02 | H3 | 110.1° | 109.5° |
| C03 | O03 | P03 | 120.7° | 123.0° |
| O03 | C03 | H2 | 109.7° | 109.5° |
| O23 | P02 | O02 | 103.0° | 109.5° |
| O23 | P02 | O22 | 113.0° | 109.5° |
| O23 | P02 | O21 | 113.3° | 109.5° |
| O02 | P02 | O22 | 104.8° | 109.4° |
| O02 | P02 | O21 | 108.6° | 109.5° |
| O22 | P02 | O21 | 113.1° | 109.5° |
| P02 | O22 | H9 | 109.5° | 114.0° |
| P02 | O21 | H10 | 109.5° | 114.0° |
| O03 | P03 | O31 | 101.8° | 109.5° |
| O03 | P03 | O33 | 109.4° | 109.4° |
| O03 | P03 | O32 | 104.3° | 109.5° |
| O31 | P03 | O33 | 112.4° | 109.5° |
| O31 | P03 | O32 | 115.1° | 109.5° |
| O33 | P03 | O32 | 112.8° | 109.5° |
| P03 | O33 | H15 | 109.5° | 114.0° |
| P03 | O32 | H16 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O52 | P05 | O51 | O53 | 130.7° | 120.0° |
| O52 | P05 | O51 | O05 | 112.5° | 119.9° |
| O52 | P05 | O53 | O05 | 107.7° | 119.9° |
| O52 | P05 | O05 | C05 | 53.4° | 55.0° |
| O52 | P05 | O51 | H13 | 0.0° | 60.0° |
| O52 | P05 | O53 | H14 | 0.0° | 180.0° |
| O12 | P01 | O13 | O01 | 112.5° | 120.0° |
| O12 | P01 | O13 | O11 | 130.4° | 120.0° |
| O12 | P01 | O01 | O11 | 119.9° | 120.0° |
| O12 | P01 | O01 | C01 | 66.2° | 55.0° |
| O12 | P01 | O11 | H11 | 0.0° | 179.9° |
| O12 | P01 | O13 | H12 | 0.0° | 60.0° |
| O51 | P05 | O53 | O05 | 121.8° | 120.0° |
| O51 | P05 | O05 | C05 | 173.6° | 175.0° |
| O51 | P05 | O53 | H14 | 130.6° | 60.0° |
| O53 | P05 | O05 | C05 | 63.7° | 65.0° |
| O53 | P05 | O51 | H13 | 130.7° | 60.0° |
| P05 | O05 | C05 | C06 | 91.0° | 120.0° |
| P05 | O05 | C05 | C04 | 147.0° | 120.0° |
| P05 | O05 | C05 | H6 | 27.3° | 0.0° |
| O05 | P05 | O51 | H13 | 112.5° | 180.0° |
| O05 | P05 | O53 | H14 | 107.7° | 60.0° |
| O06 | C06 | C05 | O05 | 58.7° | 60.0° |
| O06 | C06 | C05 | C01 | 120.2° | 120.0° |
| O06 | C06 | C05 | H5 | 121.4° | 119.9° |
| O06 | C06 | C01 | H5 | 123.2° | 119.9° |
| O06 | C06 | C01 | O01 | 56.0° | 60.0° |
| O06 | C06 | C05 | C04 | 178.3° | 180.0° |
| O06 | C06 | C01 | C02 | 177.6° | 180.0° |
| O06 | C06 | C01 | H4 | 65.1° | 60.1° |
| O06 | C06 | C05 | H6 | 60.4° | 60.0° |
| O13 | P01 | O01 | O11 | 120.2° | 120.0° |
| O13 | P01 | O01 | C01 | 173.9° | 175.0° |
| O13 | P01 | O11 | H11 | 130.9° | 60.1° |
| P01 | O01 | C01 | C06 | 120.1° | 120.0° |
| P01 | O01 | C01 | C02 | 120.7° | 120.0° |
| P01 | O01 | C01 | H4 | 0.5° | 0.1° |
