WMG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C09 | C02 | sing | 1.51Å | 1.55Å | |
| C09 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | N03 | sing | 1.47Å | 1.28Å | |
| C14 | F15 | sing | 1.35Å | 1.36Å | |
| N03 | C08 | sing | 1.47Å | 1.42Å | |
| N03 | C04 | sing | 1.47Å | 1.42Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C07 | N06 | sing | 1.47Å | 1.41Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C05 | N06 | sing | 1.47Å | 1.41Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| N06 | H18 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 119.0° | 120.1° |
| C11 | C10 | C09 | 121.7° | 120.0° |
| C11 | C10 | H1 | 119.2° | 120.0° |
| C10 | C11 | H15 | 120.5° | 119.9° |
| C11 | C12 | C13 | 120.6° | 120.0° |
| C12 | C11 | H15 | 120.5° | 120.0° |
| C11 | C12 | H16 | 119.7° | 120.0° |
| C10 | C09 | C02 | 120.3° | 120.0° |
| C10 | C09 | C14 | 118.5° | 120.0° |
| C09 | C10 | H1 | 119.1° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.0° |
| C12 | C13 | H2 | 119.9° | 120.0° |
| C13 | C12 | H16 | 119.7° | 120.0° |
| C01 | C02 | C09 | 106.7° | 109.5° |
| C01 | C02 | N03 | 114.0° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C01 | C02 | H6 | 106.2° | 109.5° |
| C02 | C09 | C14 | 121.2° | 120.0° |
| C09 | C02 | N03 | 113.6° | 109.5° |
| C09 | C02 | H6 | 106.2° | 109.5° |
| C09 | C14 | C13 | 119.9° | 119.9° |
| C09 | C14 | F15 | 121.2° | 120.0° |
| C13 | C14 | F15 | 119.0° | 120.0° |
| C14 | C13 | H2 | 119.9° | 120.0° |
| C02 | N03 | C08 | 116.0° | 111.0° |
| C02 | N03 | C04 | 111.6° | 111.0° |
| N03 | C02 | H6 | 109.6° | 109.5° |
| C08 | N03 | C04 | 108.4° | 110.9° |
| N03 | C08 | C07 | 114.0° | 109.4° |
| N03 | C08 | H13 | 108.3° | 109.4° |
| N03 | C08 | H14 | 108.3° | 109.5° |
| N03 | C04 | C05 | 112.6° | 109.4° |
| N03 | C04 | H7 | 108.7° | 109.4° |
| N03 | C04 | H8 | 108.7° | 109.5° |
| C08 | C07 | N06 | 115.5° | 109.4° |
| C08 | C07 | H11 | 107.9° | 109.5° |
| C08 | C07 | H12 | 108.0° | 109.5° |
| C07 | C08 | H13 | 108.3° | 109.5° |
| C07 | C08 | H14 | 108.3° | 109.5° |
| C07 | N06 | C05 | 114.0° | 110.9° |
| N06 | C07 | H11 | 108.0° | 109.5° |
| N06 | C07 | H12 | 107.9° | 109.5° |
| C07 | N06 | H18 | 108.3° | 111.1° |
| C04 | C05 | N06 | 115.7° | 109.4° |
| C05 | C04 | H7 | 108.7° | 109.5° |
| C05 | C04 | H8 | 108.7° | 109.5° |
| C04 | C05 | H9 | 107.9° | 109.5° |
| C04 | C05 | H10 | 107.9° | 109.5° |
| N06 | C05 | H9 | 107.9° | 109.5° |
| N06 | C05 | H10 | 107.9° | 109.4° |
| C05 | N06 | H18 | 108.3° | 111.0° |
| H3 | C01 | H4 | 109.5° | 109.4° |
