GVO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.45Å | 1.47Å | |
| C2 | C3 | sing | 1.56Å | 1.55Å | |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| C4 | C5 | sing | 1.37Å | 1.39Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | |
| C6 | C7 | sing | 1.40Å | 1.38Å | |
| C7 | CL8 | sing | 1.72Å | 1.74Å | |
| C7 | C9 | doub | 1.39Å | 1.39Å | |
| C4 | C10 | doub | 1.37Å | 1.39Å | |
| C9 | C10 | sing | 1.40Å | 1.40Å | |
| C3 | C11 | sing | 1.49Å | 1.52Å | |
| C11 | C12 | sing | 1.39Å | 1.39Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | |
| C13 | C14 | sing | 1.39Å | 1.40Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | |
| C11 | C16 | doub | 1.40Å | 1.39Å | |
| C15 | C16 | sing | 1.39Å | 1.39Å | |
| C14 | C17 | sing | 1.44Å | 1.49Å | |
| C17 | C18 | sing | 1.40Å | 1.41Å | |
| C18 | N19 | doub | 1.34Å | 1.30Å | |
| N19 | N20 | sing | 1.34Å | 1.40Å | |
| C17 | C21 | doub | 1.37Å | 1.36Å | |
| N20 | C21 | sing | 1.36Å | 1.33Å | |
| N1 | H1N1 | sing | 1.00Å | 1.00Å | |
| N1 | H1N2 | sing | 1.00Å | 1.00Å | |
| C2 | H2C1 | sing | 1.10Å | 1.10Å | |
| C2 | H2C2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.11Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| N20 | H20 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | C3 | 114.0° | 111.5° |
| C2 | N1 | H1N1 | 109.5° | 118.8° |
| C2 | N1 | H1N2 | 109.5° | 118.8° |
| N1 | C2 | H2C1 | 108.0° | 108.1° |
| N1 | C2 | H2C2 | 107.0° | 108.7° |
| C2 | C3 | C4 | 105.6° | 110.7° |
| C2 | C3 | C11 | 101.3° | 114.7° |
| C3 | C2 | H2C1 | 108.0° | 109.2° |
| C3 | C2 | H2C2 | 107.0° | 112.2° |
| C2 | C3 | H3 | 121.8° | 103.9° |
| C3 | C4 | C5 | 122.4° | 118.3° |
| C3 | C4 | C10 | 119.2° | 118.3° |
| C4 | C3 | C11 | 121.4° | 112.7° |
| C4 | C3 | H3 | 102.0° | 106.0° |
| C4 | C5 | C6 | 121.1° | 118.3° |
| C5 | C4 | C10 | 118.3° | 123.3° |
| C4 | C5 | H5 | 119.5° | 122.1° |
| C5 | C6 | C7 | 120.5° | 120.0° |
| C6 | C5 | H5 | 119.5° | 119.5° |
| C5 | C6 | H6 | 119.8° | 119.2° |
| C6 | C7 | CL8 | 119.2° | 120.0° |
| C6 | C7 | C9 | 119.1° | 120.0° |
| C7 | C6 | H6 | 119.8° | 120.8° |
| CL8 | C7 | C9 | 121.7° | 120.0° |
| C7 | C9 | C10 | 120.3° | 120.0° |
| C7 | C9 | H9 | 119.9° | 120.8° |
| C4 | C10 | C9 | 120.8° | 118.3° |
| C4 | C10 | H10 | 119.6° | 122.2° |
| C9 | C10 | H10 | 119.6° | 119.5° |
| C10 | C9 | H9 | 119.8° | 119.2° |
| C3 | C11 | C12 | 116.1° | 120.0° |
| C3 | C11 | C16 | 125.1° | 120.0° |
| C11 | C3 | H3 | 106.2° | 108.1° |
| C11 | C12 | C13 | 120.9° | 120.0° |
| C12 | C11 | C16 | 118.6° | 120.0° |
| C11 | C12 | H12 | 119.5° | 120.5° |
| C12 | C13 | C14 | 120.4° | 120.0° |
| C13 | C12 | H12 | 119.5° | 119.5° |
| C12 | C13 | H13 | 119.8° | 119.1° |
| C13 | C14 | C15 | 118.5° | 120.0° |
| C13 | C14 | C17 | 119.5° | 120.0° |
| C14 | C13 | H13 | 119.8° | 121.0° |
| C14 | C15 | C16 | 120.5° | 120.0° |
