7WE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N12 | sing | 1.47Å | 1.45Å | |
| C14 | N12 | sing | 1.47Å | 1.47Å | |
| N12 | C11 | sing | 1.47Å | 1.48Å | |
| C11 | C10 | sing | 1.51Å | 1.54Å | |
| C10 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.37Å | Aromatic |
| C16 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | N06 | sing | 1.40Å | 1.44Å | |
| N06 | C05 | sing | 1.39Å | 1.43Å | |
| C17 | C05 | sing | 1.41Å | 1.40Å | |
| C17 | N18 | doub | 1.30Å | 1.32Å | |
| C05 | C03 | doub | 1.38Å | 1.38Å | |
| N18 | N19 | sing | 1.40Å | 1.34Å | |
| C03 | CL04 | sing | 1.74Å | 1.75Å | |
| C03 | C02 | sing | 1.40Å | 1.40Å | |
| N19 | C02 | sing | 1.35Å | 1.29Å | |
| N19 | C20 | sing | 1.46Å | 1.48Å | |
| C02 | O01 | doub | 1.22Å | 1.37Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.08Å | 1.08Å | |
| C09 | H16 | sing | 1.08Å | 1.08Å | |
| N06 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N12 | C14 | 112.8° | 111.0° |
| C13 | N12 | C11 | 111.4° | 111.0° |
| N12 | C13 | H3 | 109.5° | 109.5° |
| N12 | C13 | H4 | 109.4° | 109.5° |
| N12 | C13 | H5 | 109.5° | 109.5° |
| C14 | N12 | C11 | 112.5° | 111.0° |
| N12 | C14 | H6 | 109.5° | 109.4° |
| N12 | C14 | H7 | 109.5° | 109.5° |
| N12 | C14 | H8 | 109.5° | 109.5° |
| N12 | C11 | C10 | 106.4° | 109.5° |
| N12 | C11 | H1 | 110.2° | 109.5° |
| N12 | C11 | H2 | 110.3° | 109.5° |
| C11 | C10 | C09 | 119.0° | 119.9° |
| C11 | C10 | C15 | 119.1° | 119.9° |
| C10 | C11 | H1 | 110.2° | 109.5° |
| C10 | C11 | H2 | 110.2° | 109.5° |
| C09 | C10 | C15 | 121.9° | 120.1° |
| C10 | C09 | C08 | 118.5° | 120.1° |
| C10 | C09 | H16 | 120.8° | 120.0° |
| C10 | C15 | C16 | 118.8° | 120.1° |
| C10 | C15 | H9 | 120.6° | 119.9° |
| C09 | C08 | C07 | 119.5° | 119.9° |
| C09 | C08 | H15 | 120.2° | 120.0° |
| C08 | C09 | H16 | 120.8° | 120.0° |
| C15 | C16 | C07 | 118.5° | 119.9° |
| C16 | C15 | H9 | 120.6° | 120.0° |
| C15 | C16 | H10 | 120.7° | 120.0° |
| C08 | C07 | C16 | 122.7° | 119.9° |
| C08 | C07 | N06 | 119.0° | 120.1° |
| C07 | C08 | H15 | 120.2° | 120.1° |
| C16 | C07 | N06 | 118.3° | 120.0° |
| C07 | C16 | H10 | 120.7° | 120.1° |
| C07 | N06 | C05 | 125.4° | 120.0° |
| C07 | N06 | H17 | 117.3° | 120.0° |
| N06 | C05 | C17 | 123.3° | 120.3° |
| N06 | C05 | C03 | 117.0° | 120.3° |
| C05 | N06 | H17 | 117.3° | 120.0° |
| C05 | C17 | N18 | 117.0° | 120.4° |
| C17 | C05 | C03 | 119.7° | 119.4° |
| C05 | C17 | H11 | 121.5° | 119.8° |
| C17 | N18 | N19 | 124.1° | 121.1° |
| N18 | C17 | H11 | 121.5° | 119.8° |
| C05 | C03 | CL04 | 121.0° | 120.5° |
| C05 | C03 | C02 | 118.5° | 119.0° |
| N18 | N19 | C02 | 120.5° | 120.6° |
| N18 | N19 | C20 | 119.8° | 119.7° |