| H3 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H9 | C05 | H10 | 109.5° | 109.5° |
| H11 | C07 | H12 | 109.4° | 109.5° |
| H13 | C08 | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H15 | 180.0° | 180.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 1.0° | 0.0° |
| C11 | C10 | C09 | C02 | 178.9° | 179.7° |
| C11 | C10 | C09 | C14 | 0.9° | 0.2° |
| C10 | C11 | C12 | H16 | 179.0° | 180.0° |
| C12 | C11 | C10 | C09 | 1.1° | 0.0° |
| C11 | C12 | C13 | H16 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.8° | 0.2° |
| C12 | C11 | C10 | H1 | 178.9° | 179.7° |
| C11 | C12 | C13 | H2 | 179.2° | 179.7° |
| C10 | C09 | C02 | C01 | 56.0° | 100.0° |
| C10 | C09 | C02 | C14 | 179.8° | 179.9° |
| C10 | C09 | C14 | C13 | 0.7° | 0.5° |
| C10 | C09 | C02 | N03 | 70.6° | 20.0° |
| C10 | C09 | C14 | F15 | 179.2° | 180.0° |
| C10 | C09 | C02 | H6 | 168.9° | 140.0° |
| C09 | C10 | C11 | H15 | 178.9° | 180.0° |
| C12 | C13 | C14 | C09 | 0.6° | 0.5° |
| C12 | C13 | C14 | H2 | 180.0° | 179.5° |
| C12 | C13 | C14 | F15 | 179.3° | 180.0° |
| C13 | C12 | C11 | H15 | 179.0° | 180.0° |
| C01 | C02 | C09 | N03 | 126.5° | 120.0° |
| C01 | C02 | C09 | H6 | 112.9° | 120.0° |
| C01 | C02 | C09 | C14 | 123.9° | 79.9° |
| C01 | C02 | N03 | H6 | 118.8° | 120.0° |
| C01 | C02 | N03 | C08 | 44.0° | 60.0° |
| C01 | C02 | N03 | C04 | 168.8° | 176.2° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.1° |
| C02 | C09 | C14 | C13 | 179.1° | 179.4° |
| C09 | C02 | N03 | H6 | 118.6° | 120.0° |
| C02 | C09 | C14 | F15 | 0.9° | 0.1° |
| C09 | C02 | N03 | C08 | 166.5° | 180.0° |
| C09 | C02 | N03 | C04 | 68.6° | 56.2° |
| C02 | C09 | C10 | H1 | 1.1° | 0.0° |
| C09 | C02 | C01 | H3 | 180.0° | 60.0° |
| C09 | C02 | C01 | H4 | 60.0° | 60.0° |
| C09 | C02 | C01 | H5 | 60.0° | 180.0° |
| C09 | C14 | C13 | F15 | 179.9° | 179.5° |
| C14 | C09 | C02 | N03 | 109.6° | 160.0° |
| C14 | C09 | C10 | H1 | 179.1° | 179.9° |
| C09 | C14 | C13 | H2 | 179.3° | 180.0° |
| C14 | C09 | C02 | H6 | 10.9° | 40.1° |
| C14 | C13 | C12 | H16 | 179.2° | 179.8° |
| C02 | N03 | C08 | C04 | 126.5° | 123.9° |
| C02 | N03 | C08 | C07 | 177.7° | 176.8° |
| C02 | N03 | C04 | C05 | 174.8° | 176.8° |
| N03 | C02 | C01 | H3 | 53.8° | 60.0° |
| N03 | C02 | C01 | H4 | 66.3° | 180.0° |
| N03 | C02 | C01 | H5 | 173.7° | 60.0° |
| C02 | N03 | C04 | H7 | 64.7° | 56.8° |
| C02 | N03 | C04 | H8 | 54.4° | 63.2° |
| C02 | N03 | C08 | H13 | 57.0° | 63.2° |
| C02 | N03 | C08 | H14 | 61.6° | 56.8° |
| F15 | C14 | C13 | H2 | 0.7° | 0.5° |
| N03 | C08 | C07 | H13 | 120.7° | 119.9° |
| N03 | C08 | C07 | H14 | 120.7° | 120.0° |