| C15 | C14 | C17 | 121.9° | 120.0° |
| C14 | C15 | H15 | 119.7° | 120.9° |
| C11 | C16 | C15 | 120.9° | 120.0° |
| C11 | C16 | H16 | 119.5° | 120.5° |
| C15 | C16 | H16 | 119.6° | 119.5° |
| C16 | C15 | H15 | 119.7° | 119.1° |
| C14 | C17 | C18 | 126.0° | 131.1° |
| C14 | C17 | C21 | 126.9° | 123.9° |
| C17 | C18 | N19 | 108.6° | 112.5° |
| C18 | C17 | C21 | 106.7° | 104.9° |
| C17 | C18 | H18 | 125.7° | 128.8° |
| C18 | N19 | N20 | 107.9° | 103.1° |
| N19 | C18 | H18 | 125.7° | 118.7° |
| N19 | N20 | C21 | 108.7° | 113.9° |
| N19 | N20 | H20 | 125.6° | 118.2° |
| C17 | C21 | N20 | 108.0° | 105.6° |
| C17 | C21 | H21 | 126.0° | 133.0° |
| N20 | C21 | H21 | 126.0° | 121.3° |
| C21 | N20 | H20 | 125.6° | 127.9° |
| H1N1 | N1 | H1N2 | 109.5° | 121.1° |
| H2C1 | C2 | H2C2 | 113.0° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | H2C1 | 120.0° | 119.4° |
| N1 | C2 | C3 | H2C2 | 118.0° | 122.2° |
| N1 | C2 | C3 | C4 | 56.7° | 170.6° |
| N1 | C2 | C3 | C11 | 175.9° | 60.5° |
| C2 | N1 | H1N1 | H1N2 | 120.0° | 166.3° |
| N1 | C2 | H2C1 | H2C2 | 118.2° | 116.9° |
| N1 | C2 | C3 | H3 | 58.6° | 57.3° |
| C2 | C3 | C4 | C11 | 114.2° | 129.9° |
| C2 | C3 | C4 | H3 | 128.2° | 112.1° |
| C2 | C3 | C4 | C5 | 55.3° | 150.0° |
| C2 | C3 | C4 | C10 | 120.7° | 30.0° |
| C2 | C3 | C11 | H3 | 128.2° | 115.4° |
| C2 | C3 | C11 | C12 | 76.6° | 115.4° |
| C2 | C3 | C11 | C16 | 99.1° | 64.6° |
| C3 | C2 | N1 | H1N1 | 92.7° | 144.5° |
| C3 | C2 | N1 | H1N2 | 27.3° | 48.9° |
| C3 | C2 | H2C1 | H2C2 | 118.1° | 121.6° |
| C3 | C4 | C5 | C10 | 176.1° | 180.0° |
| C3 | C4 | C5 | C6 | 177.9° | 180.0° |
| C3 | C4 | C10 | C9 | 178.1° | 180.0° |
| C4 | C3 | C11 | H3 | 115.5° | 116.8° |
| C4 | C3 | C11 | C12 | 167.1° | 116.8° |
| C4 | C3 | C11 | C16 | 17.2° | 63.2° |
| C4 | C3 | C2 | H2C1 | 176.7° | 51.2° |
| C4 | C3 | C2 | H2C2 | 61.3° | 67.1° |
| C3 | C4 | C5 | H5 | 2.1° | 0.0° |
| C3 | C4 | C10 | H10 | 1.9° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 1.0° | 0.0° |
| C5 | C4 | C10 | C9 | 1.9° | 0.1° |
| C5 | C4 | C3 | C11 | 58.8° | 80.1° |
| C5 | C4 | C3 | H3 | 176.4° | 37.9° |
| C5 | C4 | C10 | H10 | 178.1° | 180.0° |
| C4 | C5 | C6 | H6 | 179.0° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | CL8 | 179.9° | 180.0° |
| C5 | C6 | C7 | C9 | 0.2° | 0.0° |
| C6 | C5 | C4 | C10 | 1.8° | 0.0° |
| C6 | C7 | CL8 | C9 | 179.6° | 180.0° |
| C6 | C7 | C9 | C10 | 0.3° | 0.0° |
| C7 | C6 | C5 | H5 | 179.0° | 180.0° |
| C6 | C7 | C9 | H9 | 179.7° | 180.0° |
| CL8 | C7 | C9 | C10 | 179.9° | 180.0° |
| CL8 | C7 | C6 | H6 | 0.2° | 0.0° |
| CL8 | C7 | C9 | H9 | 0.1° | 0.0° |
| C7 | C9 | C10 | C4 | 1.2° | 0.0° |
| C7 | C9 | C10 | H9 | 180.0° | 180.0° |
| C7 | C9 | C10 | H10 | 178.8° | 180.0° |
| C9 | C7 | C6 | H6 | 179.8° | 180.0° |
| C4 | C10 | C9 | H10 | 180.0° | 179.9° |
| C10 | C4 | C3 | C11 | 125.1° | 99.9° |
