WEU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C12 | doub | 1.21Å | 1.19Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | N11 | sing | 1.35Å | 1.44Å | |
| N11 | N10 | sing | 1.40Å | 1.40Å | |
| N10 | C09 | sing | 1.35Å | 1.45Å | |
| CL01 | C02 | sing | 1.74Å | 1.78Å | |
| C07 | N06 | sing | 1.47Å | 1.46Å | |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | O16 | doub | 1.21Å | 1.19Å | |
| C09 | C08 | sing | 1.51Å | 1.53Å | |
| C05 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | N06 | sing | 1.40Å | 1.45Å | |
| N06 | C08 | sing | 1.46Å | 1.46Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C12 | C13 | 122.6° | 120.0° |
| O15 | C12 | N11 | 119.4° | 120.0° |
| C13 | C12 | N11 | 118.0° | 120.0° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H1 | 109.5° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.4° |
| C12 | N11 | N10 | 119.7° | 120.0° |
| C12 | N11 | H111 | 120.1° | 120.0° |
| N11 | N10 | C09 | 120.1° | 120.0° |
| N11 | N10 | H101 | 119.9° | 120.0° |
| N10 | N11 | H111 | 120.2° | 120.0° |
| N10 | C09 | O16 | 120.6° | 120.0° |
| N10 | C09 | C08 | 116.9° | 120.0° |
| C09 | N10 | H101 | 120.0° | 120.0° |
| CL01 | C02 | C03 | 120.2° | 120.0° |
| CL01 | C02 | C18 | 119.8° | 119.9° |
| C07 | N06 | C05 | 121.0° | 120.0° |
| C07 | N06 | C08 | 119.6° | 120.0° |
| N06 | C07 | H072 | 109.5° | 109.5° |
| N06 | C07 | H073 | 109.5° | 109.5° |
| N06 | C07 | H071 | 109.5° | 109.5° |
| C02 | C03 | C04 | 119.9° | 120.1° |
| C03 | C02 | C18 | 120.1° | 120.1° |
| C02 | C03 | H031 | 120.1° | 120.0° |
| C03 | C04 | C05 | 120.1° | 119.9° |
| C04 | C03 | H031 | 120.0° | 120.0° |
| C03 | C04 | H041 | 119.9° | 120.0° |
| C02 | C18 | C17 | 120.0° | 120.0° |
| C02 | C18 | H181 | 120.0° | 120.0° |
| C04 | C05 | C17 | 119.7° | 119.9° |
| C04 | C05 | N06 | 120.3° | 120.0° |
| C05 | C04 | H041 | 120.0° | 120.0° |
| C18 | C17 | C05 | 120.2° | 120.0° |
| C18 | C17 | H171 | 119.9° | 120.1° |
| C17 | C18 | H181 | 120.0° | 120.0° |
| O16 | C09 | C08 | 122.5° | 119.9° |
| C09 | C08 | N06 | 110.6° | 109.5° |
| C09 | C08 | H082 | 109.2° | 109.5° |
| C09 | C08 | H081 | 109.2° | 109.5° |
| C17 | C05 | N06 | 119.9° | 120.1° |
| C05 | C17 | H171 | 119.9° | 120.0° |
| C05 | N06 | C08 | 119.3° | 120.0° |
| N06 | C08 | H082 | 109.2° | 109.4° |
| N06 | C08 | H081 | 109.2° | 109.5° |
| H132 | C13 | H1 | 109.5° | 109.4° |
| H132 | C13 | H131 | 109.5° | 109.6° |
| H1 | C13 | H131 | 109.5° | 109.4° |
| H072 | C07 | H073 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H073 | C07 | H071 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C12 | C13 | N11 | 179.9° | 180.0° |
| O15 | C12 | N11 | N10 | 178.1° | 0.1° |
| O15 | C12 | C13 | H132 | 0.0° | 90.0° |
| O15 | C12 | C13 | H1 | 120.0° | 30.0° |
| O15 | C12 | C13 | H131 | 120.0° | 149.9° |
| O15 | C12 | N11 | H111 | 1.9° | 180.0° |
| C13 | C12 | N11 | N10 | 2.0° | 180.0° |
| C12 | C13 | H132 | H1 | 120.0° | 120.0° |
| C12 | C13 | H132 | H131 | 120.0° | 120.0° |
| C12 | C13 | H1 | H131 | 120.0° | 119.9° |
| C13 | C12 | N11 | H111 | 178.0° | 0.0° |
| C12 | N11 | N10 | H111 | 180.0° | 179.9° |
| C12 | N11 | N10 | C09 | 91.4° | 180.0° |
| N11 | C12 | C13 | H132 | 179.9° | 90.1° |
