GVI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.36Å | 1.32Å | |
| C2 | N3 | doub | 1.35Å | 1.32Å | |
| N3 | C4 | sing | 1.34Å | 1.33Å | |
| C4 | C5 | doub | 1.38Å | 1.41Å | |
| C5 | N7 | sing | 1.37Å | 1.35Å | |
| N7 | C8 | doub | 1.32Å | 1.30Å | |
| C4 | N9 | sing | 1.37Å | 1.37Å | |
| C8 | N9 | sing | 1.37Å | 1.36Å | |
| C9 | C10 | sing | 1.49Å | 1.50Å | |
| C10 | C11 | sing | 1.39Å | 1.38Å | |
| C11 | C12 | doub | 1.39Å | 1.38Å | |
| C12 | C13 | sing | 1.40Å | 1.40Å | |
| C13 | C14 | doub | 1.40Å | 1.40Å | |
| C10 | C15 | doub | 1.39Å | 1.39Å | |
| C14 | C15 | sing | 1.39Å | 1.38Å | |
| C9 | N10 | sing | 1.44Å | 1.47Å | |
| N1 | C16 | doub | 1.36Å | 1.34Å | |
| C5 | C16 | sing | 1.39Å | 1.42Å | |
| C13 | C16 | sing | 1.43Å | 1.49Å | |
| N10 | C1 | sing | 1.46Å | 1.48Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N9 | H9 | sing | 1.01Å | 1.00Å | |
| C9 | H9C1 | sing | 1.10Å | 1.10Å | |
| C9 | H9C2 | sing | 1.10Å | 1.10Å | |
| N10 | H10 | sing | 1.02Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C1 | H1C1 | sing | 1.09Å | 1.10Å | |
| C1 | H1C2 | sing | 1.09Å | 1.10Å | |
| C1 | H1C3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N3 | 121.9° | 128.8° |
| C2 | N1 | C16 | 122.2° | 117.5° |
| N1 | C2 | H2 | 119.1° | 115.5° |
| C2 | N3 | C4 | 121.1° | 110.5° |
| N3 | C2 | H2 | 119.0° | 115.6° |
| N3 | C4 | C5 | 119.4° | 127.3° |
| N3 | C4 | N9 | 134.5° | 127.6° |
| C4 | C5 | N7 | 106.4° | 110.8° |
| C5 | C4 | N9 | 106.1° | 105.2° |
| C4 | C5 | C16 | 117.8° | 116.9° |
| C5 | N7 | C8 | 110.0° | 104.9° |
| N7 | C5 | C16 | 135.9° | 132.4° |
| N7 | C8 | N9 | 109.9° | 112.1° |
| N7 | C8 | H8 | 125.0° | 126.0° |
| C4 | N9 | C8 | 107.6° | 107.1° |
| C4 | N9 | H9 | 126.2° | 126.6° |
| C8 | N9 | H9 | 126.2° | 126.4° |
| N9 | C8 | H8 | 125.1° | 121.9° |
| C9 | C10 | C11 | 119.7° | 120.0° |
| C9 | C10 | C15 | 119.9° | 120.0° |
| C10 | C9 | N10 | 107.3° | 112.4° |
| C10 | C9 | H9C1 | 110.2° | 111.1° |
| C10 | C9 | H9C2 | 110.7° | 111.5° |
| C10 | C11 | C12 | 119.8° | 120.0° |
| C11 | C10 | C15 | 120.4° | 120.0° |
| C10 | C11 | H11 | 120.1° | 120.5° |
| C11 | C12 | C13 | 120.7° | 120.5° |
| C12 | C11 | H11 | 120.1° | 119.5° |
| C11 | C12 | H12 | 119.7° | 119.2° |
| C12 | C13 | C14 | 118.6° | 119.1° |
| C12 | C13 | C16 | 119.3° | 120.5° |
| C13 | C12 | H12 | 119.6° | 120.4° |
