JEG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | C03 | doub | 1.21Å | 1.26Å | |
| O04 | C03 | sing | 1.34Å | 1.26Å | |
| C03 | C02 | sing | 1.51Å | 1.58Å | |
| N01 | C02 | sing | 1.47Å | 1.42Å | |
| C02 | C11 | sing | 1.54Å | 1.52Å | |
| C02 | C06 | sing | 1.54Å | 1.52Å | |
| C11 | C07 | sing | 1.54Å | 1.50Å | |
| C06 | C07 | sing | 1.54Å | 1.50Å | |
| C07 | C08 | sing | 1.51Å | 1.44Å | |
| C08 | O09 | doub | 1.21Å | 1.26Å | |
| C08 | O10 | sing | 1.34Å | 1.26Å | |
| N01 | H1 | sing | 1.01Å | 1.00Å | |
| N01 | H2 | sing | 1.01Å | 1.00Å | |
| O04 | H4 | sing | 0.97Å | 0.95Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| O10 | H8 | sing | 0.97Å | 0.95Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | C03 | O04 | 119.4° | 120.0° |
| O05 | C03 | C02 | 120.1° | 120.1° |
| O04 | C03 | C02 | 120.5° | 120.0° |
| C03 | O04 | H4 | 109.5° | 117.0° |
| C03 | C02 | N01 | 92.5° | 112.9° |
| C03 | C02 | C11 | 119.8° | 113.6° |
| C03 | C02 | C06 | 120.1° | 113.7° |
| N01 | C02 | C11 | 119.2° | 113.6° |
| N01 | C02 | C06 | 119.6° | 113.6° |
| C02 | N01 | H1 | 109.5° | 111.0° |
| C02 | N01 | H2 | 109.5° | 111.0° |
| C11 | C02 | C06 | 88.6° | 87.1° |
| C02 | C11 | C07 | 90.7° | 87.1° |
| C02 | C11 | H9 | 113.9° | 113.6° |
| C02 | C11 | H10 | 113.9° | 113.6° |
| C02 | C06 | C07 | 90.6° | 87.1° |
| C02 | C06 | H5 | 114.0° | 113.6° |
| C02 | C06 | H6 | 114.0° | 113.6° |
| C11 | C07 | C06 | 90.0° | 87.1° |
| C11 | C07 | C08 | 112.4° | 113.7° |
| C11 | C07 | H7 | 107.5° | 113.6° |
| C07 | C11 | H9 | 113.9° | 113.6° |
| C07 | C11 | H10 | 114.0° | 113.6° |
| C06 | C07 | C08 | 128.8° | 113.6° |
| C07 | C06 | H5 | 114.0° | 113.6° |
| C07 | C06 | H6 | 113.9° | 113.6° |
| C06 | C07 | H7 | 107.4° | 113.5° |
| C07 | C08 | O09 | 119.9° | 120.0° |
| C07 | C08 | O10 | 119.6° | 120.0° |
| C08 | C07 | H7 | 108.2° | 112.9° |
| O09 | C08 | O10 | 120.5° | 120.0° |
| C08 | O10 | H8 | 109.5° | 117.0° |
| H1 | N01 | H2 | 109.4° | 111.0° |
| H5 | C06 | H6 | 109.5° | 112.9° |
| H9 | C11 | H10 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | C03 | O04 | C02 | 179.7° | 180.0° |
| O05 | C03 | C02 | N01 | 23.0° | 154.7° |
| O05 | C03 | C02 | C11 | 149.0° | 23.4° |
| O05 | C03 | C02 | C06 | 103.5° | 74.1° |
| O05 | C03 | O04 | H4 | 0.0° | 0.0° |
| O04 | C03 | C02 | N01 | 157.3° | 25.3° |
| O04 | C03 | C02 | C11 | 31.3° | 156.5° |
| O04 | C03 | C02 | C06 | 76.1° | 105.9° |
| C03 | C02 | N01 | C11 | 126.5° | 131.2° |
| C03 | C02 | N01 | C06 | 126.9° | 131.3° |
| C03 | C02 | C11 | C06 | 124.3° | 114.6° |
| C03 | C02 | C11 | C07 | 125.9° | 140.0° |
| C03 | C02 | C06 | C07 | 125.7° | 140.0° |