| O01 | P01 | O11 | H11 | 113.3° | 59.9° |
| O01 | P01 | O13 | H12 | 112.5° | 179.9° |
| O11 | P01 | O01 | C01 | 53.7° | 65.0° |
| O11 | P01 | O13 | H12 | 130.4° | 60.0° |
| O05 | C05 | C06 | C04 | 119.7° | 120.0° |
| O05 | C05 | C06 | H6 | 119.1° | 120.0° |
| O05 | C05 | C06 | C01 | 178.9° | 180.0° |
| O05 | C05 | C04 | H6 | 120.5° | 120.0° |
| O05 | C05 | C04 | O04 | 62.7° | 60.0° |
| O05 | C05 | C04 | C03 | 176.6° | 180.0° |
| O05 | C05 | C04 | H1 | 58.5° | 60.0° |
| O05 | C05 | C06 | H5 | 62.7° | 60.0° |
| C05 | C06 | C01 | H5 | 118.2° | 120.0° |
| C05 | C06 | C01 | O01 | 174.6° | 180.0° |
| C06 | C05 | C04 | H6 | 121.2° | 119.9° |
| C05 | C06 | C01 | C02 | 63.7° | 60.0° |
| C06 | C05 | C04 | O04 | 179.0° | 180.0° |
| C06 | C05 | C04 | C03 | 58.3° | 60.0° |
| C06 | C05 | C04 | H1 | 59.9° | 60.0° |
| C05 | C06 | C01 | H4 | 53.6° | 60.0° |
| C05 | C06 | O06 | H8 | 30.7° | 60.0° |
| C06 | C01 | O01 | C02 | 119.2° | 120.0° |
| C06 | C01 | O01 | H4 | 120.6° | 120.0° |
| C01 | C06 | C05 | C04 | 61.4° | 60.0° |
| C06 | C01 | C02 | H4 | 117.3° | 120.0° |
| C06 | C01 | C02 | C03 | 67.6° | 60.0° |
| C06 | C01 | C02 | O02 | 171.8° | 180.0° |
| C06 | C01 | C02 | H3 | 51.1° | 60.1° |
| C01 | C06 | C05 | H6 | 59.8° | 60.0° |
| C01 | C06 | O06 | H8 | 147.6° | 180.0° |
| O01 | C01 | C02 | H4 | 120.7° | 120.0° |
| O01 | C01 | C02 | C03 | 170.4° | 179.9° |
| O01 | C01 | C02 | O02 | 49.8° | 60.0° |
| O01 | C01 | C02 | H3 | 70.9° | 60.0° |
| O01 | C01 | C06 | H5 | 67.2° | 60.0° |
| C05 | C04 | O04 | C03 | 118.5° | 120.0° |
| C05 | C04 | O04 | H1 | 120.3° | 120.0° |
| C05 | C04 | C03 | H1 | 118.0° | 120.0° |
| C05 | C04 | C03 | C02 | 57.9° | 60.0° |
| C05 | C04 | C03 | O03 | 178.6° | 180.0° |
| C05 | C04 | C03 | H2 | 60.4° | 60.0° |
| C04 | C05 | C06 | H5 | 56.9° | 60.1° |
| C05 | C04 | O04 | H7 | 129.4° | 59.9° |
| C01 | C02 | C03 | C04 | 64.8° | 60.0° |
| C01 | C02 | C03 | O02 | 120.4° | 120.0° |
| C01 | C02 | C03 | H3 | 118.8° | 120.0° |
| C01 | C02 | O02 | H3 | 120.1° | 120.0° |
| C01 | C02 | C03 | O03 | 173.5° | 180.0° |
| C01 | C02 | O02 | P02 | 108.8° | 120.0° |
| C01 | C02 | C03 | H2 | 53.6° | 60.0° |
| C02 | C01 | C06 | H5 | 54.5° | 60.1° |
| O04 | C04 | C03 | H1 | 121.9° | 119.9° |
| O04 | C04 | C03 | C02 | 177.9° | 179.9° |
| O04 | C04 | C03 | O03 | 61.4° | 60.0° |
| O04 | C04 | C03 | H2 | 59.6° | 60.1° |
| O04 | C04 | C05 | H6 | 57.8° | 60.1° |