| C13 | C14 | C15 | 120.4° | 120.5° |
| C14 | C13 | C16 | 122.0° | 120.4° |
| C13 | C14 | H14 | 119.8° | 120.4° |
| C10 | C15 | C14 | 120.1° | 120.0° |
| C10 | C15 | H15 | 120.0° | 120.5° |
| C14 | C15 | H15 | 119.9° | 119.5° |
| C15 | C14 | H14 | 119.8° | 119.1° |
| C9 | N10 | C1 | 111.6° | 111.6° |
| N10 | C9 | H9C1 | 110.2° | 107.4° |
| N10 | C9 | H9C2 | 110.7° | 107.3° |
| C9 | N10 | H10 | 108.8° | 110.1° |
| N1 | C16 | C5 | 117.7° | 119.1° |
| N1 | C16 | C13 | 119.1° | 118.8° |
| C5 | C16 | C13 | 123.1° | 122.2° |
| C1 | N10 | H10 | 108.8° | 108.4° |
| N10 | C1 | H1C1 | 109.5° | 110.1° |
| N10 | C1 | H1C2 | 109.5° | 110.2° |
| N10 | C1 | H1C3 | 109.5° | 110.2° |
| H9C1 | C9 | H9C2 | 107.8° | 106.8° |
| H1C1 | C1 | H1C2 | 109.5° | 108.8° |
| H1C1 | C1 | H1C3 | 109.4° | 108.8° |
| H1C2 | C1 | H1C3 | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.0° | 0.1° |
| C2 | N1 | C16 | C5 | 1.2° | 0.0° |
| C2 | N1 | C16 | C13 | 179.3° | 179.9° |
| C2 | N3 | C4 | C5 | 0.2° | 0.0° |
| C2 | N3 | C4 | N9 | 179.9° | 179.9° |
| N3 | C2 | N1 | C16 | 0.8° | 0.0° |
| N3 | C4 | C5 | N9 | 179.8° | 179.9° |
| N3 | C4 | C5 | N7 | 179.8° | 180.0° |
| N3 | C4 | N9 | C8 | 179.7° | 180.0° |
| N3 | C4 | C5 | C16 | 0.3° | 0.0° |
| C4 | N3 | C2 | H2 | 179.9° | 179.9° |
| N3 | C4 | N9 | H9 | 0.3° | 0.2° |
| C4 | C5 | N7 | C16 | 179.4° | 180.0° |
| C4 | C5 | N7 | C8 | 0.0° | 0.0° |
| C5 | C4 | N9 | C8 | 0.1° | 0.1° |
| C4 | C5 | C16 | N1 | 0.9° | 0.1° |
| C4 | C5 | C16 | C13 | 178.9° | 179.9° |
| C5 | C4 | N9 | H9 | 179.9° | 179.9° |
| N7 | C5 | C4 | N9 | 0.0° | 0.0° |
| C5 | N7 | C8 | N9 | 0.1° | 0.1° |
| N7 | C5 | C16 | N1 | 179.7° | 179.9° |
| N7 | C5 | C16 | C13 | 1.7° | 0.1° |
| C5 | N7 | C8 | H8 | 179.9° | 180.0° |
| N7 | C8 | N9 | C4 | 0.1° | 0.1° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| C8 | N7 | C5 | C16 | 179.4° | 180.0° |
| N7 | C8 | N9 | H9 | 179.9° | 179.9° |
| C4 | N9 | C8 | H9 | 180.0° | 179.8° |
| N9 | C4 | C5 | C16 | 179.6° | 180.0° |
| C4 | N9 | C8 | H8 | 179.9° | 179.9° |
| C9 | C10 | C11 | C15 | 179.3° | 179.9° |
| C9 | C10 | C11 | C12 | 179.6° | 180.0° |
| C9 | C10 | C15 | C14 | 179.5° | 180.0° |
| C10 | C9 | N10 | H9C1 | 120.0° | 122.5° |
| C10 | C9 | N10 | H9C2 | 120.8° | 122.9° |
| C10 | C9 | N10 | C1 | 160.1° | 179.6° |
| C10 | C9 | H9C1 | H9C2 | 120.9° | 121.8° |
