GVG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.50Å | 1.49Å | |
| C1 | C3 | sing | 1.49Å | 1.40Å | |
| C3 | C6 | sing | 1.44Å | 1.47Å | |
| C6 | C7 | sing | 1.47Å | 1.39Å | |
| C6 | C8 | doub | 1.36Å | 1.39Å | |
| C7 | C9 | doub | 1.34Å | 1.38Å | |
| C8 | C10 | sing | 1.45Å | 1.38Å | |
| C9 | C11 | sing | 1.45Å | 1.38Å | |
| C10 | C11 | doub | 1.34Å | 1.38Å | |
| C3 | C12 | doub | 1.34Å | 1.39Å | |
| C12 | N13 | sing | 1.36Å | 1.33Å | |
| C1 | N3 | doub | 1.31Å | 1.36Å | |
| N13 | N3 | sing | 1.35Å | 1.35Å | |
| C2 | H2C1 | sing | 1.09Å | 1.10Å | |
| C2 | H2C2 | sing | 1.09Å | 1.10Å | |
| C2 | H2C3 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N13 | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 133.3° | 123.1° |
| C2 | C1 | N3 | 120.5° | 122.1° |
| C1 | C2 | H2C1 | 109.5° | 110.9° |
| C1 | C2 | H2C2 | 109.5° | 109.8° |
| C1 | C2 | H2C3 | 109.5° | 109.4° |
| C1 | C3 | C6 | 129.6° | 129.7° |
| C1 | C3 | C12 | 105.0° | 98.8° |
| C3 | C1 | N3 | 106.2° | 114.8° |
| C3 | C6 | C7 | 120.7° | 123.3° |
| C3 | C6 | C8 | 120.5° | 108.5° |
| C6 | C3 | C12 | 125.3° | 131.5° |
| C7 | C6 | C8 | 118.7° | 117.1° |
| C6 | C7 | C9 | 120.4° | 121.4° |
| C6 | C7 | H7 | 119.8° | 118.7° |
| C6 | C8 | C10 | 120.5° | 121.5° |
| C6 | C8 | H8 | 119.8° | 122.3° |
| C7 | C9 | C11 | 120.2° | 120.1° |
| C9 | C7 | H7 | 119.8° | 119.9° |
| C7 | C9 | H9 | 119.9° | 121.4° |
| C8 | C10 | C11 | 120.1° | 120.2° |
| C10 | C8 | H8 | 119.8° | 116.2° |
| C8 | C10 | H10 | 120.0° | 118.4° |
| C9 | C11 | C10 | 120.0° | 119.6° |
| C11 | C9 | H9 | 119.9° | 118.5° |
| C9 | C11 | H11 | 120.0° | 118.8° |
| C11 | C10 | H10 | 119.9° | 109.9° |
| C10 | C11 | H11 | 120.0° | 110.1° |
| C3 | C12 | N13 | 111.5° | 111.6° |
| C3 | C12 | H12 | 124.2° | 128.9° |
| C12 | N13 | N3 | 105.6° | 112.3° |
| N13 | C12 | H12 | 124.2° | 119.5° |
| C12 | N13 | H13 | 127.2° | 123.4° |
| C1 | N3 | N13 | 111.6° | 102.5° |
| N3 | N13 | H13 | 127.2° | 124.3° |
| H2C1 | C2 | H2C2 | 109.5° | 108.3° |
| H2C1 | C2 | H2C3 | 109.4° | 109.8° |
| H2C2 | C2 | H2C3 | 109.5° | 108.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | N3 | 178.7° | 179.9° |
| C2 | C1 | C3 | C6 | 1.9° | 1.9° |
| C2 | C1 | C3 | C12 | 179.2° | 178.7° |
| C2 | C1 | N3 | N13 | 179.7° | 178.9° |
| C1 | C2 | H2C1 | H2C2 | 120.0° | 120.5° |
| C1 | C2 | H2C1 | H2C3 | 120.0° | 120.9° |