| C10 | C4 | C3 | H3 | 7.5° | 142.0° |
| C10 | C4 | C5 | H5 | 178.1° | 180.0° |
| C4 | C10 | C9 | H9 | 178.8° | 180.0° |
| C3 | C11 | C12 | C16 | 176.0° | 180.0° |
| C3 | C11 | C12 | C13 | 177.2° | 180.0° |
| C3 | C11 | C16 | C15 | 177.8° | 180.0° |
| C11 | C3 | C2 | H2C1 | 55.9° | 180.0° |
| C11 | C3 | C2 | H2C2 | 66.1° | 61.7° |
| C3 | C11 | C12 | H12 | 2.8° | 0.1° |
| C3 | C11 | C16 | H16 | 2.2° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.3° | 0.1° |
| C12 | C11 | C16 | C15 | 2.2° | 0.1° |
| C12 | C11 | C3 | H3 | 51.7° | 0.0° |
| C12 | C11 | C16 | H16 | 177.7° | 180.0° |
| C11 | C12 | C13 | H13 | 178.7° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 2.7° | 0.1° |
| C13 | C12 | C11 | C16 | 1.2° | 0.1° |
| C12 | C13 | C14 | C17 | 177.9° | 180.0° |
| C13 | C14 | C15 | C17 | 175.1° | 179.9° |
| C13 | C14 | C15 | C16 | 1.7° | 0.1° |
| C13 | C14 | C17 | C18 | 156.9° | 30.0° |
| C13 | C14 | C17 | C21 | 16.2° | 150.0° |
| C14 | C13 | C12 | H12 | 178.7° | 180.0° |
| C13 | C14 | C15 | H15 | 178.3° | 180.0° |
| C14 | C15 | C16 | C11 | 0.8° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C15 | C14 | C17 | C18 | 18.1° | 150.0° |
| C15 | C14 | C17 | C21 | 168.8° | 30.0° |
| C14 | C15 | C16 | H16 | 179.2° | 180.0° |
| C15 | C14 | C13 | H13 | 177.3° | 180.0° |
| C11 | C16 | C15 | H16 | 180.0° | 179.9° |
| C16 | C11 | C3 | H3 | 132.7° | 180.0° |
| C16 | C11 | C12 | H12 | 178.8° | 179.9° |
| C11 | C16 | C15 | H15 | 179.2° | 180.0° |
| C16 | C15 | C14 | C17 | 176.7° | 180.0° |
| C14 | C17 | C18 | C21 | 174.2° | 180.0° |
| C14 | C17 | C18 | N19 | 176.4° | 180.0° |
| C14 | C17 | C21 | N20 | 175.9° | 179.9° |
| C17 | C14 | C13 | H13 | 2.1° | 0.1° |
| C17 | C14 | C15 | H15 | 3.3° | 0.0° |
| C14 | C17 | C18 | H18 | 3.6° | 0.1° |
| C14 | C17 | C21 | H21 | 4.1° | 0.1° |
| C17 | C18 | N19 | H18 | 180.0° | 179.9° |
| C17 | C18 | N19 | N20 | 1.8° | 0.0° |
| C18 | C17 | C21 | N20 | 1.7° | 0.0° |
| C18 | C17 | C21 | H21 | 178.3° | 179.9° |
| N19 | C18 | C17 | C21 | 2.2° | 0.0° |
| C18 | N19 | N20 | C21 | 0.7° | 0.1° |
| C18 | N19 | N20 | H20 | 179.3° | 179.8° |
| N19 | N20 | C21 | C17 | 0.7° | 0.1° |
| N19 | N20 | C21 | H20 | 180.0° | 179.9° |
| N20 | N19 | C18 | H18 | 178.3° | 180.0° |
| N19 | N20 | C21 | H21 | 179.3° | 179.9° |
| C17 | C21 | N20 | H21 | 180.0° | 179.9° |
| C21 | C17 | C18 | H18 | 177.8° | 179.9° |
| C17 | C21 | N20 | H20 | 179.3° | 179.8° |
| H1N1 | N1 | C2 | H2C1 | 27.3° | 95.5° |
| H1N1 | N1 | C2 | H2C2 | 149.3° | 20.2° |
| H1N2 | N1 | C2 | H2C1 | 147.3° | 71.2° |
| H1N2 | N1 | C2 | H2C2 | 90.7° | 173.1° |
| H2C1 | C2 | C3 | H3 | 61.4° | 62.2° |
| H2C2 | C2 | C3 | H3 | 176.6° | 179.5° |
| H5 | C5 | C6 | H6 | 1.0° | 0.0° |
| H10 | C10 | C9 | H9 | 1.2° | 0.0° |
| H12 | C12 | C13 | H13 | 1.3° | 0.1° |
| H16 | C16 | C15 | H15 | 0.8° | 0.1° |
| H21 | C21 | N20 | H20 | 0.7° | 0.1° |