| CL04 | C03 | C02 | 120.5° | 120.5° |
| C03 | C02 | N19 | 120.1° | 119.6° |
| C03 | C02 | O01 | 119.5° | 120.2° |
| C02 | N19 | C20 | 119.7° | 119.7° |
| N19 | C02 | O01 | 120.3° | 120.3° |
| N19 | C20 | H12 | 109.5° | 109.5° |
| N19 | C20 | H13 | 109.5° | 109.5° |
| N19 | C20 | H14 | 109.5° | 109.5° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H5 | 109.5° | 109.4° |
| H4 | C13 | H5 | 109.4° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H8 | 109.5° | 109.4° |
| H7 | C14 | H8 | 109.4° | 109.5° |
| H12 | C20 | H13 | 109.5° | 109.4° |
| H12 | C20 | H14 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | N12 | C14 | C11 | 127.1° | 124.0° |
| C13 | N12 | C11 | C10 | 142.8° | 170.0° |
| C13 | N12 | C11 | H1 | 97.7° | 50.0° |
| C13 | N12 | C11 | H2 | 23.3° | 70.0° |
| N12 | C13 | H3 | H4 | 120.0° | 120.0° |
| N12 | C13 | H3 | H5 | 120.0° | 120.0° |
| N12 | C13 | H4 | H5 | 120.0° | 120.0° |
| C13 | N12 | C14 | H6 | 180.0° | 60.0° |
| C13 | N12 | C14 | H7 | 60.0° | 180.0° |
| C13 | N12 | C14 | H8 | 60.0° | 59.9° |
| C14 | N12 | C11 | C10 | 89.4° | 66.0° |
| C14 | N12 | C11 | H1 | 30.1° | 174.0° |
| C14 | N12 | C11 | H2 | 151.1° | 54.0° |
| C14 | N12 | C13 | H3 | 180.0° | 56.0° |
| C14 | N12 | C13 | H4 | 60.0° | 176.0° |
| C14 | N12 | C13 | H5 | 60.0° | 63.9° |
| N12 | C14 | H6 | H7 | 120.0° | 120.0° |
| N12 | C14 | H6 | H8 | 120.0° | 120.0° |
| N12 | C14 | H7 | H8 | 120.0° | 120.0° |
| N12 | C11 | C10 | H1 | 119.5° | 120.0° |
| N12 | C11 | C10 | H2 | 119.5° | 120.0° |
| N12 | C11 | C10 | C09 | 79.2° | 90.0° |
| N12 | C11 | C10 | C15 | 99.5° | 89.8° |
| N12 | C11 | H1 | H2 | 121.5° | 120.0° |
| C11 | N12 | C13 | H3 | 52.4° | 180.0° |
| C11 | N12 | C13 | H4 | 67.7° | 60.0° |
| C11 | N12 | C13 | H5 | 172.4° | 60.1° |
| C11 | N12 | C14 | H6 | 52.9° | 64.0° |
| C11 | N12 | C14 | H7 | 172.9° | 56.0° |
| C11 | N12 | C14 | H8 | 67.1° | 176.1° |
| C11 | C10 | C09 | C15 | 178.6° | 179.8° |
| C11 | C10 | C09 | C08 | 177.2° | 179.8° |
| C11 | C10 | C15 | C16 | 179.2° | 179.7° |
| C10 | C11 | H1 | H2 | 121.4° | 120.0° |
| C11 | C10 | C15 | H9 | 0.8° | 0.2° |
| C11 | C10 | C09 | H16 | 2.9° | 0.2° |
| C10 | C09 | C08 | H16 | 180.0° | 180.0° |
| C09 | C10 | C15 | C16 | 0.6° | 0.0° |
| C10 | C09 | C08 | C07 | 2.8° | 0.0° |
| C09 | C10 | C11 | H1 | 40.4° | 150.0° |
| C09 | C10 | C11 | H2 | 161.3° | 30.0° |
| C09 | C10 | C15 | H9 | 179.4° | 180.0° |
| C10 | C09 | C08 | H15 | 177.2° | 180.0° |
| C15 | C10 | C09 | C08 | 1.4° | 0.0° |
| C10 | C15 | C16 | H9 | 180.0° | 180.0° |
| C10 | C15 | C16 | C07 | 1.3° | 0.0° |
| C15 | C10 | C11 | H1 | 141.0° | 30.3° |
| C15 | C10 | C11 | H2 | 20.0° | 150.2° |
| C10 | C15 | C16 | H10 | 178.7° | 180.0° |
