A1JCV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | C05 | sing | 1.43Å | 1.42Å | |
| O04 | C03 | sing | 1.43Å | 1.44Å | |
| C05 | C03 | sing | 1.53Å | 1.52Å | |
| C05 | C07 | sing | 1.53Å | 1.55Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C07 | N08 | sing | 1.47Å | 1.47Å | |
| C02 | O01 | sing | 1.43Å | 1.37Å | |
| C02 | C09 | sing | 1.53Å | 1.55Å | |
| N08 | C09 | sing | 1.47Å | 1.48Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | O11 | sing | 1.43Å | 1.41Å | |
| O11 | P12 | sing | 1.61Å | 1.71Å | |
| O14 | P12 | doub | 1.48Å | 1.46Å | |
| P12 | O13 | sing | 1.61Å | 1.44Å | |
| P12 | O15 | sing | 1.61Å | 1.45Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| O13 | H3 | sing | 0.97Å | 0.95Å | |
| O15 | H4 | sing | 0.97Å | 0.95Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| N08 | H6 | sing | 1.01Å | 1.00Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| O06 | H11 | sing | 0.97Å | 0.95Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| O04 | H13 | sing | 0.97Å | 0.95Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| O01 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | C05 | C03 | 110.5° | 109.5° |
| O06 | C05 | C07 | 109.2° | 109.5° |
| O06 | C05 | H10 | 110.8° | 109.5° |
| C05 | O06 | H11 | 109.5° | 114.1° |
| O04 | C03 | C05 | 115.5° | 109.5° |
| O04 | C03 | C02 | 104.7° | 109.5° |
| O04 | C03 | H12 | 111.3° | 109.6° |
| C03 | O04 | H13 | 109.5° | 114.0° |
| C03 | C05 | C07 | 108.0° | 109.2° |
| C05 | C03 | C02 | 104.8° | 109.2° |
| C03 | C05 | H10 | 109.4° | 109.5° |
| C05 | C03 | H12 | 110.0° | 109.5° |
| C05 | C07 | N08 | 109.3° | 109.5° |
| C05 | C07 | H8 | 109.5° | 109.4° |
| C05 | C07 | H9 | 109.5° | 109.4° |
| C07 | C05 | H10 | 108.9° | 109.5° |
| C03 | C02 | O01 | 102.2° | 109.5° |
| C03 | C02 | C09 | 111.6° | 109.3° |
| C02 | C03 | H12 | 110.1° | 109.5° |
| C03 | C02 | H14 | 107.8° | 109.5° |
| C07 | N08 | C09 | 110.0° | 111.2° |
| C07 | N08 | H6 | 109.3° | 111.0° |
| N08 | C07 | H8 | 109.5° | 109.5° |
| N08 | C07 | H9 | 109.5° | 109.5° |
| O01 | C02 | C09 | 117.7° | 109.5° |
| O01 | C02 | H14 | 109.9° | 109.5° |
| C02 | O01 | H15 | 109.5° | 114.0° |
| C02 | C09 | N08 | 110.4° | 109.5° |
| C02 | C09 | C10 | 110.8° | 109.5° |
| C02 | C09 | H5 | 107.8° | 109.5° |
| C09 | C02 | H14 | 107.3° | 109.5° |
| N08 | C09 | C10 | 111.3° | 109.5° |
| N08 | C09 | H5 | 108.6° | 109.4° |
| C09 | N08 | H6 | 109.3° | 111.0° |
| C09 | C10 | O11 | 111.6° | 109.5° |
| C09 | C10 | H1 | 108.9° | 109.4° |
| C09 | C10 | H2 | 109.0° | 109.4° |
| C10 | C09 | H5 | 108.0° | 109.4° |