| C04 | C03 | C02 | O03 | 121.7° | 120.0° |
| C04 | C03 | C02 | H2 | 118.4° | 119.9° |
| C04 | C03 | C02 | O02 | 174.8° | 180.0° |
| C04 | C03 | O03 | H2 | 120.4° | 120.0° |
| C04 | C03 | O03 | P03 | 110.2° | 120.0° |
| C04 | C03 | C02 | H3 | 54.0° | 60.0° |
| C03 | C04 | C05 | H6 | 62.9° | 59.9° |
| C03 | C04 | O04 | H7 | 10.8° | 180.0° |
| C03 | C02 | O02 | H3 | 120.1° | 120.0° |
| C02 | C03 | O03 | H2 | 119.3° | 120.1° |
| C03 | C02 | O02 | P02 | 131.4° | 120.0° |
| C02 | C03 | O03 | P03 | 129.6° | 120.0° |
| C02 | C03 | C04 | H1 | 60.1° | 60.0° |
| C03 | C02 | C01 | H4 | 49.7° | 60.0° |
| O02 | C02 | C03 | O03 | 53.1° | 60.1° |
| C02 | O02 | P02 | O23 | 122.3° | 55.0° |
| C02 | O02 | P02 | O22 | 3.9° | 175.0° |
| C02 | O02 | P02 | O21 | 117.3° | 65.0° |
| O02 | C02 | C03 | H2 | 66.8° | 60.0° |
| O02 | C02 | C01 | H4 | 70.9° | 60.0° |
| C03 | O03 | P03 | O31 | 60.4° | 55.0° |
| C03 | O03 | P03 | O33 | 58.6° | 175.0° |
| C03 | O03 | P03 | O32 | 179.5° | 65.0° |
| O03 | C03 | C04 | H1 | 60.6° | 59.9° |
| O03 | C03 | C02 | H3 | 67.7° | 59.9° |
| O23 | P02 | O02 | O22 | 118.4° | 120.0° |
| O23 | P02 | O02 | O21 | 120.4° | 120.0° |
| O23 | P02 | O22 | O21 | 130.4° | 120.0° |
| O23 | P02 | O22 | H9 | 0.0° | 60.0° |
| O23 | P02 | O21 | H10 | 0.0° | 180.0° |
| O02 | P02 | O22 | O21 | 118.2° | 120.0° |
| P02 | O02 | C02 | H3 | 11.3° | 0.0° |
| O02 | P02 | O22 | H9 | 111.4° | 179.9° |
| O02 | P02 | O21 | H10 | 113.8° | 60.0° |
| O22 | P02 | O21 | H10 | 130.2° | 60.0° |
| O21 | P02 | O22 | H9 | 130.4° | 60.0° |
| O03 | P03 | O31 | O33 | 116.9° | 120.0° |
| O03 | P03 | O31 | O32 | 112.1° | 120.0° |
| O03 | P03 | O33 | O32 | 115.6° | 120.0° |
| P03 | O03 | C03 | H2 | 10.2° | 0.0° |
| O03 | P03 | O33 | H15 | 112.2° | 180.0° |
| O03 | P03 | O32 | H16 | 110.6° | 60.0° |
| O31 | P03 | O33 | O32 | 132.2° | 120.0° |
| O31 | P03 | O33 | H15 | 0.0° | 60.0° |
| O31 | P03 | O32 | H16 | 0.0° | 180.0° |
| O33 | P03 | O32 | H16 | 130.8° | 60.0° |
| O32 | P03 | O33 | H15 | 132.2° | 60.0° |
| H1 | C04 | C03 | H2 | 178.5° | 180.0° |
| H1 | C04 | C05 | H6 | 179.0° | 180.0° |
| H1 | C04 | O04 | H7 | 110.3° | 60.1° |
| H2 | C03 | C02 | H3 | 172.4° | 180.0° |
| H3 | C02 | C01 | H4 | 168.4° | 179.9° |
| H4 | C01 | C06 | H5 | 171.7° | 180.0° |
| H5 | C06 | C05 | H6 | 178.1° | 180.0° |
| H5 | C06 | O06 | H8 | 89.9° | 60.0° |