| C15 | C10 | C09 | H16 | 178.5° | 180.0° |
| C09 | C08 | C07 | H15 | 180.0° | 180.0° |
| C09 | C08 | C07 | C16 | 2.2° | 0.0° |
| C09 | C08 | C07 | N06 | 177.8° | 180.0° |
| C15 | C16 | C07 | C08 | 0.1° | 0.0° |
| C15 | C16 | C07 | H10 | 180.0° | 179.9° |
| C15 | C16 | C07 | N06 | 179.9° | 180.0° |
| C08 | C07 | C16 | N06 | 180.0° | 180.0° |
| C08 | C07 | N06 | C05 | 70.6° | 172.7° |
| C08 | C07 | C16 | H10 | 179.9° | 180.0° |
| C07 | C08 | C09 | H16 | 177.2° | 180.0° |
| C08 | C07 | N06 | H17 | 109.4° | 7.2° |
| C16 | C07 | N06 | C05 | 109.4° | 7.3° |
| C07 | C16 | C15 | H9 | 178.7° | 180.0° |
| C16 | C07 | C08 | H15 | 177.8° | 180.0° |
| C16 | C07 | N06 | H17 | 70.6° | 172.7° |
| C07 | N06 | C05 | H17 | 180.0° | 179.9° |
| C07 | N06 | C05 | C17 | 10.0° | 58.2° |
| C07 | N06 | C05 | C03 | 170.9° | 121.8° |
| N06 | C07 | C16 | H10 | 0.1° | 0.0° |
| N06 | C07 | C08 | H15 | 2.2° | 0.0° |
| N06 | C05 | C17 | C03 | 179.0° | 180.0° |
| N06 | C05 | C17 | N18 | 179.5° | 180.0° |
| N06 | C05 | C03 | CL04 | 1.2° | 0.0° |
| N06 | C05 | C03 | C02 | 178.7° | 180.0° |
| N06 | C05 | C17 | H11 | 0.5° | 0.3° |
| C05 | C17 | N18 | H11 | 180.0° | 179.7° |
| C05 | C17 | N18 | N19 | 0.2° | 0.0° |
| C17 | C05 | C03 | CL04 | 179.7° | 180.0° |
| C17 | C05 | C03 | C02 | 2.2° | 0.0° |
| C17 | C05 | N06 | H17 | 170.0° | 121.7° |
| N18 | C17 | C05 | C03 | 1.4° | 0.0° |
| C17 | N18 | N19 | C02 | 1.2° | 0.0° |
| C17 | N18 | N19 | C20 | 179.8° | 180.0° |
| C05 | C03 | CL04 | C02 | 177.4° | 180.0° |
| C05 | C03 | C02 | N19 | 1.3° | 0.0° |
| C05 | C03 | C02 | O01 | 176.4° | 180.0° |
| C03 | C05 | C17 | H11 | 178.6° | 179.8° |
| C03 | C05 | N06 | H17 | 9.1° | 58.3° |
| N18 | N19 | C02 | C03 | 0.3° | 0.0° |
| N18 | N19 | C02 | C20 | 178.7° | 180.0° |
| N18 | N19 | C02 | O01 | 178.1° | 180.0° |
| N19 | N18 | C17 | H11 | 179.7° | 179.8° |
| N18 | N19 | C20 | H12 | 0.0° | 0.0° |
| N18 | N19 | C20 | H13 | 120.0° | 120.0° |
| N18 | N19 | C20 | H14 | 120.0° | 120.0° |
| CL04 | C03 | C02 | N19 | 178.8° | 180.0° |
| CL04 | C03 | C02 | O01 | 1.0° | 0.0° |
| C03 | C02 | N19 | O01 | 177.8° | 180.0° |
| C03 | C02 | N19 | C20 | 179.0° | 180.0° |
| C02 | N19 | C20 | H12 | 178.7° | 180.0° |
| C02 | N19 | C20 | H13 | 58.7° | 60.0° |
| C02 | N19 | C20 | H14 | 61.3° | 60.0° |
| C20 | N19 | C02 | O01 | 3.3° | 0.0° |
| N19 | C20 | H12 | H13 | 120.0° | 120.0° |
| N19 | C20 | H12 | H14 | 120.0° | 120.0° |
| N19 | C20 | H13 | H14 | 120.0° | 120.0° |
| H3 | C13 | H4 | H5 | 120.0° | 120.0° |
| H6 | C14 | H7 | H8 | 120.0° | 120.0° |
| H9 | C15 | C16 | H10 | 1.3° | 0.0° |
| H12 | C20 | H13 | H14 | 120.0° | 119.9° |
| H15 | C08 | C09 | H16 | 2.8° | 0.0° |