| N11 | C12 | C13 | H1 | 60.1° | 150.0° |
| N11 | C12 | C13 | H131 | 59.9° | 30.0° |
| C12 | N11 | N10 | H101 | 88.6° | 0.0° |
| N11 | N10 | C09 | H101 | 180.0° | 180.0° |
| N11 | N10 | C09 | O16 | 1.0° | 0.0° |
| N11 | N10 | C09 | C08 | 179.1° | 180.0° |
| N10 | C09 | O16 | C08 | 179.9° | 180.0° |
| N10 | C09 | C08 | N06 | 4.3° | 180.0° |
| N10 | C09 | C08 | H082 | 115.9° | 60.0° |
| N10 | C09 | C08 | H081 | 124.5° | 60.0° |
| C09 | N10 | N11 | H111 | 88.6° | 0.0° |
| CL01 | C02 | C03 | C18 | 180.0° | 179.9° |
| CL01 | C02 | C03 | C04 | 179.9° | 179.7° |
| CL01 | C02 | C18 | C17 | 180.0° | 180.0° |
| CL01 | C02 | C03 | H031 | 0.1° | 0.0° |
| CL01 | C02 | C18 | H181 | 0.0° | 0.1° |
| C07 | N06 | C05 | C04 | 26.4° | 0.1° |
| C07 | N06 | C08 | C09 | 82.6° | 90.0° |
| C07 | N06 | C05 | C17 | 155.2° | 180.0° |
| C07 | N06 | C05 | C08 | 178.4° | 179.9° |
| N06 | C07 | H072 | H073 | 120.0° | 120.0° |
| N06 | C07 | H072 | H071 | 120.0° | 120.0° |
| N06 | C07 | H073 | H071 | 120.0° | 120.0° |
| C07 | N06 | C08 | H082 | 37.6° | 150.0° |
| C07 | N06 | C08 | H081 | 157.3° | 30.0° |
| C02 | C03 | C04 | H031 | 180.0° | 179.7° |
| C02 | C03 | C04 | C05 | 0.2° | 0.2° |
| C03 | C02 | C18 | C17 | 0.0° | 0.0° |
| C02 | C03 | C04 | H041 | 179.8° | 180.0° |
| C03 | C02 | C18 | H181 | 180.0° | 180.0° |
| C04 | C03 | C02 | C18 | 0.1° | 0.2° |
| C03 | C04 | C05 | H041 | 180.0° | 179.8° |
| C03 | C04 | C05 | C17 | 0.7° | 0.1° |
| C03 | C04 | C05 | N06 | 179.0° | 179.9° |
| C02 | C18 | C17 | H181 | 180.0° | 179.9° |
| C02 | C18 | C17 | C05 | 0.5° | 0.3° |
| C02 | C18 | C17 | H171 | 179.5° | 180.0° |
| C18 | C02 | C03 | H031 | 179.8° | 179.9° |
| C04 | C05 | C17 | C18 | 0.8° | 0.3° |
| C04 | C05 | C17 | N06 | 178.3° | 179.9° |
| C04 | C05 | N06 | C08 | 151.9° | 180.0° |
| C04 | C05 | C17 | H171 | 179.2° | 180.0° |
| C05 | C04 | C03 | H031 | 179.8° | 179.9° |
| C18 | C17 | C05 | H171 | 180.0° | 179.7° |
| C18 | C17 | C05 | N06 | 179.2° | 179.8° |
| O16 | C09 | C08 | N06 | 175.5° | 0.0° |
| O16 | C09 | C08 | H082 | 64.3° | 120.0° |
| O16 | C09 | C08 | H081 | 55.4° | 120.1° |
| O16 | C09 | N10 | H101 | 179.0° | 180.0° |
| C09 | C08 | N06 | C05 | 99.1° | 89.9° |
| C09 | C08 | N06 | H082 | 120.2° | 120.0° |
| C09 | C08 | N06 | H081 | 120.2° | 120.0° |
| C09 | C08 | H082 | H081 | 119.5° | 120.0° |
| C08 | C09 | N10 | H101 | 0.9° | 0.0° |
| C17 | C05 | N06 | C08 | 26.4° | 0.1° |
| C17 | C05 | C04 | H041 | 179.4° | 179.8° |
| C05 | C17 | C18 | H181 | 179.5° | 179.7° |
| N06 | C05 | C17 | H171 | 0.9° | 0.1° |
| N06 | C05 | C04 | H041 | 1.0° | 0.1° |
| C05 | N06 | C07 | H072 | 180.0° | 90.1° |
| C05 | N06 | C07 | H073 | 60.0° | 149.9° |
| C05 | N06 | C07 | H071 | 60.0° | 29.9° |
| C05 | N06 | C08 | H082 | 140.7° | 30.1° |
| C05 | N06 | C08 | H081 | 21.1° | 150.0° |
| C08 | N06 | C07 | H072 | 1.6° | 90.0° |
| C08 | N06 | C07 | H073 | 118.4° | 30.0° |
| C08 | N06 | C07 | H071 | 121.6° | 150.0° |
| N06 | C08 | H082 | H081 | 119.4° | 120.0° |
| H132 | C13 | H1 | H131 | 120.0° | 120.1° |
| H171 | C17 | C18 | H181 | 0.5° | 0.1° |
| H031 | C03 | C04 | H041 | 0.1° | 0.3° |
| H072 | C07 | H073 | H071 | 120.0° | 120.0° |
| H101 | N10 | N11 | H111 | 91.4° | 180.0° |