| C10 | O11 | P12 | 121.6° | 123.0° |
| O11 | C10 | H1 | 109.0° | 109.5° |
| O11 | C10 | H2 | 108.9° | 109.5° |
| O11 | P12 | O14 | 95.8° | 109.5° |
| O11 | P12 | O13 | 101.2° | 109.5° |
| O11 | P12 | O15 | 102.7° | 109.4° |
| O14 | P12 | O13 | 118.6° | 109.5° |
| O14 | P12 | O15 | 117.7° | 109.5° |
| O13 | P12 | O15 | 115.0° | 109.4° |
| P12 | O13 | H3 | 109.5° | 114.1° |
| P12 | O15 | H4 | 109.5° | 114.1° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H8 | C07 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C05 | C03 | O04 | 61.9° | 62.5° |
| O06 | C05 | C03 | C07 | 119.4° | 119.9° |
| O06 | C05 | C03 | H10 | 122.2° | 120.1° |
| O06 | C05 | C07 | H10 | 121.1° | 120.1° |
| O06 | C05 | C03 | C02 | 176.5° | 177.6° |
| O06 | C05 | C07 | N08 | 173.3° | 179.1° |
| O06 | C05 | C07 | H8 | 53.3° | 59.1° |
| O06 | C05 | C07 | H9 | 66.7° | 60.9° |
| O06 | C05 | C03 | H12 | 65.1° | 57.6° |
| O04 | C03 | C05 | C02 | 114.7° | 119.9° |
| O04 | C03 | C05 | H12 | 127.0° | 120.2° |
| O04 | C03 | C05 | C07 | 178.8° | 177.6° |
| O04 | C03 | C02 | H12 | 119.7° | 120.2° |
| O04 | C03 | C02 | O01 | 50.7° | 62.5° |
| O04 | C03 | C02 | C09 | 177.4° | 177.6° |
| O04 | C03 | C05 | H10 | 60.3° | 57.6° |
| O04 | C03 | C02 | H14 | 65.0° | 57.6° |
| C03 | C05 | C07 | H10 | 118.7° | 119.9° |
| C05 | C03 | C02 | H12 | 118.3° | 119.9° |
| C03 | C05 | C07 | N08 | 66.5° | 59.2° |
| C05 | C03 | C02 | O01 | 172.7° | 177.6° |
| C05 | C03 | C02 | C09 | 60.6° | 57.7° |
| C03 | C05 | C07 | H8 | 173.5° | 60.8° |
| C03 | C05 | C07 | H9 | 53.5° | 179.2° |
| C03 | C05 | O06 | H11 | 180.0° | 180.0° |
| C05 | C03 | O04 | H13 | 180.0° | 60.0° |
| C05 | C03 | C02 | H14 | 57.0° | 62.3° |
| C07 | C05 | C03 | C02 | 64.1° | 57.7° |
| C05 | C07 | N08 | H8 | 120.0° | 120.0° |
| C05 | C07 | N08 | H9 | 120.0° | 120.0° |
| C05 | C07 | N08 | C09 | 60.9° | 61.7° |
| C05 | C07 | N08 | H6 | 59.1° | 62.3° |
| C05 | C07 | H8 | H9 | 120.1° | 119.9° |
| C07 | C05 | O06 | H11 | 61.4° | 60.2° |
| C07 | C05 | C03 | H12 | 54.2° | 62.3° |
| C03 | C02 | O01 | C09 | 122.6° | 119.8° |
| C03 | C02 | O01 | H14 | 114.2° | 120.1° |
| C03 | C02 | C09 | H14 | 117.9° | 119.9° |
| C03 | C02 | C09 | N08 | 57.3° | 59.2° |
| C03 | C02 | C09 | C10 | 179.1° | 179.2° |
| C03 | C02 | C09 | H5 | 61.2° | 60.8° |
| C02 | C03 | C05 | H10 | 54.3° | 62.3° |
| C02 | C03 | O04 | H13 | 65.3° | 179.7° |
| C03 | C02 | O01 | H15 | 180.0° | 60.0° |
| C07 | N08 | C09 | C02 | 55.9° | 61.7° |
| C07 | N08 | C09 | H6 | 120.1° | 124.1° |
| C07 | N08 | C09 | C10 | 179.2° | 178.2° |
