XEA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | N01 | trip | 1.14Å | 1.12Å | |
| C03 | C02 | sing | 1.47Å | 1.54Å | |
| C04 | C03 | sing | 1.55Å | 1.52Å | |
| C05 | C04 | sing | 1.55Å | 1.47Å | |
| O06 | C05 | sing | 1.45Å | 1.26Å | |
| N07 | O06 | sing | 1.47Å | 1.61Å | |
| C03 | N07 | sing | 1.48Å | 1.23Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| N07 | H071 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 174.6° | 180.0° |
| C02 | C03 | C04 | 107.0° | 110.3° |
| C02 | C03 | N07 | 105.7° | 110.3° |
| C02 | C03 | H031 | 110.0° | 110.2° |
| C03 | C04 | C05 | 102.4° | 102.5° |
| C04 | C03 | N07 | 108.2° | 105.3° |
| C04 | C03 | H031 | 110.2° | 110.4° |
| C03 | C04 | H042 | 111.2° | 110.8° |
| C03 | C04 | H041 | 111.2° | 110.8° |
| C04 | C05 | O06 | 103.7° | 102.7° |
| C05 | C04 | H042 | 111.2° | 110.8° |
| C05 | C04 | H041 | 111.2° | 111.0° |
| C04 | C05 | H052 | 110.9° | 110.8° |
| C04 | C05 | H051 | 110.9° | 110.8° |
| C05 | O06 | N07 | 111.4° | 106.2° |
| O06 | C05 | H052 | 110.9° | 110.7° |
| O06 | C05 | H051 | 110.9° | 111.0° |
| O06 | N07 | C03 | 96.0° | 107.9° |
| O06 | N07 | H071 | 112.7° | 111.0° |
| N07 | C03 | H031 | 115.3° | 110.3° |
| C03 | N07 | H071 | 112.7° | 111.0° |
| H042 | C04 | H041 | 109.4° | 110.7° |
| H052 | C05 | H051 | 109.4° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | C04 | 115.2° | 85.9° |
| N01 | C02 | C03 | N07 | 0.1° | 30.0° |
| N01 | C02 | C03 | H031 | 125.1° | 152.0° |
| C02 | C03 | C04 | N07 | 113.5° | 119.0° |
| C02 | C03 | C04 | H031 | 119.6° | 122.0° |
| C02 | C03 | C04 | C05 | 149.4° | 140.0° |
| C02 | C03 | N07 | O06 | 155.0° | 117.3° |
| C02 | C03 | N07 | H031 | 121.8° | 121.9° |
| C02 | C03 | C04 | H042 | 30.5° | 21.8° |
| C02 | C03 | C04 | H041 | 91.8° | 101.5° |
| C02 | C03 | N07 | H071 | 37.3° | 4.5° |
| C03 | C04 | C05 | H042 | 118.9° | 118.2° |
| C03 | C04 | C05 | H041 | 118.9° | 118.3° |
| C03 | C04 | C05 | O06 | 7.3° | 36.5° |
| C04 | C03 | N07 | O06 | 40.7° | 1.7° |
| C04 | C03 | N07 | H031 | 123.9° | 119.1° |
| C03 | C04 | H042 | H041 | 123.3° | 123.4° |
| C03 | C04 | C05 | H052 | 126.5° | 154.8° |
| C03 | C04 | C05 | H051 | 111.7° | 82.0° |
| C04 | C03 | N07 | H071 | 77.0° | 123.5° |
| C04 | C05 | O06 | H052 | 119.1° | 118.3° |
| C04 | C05 | O06 | H051 | 119.1° | 118.4° |
| C04 | C05 | O06 | N07 | 16.1° | 38.7° |
| C05 | C04 | C03 | N07 | 35.9° | 21.0° |
| C05 | C04 | C03 | H031 | 91.0° | 97.9° |
| C05 | C04 | H042 | H041 | 123.3° | 123.6° |
| C04 | C05 | H052 | H051 | 122.7° | 123.3° |
| C05 | O06 | N07 | C03 | 38.8° | 25.9° |
| O06 | C05 | C04 | H042 | 111.5° | 81.7° |
| O06 | C05 | C04 | H041 | 126.2° | 154.8° |
| O06 | C05 | H052 | H051 | 122.7° | 123.5° |
| C05 | O06 | N07 | H071 | 78.9° | 147.8° |
| O06 | N07 | C03 | H071 | 117.7° | 121.8° |
| O06 | N07 | C03 | H031 | 83.3° | 120.7° |
| N07 | O06 | C05 | H052 | 102.9° | 157.0° |
| N07 | O06 | C05 | H051 | 135.2° | 79.7° |
| N07 | C03 | C04 | H042 | 83.0° | 97.2° |
| N07 | C03 | C04 | H041 | 154.8° | 139.5° |
| H031 | C03 | C04 | H042 | 150.1° | 143.8° |
| H031 | C03 | C04 | H041 | 27.8° | 20.5° |
| H031 | C03 | N07 | H071 | 159.0° | 117.4° |
| H042 | C04 | C05 | H052 | 7.6° | 36.6° |
| H042 | C04 | C05 | H051 | 129.4° | 159.8° |
| H041 | C04 | C05 | H052 | 114.7° | 86.9° |
| H041 | C04 | C05 | H051 | 7.1° | 36.3° |