| C1 | C2 | H2C2 | H2C3 | 120.0° | 119.6° |
| C1 | C3 | C6 | C12 | 176.8° | 179.1° |
| C1 | C3 | C6 | C7 | 22.5° | 38.8° |
| C1 | C3 | C6 | C8 | 160.2° | 103.8° |
| C1 | C3 | C12 | N13 | 0.1° | 0.8° |
| C3 | C1 | N3 | N13 | 0.8° | 1.0° |
| C3 | C1 | C2 | H2C1 | 83.3° | 34.8° |
| C3 | C1 | C2 | H2C2 | 36.7° | 154.4° |
| C3 | C1 | C2 | H2C3 | 156.7° | 86.4° |
| C1 | C3 | C12 | H12 | 179.9° | 179.6° |
| C3 | C6 | C7 | C8 | 177.4° | 139.7° |
| C3 | C6 | C7 | C9 | 179.4° | 139.3° |
| C3 | C6 | C8 | C10 | 179.2° | 144.9° |
| C6 | C3 | C12 | N13 | 177.4° | 178.5° |
| C6 | C3 | C1 | N3 | 176.8° | 178.2° |
| C6 | C3 | C12 | H12 | 2.6° | 0.2° |
| C3 | C6 | C7 | H7 | 0.6° | 41.6° |
| C3 | C6 | C8 | H8 | 0.8° | 34.3° |
| C6 | C7 | C9 | H7 | 180.0° | 179.1° |
| C7 | C6 | C8 | C10 | 1.8° | 0.4° |
| C6 | C7 | C9 | C11 | 2.1° | 0.1° |
| C7 | C6 | C3 | C12 | 154.4° | 140.3° |
| C7 | C6 | C8 | H8 | 178.2° | 179.6° |
| C6 | C7 | C9 | H9 | 177.9° | 179.6° |
| C8 | C6 | C7 | C9 | 2.0° | 0.5° |
| C6 | C8 | C10 | H8 | 180.0° | 179.3° |
| C6 | C8 | C10 | C11 | 1.7° | 0.0° |
| C8 | C6 | C3 | C12 | 23.0° | 77.0° |
| C8 | C6 | C7 | H7 | 178.1° | 178.6° |
| C6 | C8 | C10 | H10 | 178.3° | 139.8° |
| C7 | C9 | C11 | H9 | 180.0° | 179.5° |
| C7 | C9 | C11 | C10 | 2.0° | 0.3° |
| C7 | C9 | C11 | H11 | 178.0° | 140.0° |
| C8 | C10 | C11 | C9 | 1.8° | 0.4° |
| C8 | C10 | C11 | H10 | 180.0° | 142.8° |
| C8 | C10 | C11 | H11 | 178.2° | 143.2° |
| C9 | C11 | C10 | H11 | 180.0° | 142.8° |
| C11 | C9 | C7 | H7 | 178.0° | 179.0° |
| C9 | C11 | C10 | H10 | 178.2° | 143.2° |
| C11 | C10 | C8 | H8 | 178.3° | 179.3° |
| C10 | C11 | C9 | H9 | 178.0° | 179.2° |
| C3 | C12 | N13 | H12 | 180.0° | 178.9° |
| C12 | C3 | C1 | N3 | 0.5° | 1.2° |
| C3 | C12 | N13 | N3 | 0.4° | 0.4° |
| C3 | C12 | N13 | H13 | 179.6° | 179.0° |
| C12 | N13 | N3 | C1 | 0.7° | 0.4° |
| C12 | N13 | N3 | H13 | 180.0° | 179.3° |
| N3 | C1 | C2 | H2C1 | 98.1° | 145.1° |
| N3 | C1 | C2 | H2C2 | 141.9° | 25.5° |
| N3 | C1 | C2 | H2C3 | 21.9° | 93.7° |
| C1 | N3 | N13 | H13 | 179.3° | 179.7° |
| N3 | N13 | C12 | H12 | 179.6° | 179.2° |
| H2C1 | C2 | H2C2 | H2C3 | 120.0° | 119.2° |
| H12 | C12 | N13 | H13 | 0.4° | 0.1° |
| H7 | C7 | C9 | H9 | 2.0° | 0.5° |
| H8 | C8 | C10 | H10 | 1.7° | 39.5° |
| H9 | C9 | C11 | H11 | 2.0° | 39.5° |
| H10 | C10 | C11 | H11 | 1.8° | 73.9° |