| C03 | C02 | N01 | H1 | 180.0° | 48.8° |
| C03 | C02 | N01 | H2 | 60.0° | 172.8° |
| C02 | C03 | O04 | H4 | 179.7° | 180.0° |
| C03 | C02 | C06 | H5 | 117.6° | 105.5° |
| C03 | C02 | C06 | H6 | 9.1° | 25.4° |
| C03 | C02 | C11 | H9 | 9.2° | 25.5° |
| C03 | C02 | C11 | H10 | 117.4° | 105.4° |
| N01 | C02 | C11 | C06 | 123.5° | 114.6° |
| N01 | C02 | C11 | C07 | 121.9° | 89.1° |
| N01 | C02 | C06 | C07 | 121.6° | 89.2° |
| C02 | N01 | H1 | H2 | 120.0° | 124.0° |
| N01 | C02 | C06 | H5 | 4.9° | 25.4° |
| N01 | C02 | C06 | H6 | 121.7° | 156.3° |
| N01 | C02 | C11 | H9 | 121.4° | 156.3° |
| N01 | C02 | C11 | H10 | 5.2° | 25.4° |
| C02 | C11 | C07 | H9 | 116.7° | 114.5° |
| C02 | C11 | C07 | H10 | 116.7° | 114.5° |
| C11 | C02 | C06 | C07 | 1.6° | 25.4° |
| C02 | C11 | C07 | C08 | 134.3° | 140.0° |
| C11 | C02 | N01 | H1 | 53.5° | 180.0° |
| C11 | C02 | N01 | H2 | 66.5° | 56.0° |
| C11 | C02 | C06 | H5 | 118.3° | 140.0° |
| C11 | C02 | C06 | H6 | 115.1° | 89.1° |
| C02 | C11 | C07 | H7 | 106.7° | 89.1° |
| C02 | C11 | H9 | H10 | 128.8° | 131.2° |
| C02 | C06 | C07 | H5 | 116.7° | 114.6° |
| C02 | C06 | C07 | H6 | 116.7° | 114.6° |
| C02 | C06 | C07 | C08 | 120.9° | 140.0° |
| C06 | C02 | N01 | H1 | 53.1° | 82.5° |
| C06 | C02 | N01 | H2 | 173.0° | 41.5° |
| C02 | C06 | H5 | H6 | 128.9° | 131.3° |
| C02 | C06 | C07 | H7 | 106.8° | 89.2° |
| C06 | C02 | C11 | H9 | 115.1° | 89.1° |
| C06 | C02 | C11 | H10 | 118.3° | 140.0° |
| C11 | C07 | C06 | C08 | 119.3° | 114.6° |
| C11 | C07 | C06 | H7 | 108.4° | 114.6° |
| C11 | C07 | C08 | H7 | 118.5° | 131.3° |
| C11 | C07 | C08 | O09 | 41.5° | 97.5° |
| C11 | C07 | C08 | O10 | 138.3° | 82.5° |
| C11 | C07 | C06 | H5 | 118.3° | 140.0° |
| C11 | C07 | C06 | H6 | 115.1° | 89.2° |
| C07 | C11 | H9 | H10 | 128.9° | 131.3° |
| C06 | C07 | C08 | H7 | 132.0° | 131.2° |
| C06 | C07 | C08 | O09 | 150.9° | 0.0° |
| C06 | C07 | C08 | O10 | 28.8° | 180.0° |
| C07 | C06 | H5 | H6 | 128.9° | 131.2° |
| C06 | C07 | C11 | H9 | 115.1° | 89.1° |
| C06 | C07 | C11 | H10 | 118.3° | 140.0° |
| C07 | C08 | O09 | O10 | 179.7° | 180.0° |
| C08 | C07 | C06 | H5 | 122.4° | 105.4° |
| C08 | C07 | C06 | H6 | 4.2° | 25.4° |
| C07 | C08 | O10 | H8 | 179.7° | 180.0° |
| C08 | C07 | C11 | H9 | 17.6° | 25.5° |
| C08 | C07 | C11 | H10 | 109.0° | 105.5° |
| O09 | C08 | C07 | H7 | 77.0° | 131.2° |
| O09 | C08 | O10 | H8 | 0.0° | 0.0° |
| O10 | C08 | C07 | H7 | 103.2° | 48.8° |
| H5 | C06 | C07 | H7 | 9.9° | 25.4° |
| H6 | C06 | C07 | H7 | 136.6° | 156.3° |
| H7 | C07 | C11 | H9 | 136.6° | 156.4° |
| H7 | C07 | C11 | H10 | 10.0° | 25.5° |