| C10 | C9 | N10 | H10 | 79.9° | 60.0° |
| C9 | C10 | C11 | H11 | 0.4° | 0.1° |
| C9 | C10 | C15 | H15 | 0.4° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C15 | C14 | 0.3° | 0.0° |
| C11 | C10 | C9 | N10 | 76.8° | 90.0° |
| C11 | C10 | C9 | H9C1 | 163.3° | 30.5° |
| C11 | C10 | C9 | H9C2 | 44.1° | 149.5° |
| C11 | C10 | C15 | H15 | 179.7° | 179.9° |
| C10 | C11 | C12 | H12 | 179.9° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.6° | 0.0° |
| C12 | C11 | C10 | C15 | 0.3° | 0.0° |
| C11 | C12 | C13 | C16 | 179.0° | 180.0° |
| C12 | C13 | C14 | C16 | 178.4° | 179.9° |
| C12 | C13 | C14 | C15 | 0.7° | 0.0° |
| C12 | C13 | C16 | N1 | 2.2° | 89.8° |
| C12 | C13 | C16 | C5 | 175.8° | 90.0° |
| C13 | C12 | C11 | H11 | 179.9° | 179.9° |
| C12 | C13 | C14 | H14 | 179.3° | 179.9° |
| C13 | C14 | C15 | C10 | 0.3° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C14 | C13 | C16 | N1 | 179.4° | 90.1° |
| C14 | C13 | C16 | C5 | 2.6° | 90.1° |
| C13 | C14 | C15 | H15 | 179.7° | 179.9° |
| C14 | C13 | C12 | H12 | 179.4° | 179.9° |
| C10 | C15 | C14 | H15 | 180.0° | 180.0° |
| C15 | C10 | C9 | N10 | 102.5° | 90.0° |
| C15 | C10 | C9 | H9C1 | 17.5° | 149.6° |
| C15 | C10 | C9 | H9C2 | 136.6° | 30.6° |
| C15 | C10 | C11 | H11 | 179.7° | 179.9° |
| C10 | C15 | C14 | H14 | 179.7° | 179.9° |
| C15 | C14 | C13 | C16 | 179.1° | 180.0° |
| C9 | N10 | C1 | H10 | 120.0° | 121.4° |
| N10 | C9 | H9C1 | H9C2 | 120.9° | 114.9° |
| C9 | N10 | C1 | H1C1 | 78.3° | 42.2° |
| C9 | N10 | C1 | H1C2 | 41.7° | 162.2° |
| C9 | N10 | C1 | H1C3 | 161.7° | 77.8° |
| N1 | C16 | C5 | C13 | 178.0° | 179.8° |
| C16 | N1 | C2 | H2 | 179.2° | 179.9° |
| C16 | C13 | C12 | H12 | 1.0° | 0.1° |
| C16 | C13 | C14 | H14 | 0.9° | 0.0° |
| C1 | N10 | C9 | H9C1 | 40.2° | 57.9° |
| C1 | N10 | C9 | H9C2 | 79.0° | 56.6° |
| N10 | C1 | H1C1 | H1C2 | 120.0° | 120.9° |
| N10 | C1 | H1C1 | H1C3 | 120.0° | 120.9° |
| N10 | C1 | H1C2 | H1C3 | 120.0° | 120.9° |
| H9 | N9 | C8 | H8 | 0.1° | 0.1° |
| H9C1 | C9 | N10 | H10 | 160.2° | 62.6° |
| H9C2 | C9 | N10 | H10 | 41.0° | 177.1° |
| H10 | N10 | C1 | H1C1 | 161.7° | 79.2° |
| H10 | N10 | C1 | H1C2 | 78.3° | 40.8° |
| H10 | N10 | C1 | H1C3 | 41.7° | 160.8° |
| H11 | C11 | C12 | H12 | 0.1° | 0.2° |
| H15 | C15 | C14 | H14 | 0.3° | 0.1° |
| H1C1 | C1 | H1C2 | H1C3 | 119.9° | 118.3° |
