GWV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N1 | sing | 1.46Å | 1.48Å | |
| N1 | C11 | sing | 1.46Å | 1.49Å | |
| N1 | C7 | sing | 1.40Å | 1.44Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C1 | N | sing | 1.47Å | 1.50Å | |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| N | C3 | sing | 1.47Å | 1.50Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| N | H13 | sing | 1.01Å | 1.00Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N1 | C11 | 111.6° | 120.0° |
| C10 | N1 | C7 | 124.0° | 120.0° |
| N1 | C10 | H4 | 109.5° | 109.5° |
| N1 | C10 | H5 | 109.5° | 109.5° |
| N1 | C10 | H6 | 109.5° | 109.5° |
| C11 | N1 | C7 | 118.0° | 120.0° |
| N1 | C11 | H7 | 109.5° | 109.5° |
| N1 | C11 | H8 | 109.5° | 109.5° |
| N1 | C11 | H9 | 109.5° | 109.4° |
| N1 | C7 | C6 | 123.1° | 120.0° |
| N1 | C7 | C8 | 118.0° | 120.1° |
| C7 | C6 | C5 | 120.5° | 119.9° |
| C6 | C7 | C8 | 118.8° | 119.9° |
| C7 | C6 | H2 | 119.7° | 120.1° |
| C6 | C5 | C4 | 121.5° | 120.1° |
| C6 | C5 | H1 | 119.3° | 120.0° |
| C5 | C6 | H2 | 119.7° | 120.0° |
| C2 | C1 | C | 108.3° | 109.5° |
| C2 | C1 | N | 107.6° | 109.4° |
| C2 | C1 | H15 | 108.0° | 109.4° |
| C1 | C2 | H16 | 109.5° | 109.5° |
| C1 | C2 | H17 | 109.5° | 109.5° |
| C1 | C2 | H18 | 109.5° | 109.5° |
| C7 | C8 | C9 | 119.8° | 119.9° |
| C7 | C8 | H3 | 120.1° | 120.0° |
| C5 | C4 | C9 | 118.9° | 120.2° |
| C5 | C4 | C3 | 119.5° | 119.9° |
| C4 | C5 | H1 | 119.2° | 120.0° |
| C | C1 | N | 116.4° | 109.5° |
| C | C1 | H15 | 107.9° | 109.5° |
| C1 | C | H19 | 109.5° | 109.5° |
| C1 | C | H20 | 109.5° | 109.5° |
| C1 | C | H21 | 109.5° | 109.5° |
| C1 | N | C3 | 117.9° | 111.0° |
| C1 | N | H13 | 107.3° | 111.0° |
| N | C1 | H15 | 108.5° | 109.5° |
| C8 | C9 | C4 | 120.3° | 120.1° |
| C9 | C8 | H3 | 120.1° | 120.0° |
| C8 | C9 | H10 | 119.9° | 120.0° |
| C9 | C4 | C3 | 121.5° | 119.9° |
| C4 | C9 | H10 | 119.8° | 119.9° |
| C4 | C3 | N | 110.3° | 109.5° |
| C4 | C3 | H11 | 109.2° | 109.4° |
| C4 | C3 | H12 | 109.3° | 109.5° |
| N | C3 | H11 | 109.3° | 109.5° |
| N | C3 | H12 | 109.3° | 109.5° |
| C3 | N | H13 | 107.3° | 111.0° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.4° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H7 | C11 | H9 | 109.4° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.4° |
| H11 | C3 | H12 | 109.5° | 109.5° |
| H16 | C2 | H17 | 109.5° | 109.4° |
| H16 | C2 | H18 | 109.5° | 109.4° |
| H17 | C2 | H18 | 109.4° | 109.4° |
| H19 | C | H20 | 109.5° | 109.5° |
| H19 | C | H21 | 109.5° | 109.5° |
| H20 | C | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N1 | C11 | C7 | 153.1° | 179.7° |
| C10 | N1 | C7 | C6 | 45.4° | 179.7° |
| C10 | N1 | C7 | C8 | 138.0° | 0.3° |
| N1 | C10 | H4 | H5 | 120.0° | 120.0° |
| N1 | C10 | H4 | H6 | 120.0° | 120.0° |
| N1 | C10 | H5 | H6 | 120.0° | 120.0° |
| C10 | N1 | C11 | H7 | 180.0° | 90.3° |
| C10 | N1 | C11 | H8 | 60.0° | 29.7° |
| C10 | N1 | C11 | H9 | 60.0° | 149.7° |
| C11 | N1 | C7 | C6 | 165.1° | 0.0° |
| C11 | N1 | C7 | C8 | 11.6° | 180.0° |
| C11 | N1 | C10 | H4 | 180.0° | 0.0° |
| C11 | N1 | C10 | H5 | 60.0° | 120.0° |
| C11 | N1 | C10 | H6 | 60.0° | 120.0° |
| N1 | C11 | H7 | H8 | 120.0° | 120.1° |
| N1 | C11 | H7 | H9 | 120.0° | 120.0° |
| N1 | C11 | H8 | H9 | 120.0° | 119.9° |
| N1 | C7 | C6 | C8 | 176.6° | 180.0° |
| N1 | C7 | C6 | C5 | 175.0° | 180.0° |
| N1 | C7 | C8 | C9 | 174.5° | 180.0° |
| N1 | C7 | C6 | H2 | 5.0° | 0.0° |