| N03 | C08 | C07 | N06 | 47.9° | 58.4° |
| C08 | N03 | C04 | C05 | 56.2° | 59.3° |
| C08 | N03 | C02 | H6 | 74.9° | 60.0° |
| C08 | N03 | C04 | H7 | 64.2° | 179.3° |
| C08 | N03 | C04 | H8 | 176.7° | 60.7° |
| N03 | C08 | C07 | H11 | 73.0° | 61.6° |
| N03 | C08 | C07 | H12 | 168.8° | 178.4° |
| N03 | C08 | H13 | H14 | 117.9° | 120.0° |
| C04 | N03 | C08 | C07 | 55.8° | 59.3° |
| N03 | C04 | C05 | H7 | 120.5° | 119.9° |
| N03 | C04 | C05 | H8 | 120.4° | 120.0° |
| N03 | C04 | C05 | N06 | 50.0° | 58.4° |
| C04 | N03 | C02 | H6 | 50.0° | 63.8° |
| N03 | C04 | H7 | H8 | 118.6° | 120.0° |
| N03 | C04 | C05 | H9 | 170.9° | 178.4° |
| N03 | C04 | C05 | H10 | 70.9° | 61.5° |
| C04 | N03 | C08 | H13 | 176.5° | 60.7° |
| C04 | N03 | C08 | H14 | 64.9° | 179.3° |
| C08 | C07 | N06 | H11 | 120.9° | 120.0° |
| C08 | C07 | N06 | H12 | 120.9° | 120.0° |
| C08 | C07 | N06 | C05 | 38.1° | 59.3° |
| C08 | C07 | H11 | H12 | 117.3° | 120.1° |
| C07 | C08 | H13 | H14 | 117.9° | 120.1° |
| C08 | C07 | N06 | H18 | 158.8° | 176.8° |
| C07 | N06 | C05 | C04 | 39.4° | 59.3° |
| C07 | N06 | C05 | H18 | 120.7° | 123.9° |
| C07 | N06 | C05 | H9 | 160.3° | 179.3° |
| C07 | N06 | C05 | H10 | 81.5° | 60.7° |
| N06 | C07 | H11 | H12 | 117.2° | 120.0° |
| N06 | C07 | C08 | H13 | 168.6° | 61.5° |
| N06 | C07 | C08 | H14 | 72.8° | 178.4° |
| C04 | C05 | N06 | H9 | 120.9° | 120.0° |
| C04 | C05 | N06 | H10 | 120.9° | 120.0° |
| C05 | C04 | H7 | H8 | 118.6° | 120.1° |
| C04 | C05 | H9 | H10 | 117.2° | 120.1° |
| C04 | C05 | N06 | H18 | 160.0° | 176.8° |
| N06 | C05 | C04 | H7 | 70.4° | 178.3° |
| N06 | C05 | C04 | H8 | 170.5° | 61.6° |
| N06 | C05 | H9 | H10 | 117.2° | 120.0° |
| C05 | N06 | C07 | H11 | 82.8° | 60.7° |
| C05 | N06 | C07 | H12 | 159.0° | 179.3° |
| H1 | C10 | C11 | H15 | 1.1° | 0.3° |
| H2 | C13 | C12 | H16 | 0.8° | 0.3° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H3 | C01 | C02 | H6 | 67.0° | 180.0° |
| H4 | C01 | C02 | H6 | 172.9° | 60.0° |
| H5 | C01 | C02 | H6 | 52.9° | 60.0° |
| H7 | C04 | C05 | H9 | 50.5° | 61.7° |
| H7 | C04 | C05 | H10 | 168.7° | 58.4° |
| H8 | C04 | C05 | H9 | 68.6° | 58.4° |
| H8 | C04 | C05 | H10 | 49.6° | 178.5° |
| H9 | C05 | N06 | H18 | 79.1° | 56.8° |
| H10 | C05 | N06 | H18 | 39.1° | 63.2° |
| H11 | C07 | C08 | H13 | 47.7° | 178.5° |
| H11 | C07 | C08 | H14 | 166.3° | 58.4° |
| H11 | C07 | N06 | H18 | 37.9° | 63.2° |
| H12 | C07 | C08 | H13 | 70.6° | 58.4° |
| H12 | C07 | C08 | H14 | 48.1° | 61.6° |
| H12 | C07 | N06 | H18 | 80.3° | 56.8° |
| H15 | C11 | C12 | H16 | 1.0° | 0.0° |