| C07 | N08 | C09 | H5 | 62.1° | 58.3° |
| N08 | C07 | H8 | H9 | 120.1° | 120.0° |
| N08 | C07 | C05 | H10 | 52.2° | 60.7° |
| O01 | C02 | C09 | H14 | 124.5° | 120.1° |
| O01 | C02 | C09 | N08 | 175.0° | 179.1° |
| O01 | C02 | C09 | C10 | 61.4° | 60.9° |
| O01 | C02 | C09 | H5 | 56.5° | 59.1° |
| O01 | C02 | C03 | H12 | 69.0° | 57.7° |
| C02 | C09 | N08 | C10 | 123.4° | 120.0° |
| C02 | C09 | N08 | H5 | 117.9° | 120.0° |
| C02 | C09 | C10 | H5 | 117.8° | 120.0° |
| C02 | C09 | C10 | O11 | 78.0° | 175.0° |
| C02 | C09 | C10 | H1 | 161.6° | 65.0° |
| C02 | C09 | C10 | H2 | 42.3° | 55.0° |
| C02 | C09 | N08 | H6 | 64.2° | 62.4° |
| C09 | C02 | C03 | H12 | 57.7° | 62.3° |
| C09 | C02 | O01 | H15 | 57.4° | 179.8° |
| N08 | C09 | C10 | H5 | 119.1° | 119.9° |
| N08 | C09 | C10 | O11 | 45.1° | 65.0° |
| N08 | C09 | C10 | H1 | 75.2° | 55.0° |
| N08 | C09 | C10 | H2 | 165.4° | 175.0° |
| C09 | N08 | C07 | H8 | 179.1° | 58.3° |
| C09 | N08 | C07 | H9 | 59.0° | 178.3° |
| N08 | C09 | C02 | H14 | 60.6° | 60.8° |
| C09 | C10 | O11 | H1 | 120.3° | 120.0° |
| C09 | C10 | O11 | H2 | 120.3° | 120.0° |
| C09 | C10 | O11 | P12 | 174.0° | 180.0° |
| C09 | C10 | H1 | H2 | 119.1° | 120.0° |
| C10 | C09 | N08 | H6 | 59.1° | 57.7° |
| C10 | C09 | C02 | H14 | 63.1° | 59.3° |
| C10 | O11 | P12 | O14 | 167.5° | 54.9° |
| C10 | O11 | P12 | O13 | 46.8° | 175.0° |
| C10 | O11 | P12 | O15 | 72.3° | 65.1° |
| O11 | C10 | H1 | H2 | 119.0° | 120.0° |
| O11 | C10 | C09 | H5 | 164.2° | 55.0° |
| O11 | P12 | O14 | O13 | 106.1° | 120.0° |
| O11 | P12 | O14 | O15 | 107.7° | 120.0° |
| O11 | P12 | O13 | O15 | 109.9° | 120.0° |
| P12 | O11 | C10 | H1 | 65.7° | 60.0° |
| P12 | O11 | C10 | H2 | 53.6° | 60.1° |
| O11 | P12 | O13 | H3 | 103.0° | 179.9° |
| O11 | P12 | O15 | H4 | 103.6° | 60.0° |
| O14 | P12 | O13 | O15 | 147.1° | 120.0° |
| O14 | P12 | O13 | H3 | 0.0° | 60.0° |
| O14 | P12 | O15 | H4 | 0.0° | 180.0° |
| O13 | P12 | O15 | H4 | 147.4° | 60.0° |
| O15 | P12 | O13 | H3 | 147.1° | 60.0° |
| H1 | C10 | C09 | H5 | 43.8° | 175.0° |
| H2 | C10 | C09 | H5 | 75.5° | 65.0° |
| H5 | C09 | N08 | H6 | 177.8° | 177.6° |
| H5 | C09 | C02 | H14 | 179.0° | 179.2° |
| H6 | N08 | C07 | H8 | 60.9° | 177.6° |
| H6 | N08 | C07 | H9 | 179.1° | 57.7° |
| H8 | C07 | C05 | H10 | 67.8° | 179.2° |
| H9 | C07 | C05 | H10 | 172.2° | 59.3° |
| H10 | C05 | O06 | H11 | 58.6° | 59.9° |
| H10 | C05 | C03 | H12 | 172.7° | 177.8° |
| H12 | C03 | O04 | H13 | 53.6° | 60.2° |
| H12 | C03 | C02 | H14 | 175.3° | 177.8° |
| H14 | C02 | O01 | H15 | 65.8° | 60.1° |