| N1 | C7 | C8 | H3 | 5.5° | 0.0° |
| C7 | N1 | C10 | H4 | 28.8° | 179.7° |
| C7 | N1 | C10 | H5 | 148.8° | 60.3° |
| C7 | N1 | C10 | H6 | 91.2° | 59.7° |
| C7 | N1 | C11 | H7 | 26.9° | 90.0° |
| C7 | N1 | C11 | H8 | 93.1° | 149.9° |
| C7 | N1 | C11 | H9 | 146.9° | 30.0° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.5° | 0.0° |
| C6 | C7 | C8 | C9 | 2.3° | 0.0° |
| C7 | C6 | C5 | H1 | 179.5° | 180.0° |
| C6 | C7 | C8 | H3 | 177.7° | 180.0° |
| C5 | C6 | C7 | C8 | 1.7° | 0.0° |
| C6 | C5 | C4 | H1 | 180.0° | 179.9° |
| C6 | C5 | C4 | C9 | 2.0° | 0.0° |
| C6 | C5 | C4 | C3 | 175.4° | 179.7° |
| C2 | C1 | C | N | 121.3° | 120.0° |
| C2 | C1 | C | H15 | 116.6° | 120.0° |
| C2 | C1 | N | H15 | 116.6° | 120.0° |
| C2 | C1 | N | C3 | 76.5° | 85.0° |
| C2 | C1 | N | H13 | 44.7° | 151.1° |
| C1 | C2 | H16 | H17 | 120.0° | 120.0° |
| C1 | C2 | H16 | H18 | 120.0° | 120.1° |
| C1 | C2 | H17 | H18 | 120.0° | 120.0° |
| C2 | C1 | C | H19 | 180.0° | 180.0° |
| C2 | C1 | C | H20 | 60.0° | 60.0° |
| C2 | C1 | C | H21 | 60.0° | 60.0° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C7 | C8 | C9 | C4 | 0.8° | 0.0° |
| C8 | C7 | C6 | H2 | 178.3° | 180.0° |
| C7 | C8 | C9 | H10 | 179.2° | 179.7° |
| C5 | C4 | C9 | C8 | 1.3° | 0.0° |
| C5 | C4 | C9 | C3 | 177.4° | 179.7° |
| C5 | C4 | C3 | N | 105.8° | 89.7° |
| C4 | C5 | C6 | H2 | 179.5° | 180.0° |
| C5 | C4 | C9 | H10 | 178.7° | 179.7° |
| C5 | C4 | C3 | H11 | 14.4° | 30.3° |
| C5 | C4 | C3 | H12 | 134.1° | 150.3° |
| C | C1 | N | H15 | 121.8° | 120.1° |
| C | C1 | N | C3 | 45.1° | 155.0° |
| C | C1 | N | H13 | 166.3° | 31.1° |
| C | C1 | C2 | H16 | 180.0° | 180.0° |
| C | C1 | C2 | H17 | 60.0° | 60.0° |
| C | C1 | C2 | H18 | 60.0° | 60.0° |
| C1 | C | H19 | H20 | 120.0° | 120.0° |
| C1 | C | H19 | H21 | 120.0° | 120.0° |
| C1 | C | H20 | H21 | 120.0° | 120.0° |
| C1 | N | C3 | C4 | 77.6° | 179.9° |
| C1 | N | C3 | H13 | 121.2° | 123.9° |
| C1 | N | C3 | H11 | 42.5° | 60.0° |
| C1 | N | C3 | H12 | 162.3° | 60.1° |
| N | C1 | C2 | H16 | 53.4° | 60.0° |
| N | C1 | C2 | H17 | 66.6° | 60.0° |
| N | C1 | C2 | H18 | 173.5° | 180.0° |
| N | C1 | C | H19 | 58.7° | 60.0° |
| N | C1 | C | H20 | 178.7° | 180.0° |
| N | C1 | C | H21 | 61.3° | 60.0° |
| C8 | C9 | C4 | H10 | 180.0° | 179.8° |
| C8 | C9 | C4 | C3 | 176.1° | 179.7° |
| C9 | C4 | C3 | N | 71.6° | 90.0° |
| C9 | C4 | C5 | H1 | 178.0° | 180.0° |
| C4 | C9 | C8 | H3 | 179.2° | 180.0° |
| C9 | C4 | C3 | H11 | 168.2° | 150.0° |
| C9 | C4 | C3 | H12 | 48.5° | 30.0° |
| C4 | C3 | N | H11 | 120.1° | 119.9° |
| C4 | C3 | N | H12 | 120.1° | 120.0° |
| C3 | C4 | C5 | H1 | 4.6° | 0.3° |
| C3 | C4 | C9 | H10 | 3.9° | 0.0° |
| C4 | C3 | H11 | H12 | 119.6° | 120.0° |
| C4 | C3 | N | H13 | 43.6° | 56.0° |
| N | C3 | H11 | H12 | 119.7° | 120.1° |
| C3 | N | C1 | H15 | 166.9° | 34.9° |
| H1 | C5 | C6 | H2 | 0.5° | 0.1° |
| H3 | C8 | C9 | H10 | 0.8° | 0.2° |
| H4 | C10 | H5 | H6 | 120.0° | 120.0° |
| H7 | C11 | H8 | H9 | 120.0° | 120.0° |
| H11 | C3 | N | H13 | 163.7° | 63.9° |
| H12 | C3 | N | H13 | 76.5° | 176.0° |
| H13 | N | C1 | H15 | 71.9° | 89.0° |
| H15 | C1 | C2 | H16 | 63.4° | 60.0° |
| H15 | C1 | C2 | H17 | 176.5° | 180.0° |
| H15 | C1 | C2 | H18 | 56.6° | 60.0° |
| H15 | C1 | C | H19 | 63.4° | 60.0° |
| H15 | C1 | C | H20 | 56.6° | 60.0° |
| H15 | C1 | C | H21 | 176.6° | 180.0° |
| H16 | C2 | H17 | H18 | 120.0° | 119.9° |
| H19 | C | H20 | H21 | 120.0° | 120.0° |
