GV5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C17 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | C18 | sing | 1.32Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.47Å | Aromatic |
| C14 | N | sing | 1.40Å | 1.37Å | |
| C15 | S | sing | 1.76Å | 1.65Å | |
| N | C | sing | 1.40Å | 1.35Å | |
| C5 | C | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.36Å | Aromatic |
| C | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| O1 | S | doub | 1.42Å | 1.50Å | |
| O | S | doub | 1.42Å | 1.44Å | |
| N1 | C4 | doub | 1.34Å | 1.35Å | Aromatic |
| N1 | C12 | sing | 1.32Å | 1.34Å | Aromatic |
| S | C19 | sing | 1.81Å | 1.62Å | |
| C4 | C3 | sing | 1.42Å | 1.46Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.42Å | 1.47Å | Aromatic |
| C3 | N2 | doub | 1.34Å | 1.35Å | Aromatic |
| C2 | C6 | sing | 1.48Å | 1.48Å | |
| C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | N2 | sing | 1.31Å | 1.33Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | N4 | sing | 1.40Å | 1.38Å | |
| N4 | C20 | sing | 1.46Å | 1.46Å | |
| N4 | C21 | sing | 1.47Å | 1.47Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| C5 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å | |
| C8 | H20 | sing | 1.08Å | 1.08Å | |
| C7 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | N3 | C18 | 120.1° | 121.8° |
| N3 | C17 | C16 | 121.3° | 121.0° |
| N3 | C17 | H5 | 119.3° | 119.5° |
| N3 | C18 | C14 | 122.3° | 120.7° |
| N3 | C18 | H6 | 118.9° | 119.7° |
| C17 | C16 | C15 | 121.7° | 119.2° |
| C17 | C16 | H4 | 119.1° | 120.4° |
| C16 | C17 | H5 | 119.3° | 119.5° |
| C18 | C14 | C15 | 118.0° | 119.0° |
| C18 | C14 | N | 122.1° | 120.5° |
| C14 | C18 | H6 | 118.9° | 119.6° |
| C16 | C15 | C14 | 116.4° | 118.3° |
| C16 | C15 | S | 122.4° | 120.9° |
| C15 | C16 | H4 | 119.1° | 120.3° |
| C15 | C14 | N | 119.3° | 120.5° |
| C14 | C15 | S | 121.1° | 120.8° |
| C14 | N | C | 126.3° | 120.0° |
| C14 | N | H14 | 116.8° | 120.0° |
| C15 | S | O1 | 111.8° | 104.3° |
| C15 | S | O | 101.7° | 104.3° |
| C15 | S | C19 | 110.4° | 104.5° |
| N | C | C5 | 123.0° | 119.6° |
| N | C | C1 | 115.5° | 119.5° |
| C | N | H14 | 116.8° | 120.0° |
| C | C5 | C4 | 121.0° | 119.9° |
| C5 | C | C1 | 121.4° | 120.9° |
| C | C5 | H15 | 119.5° | 120.0° |
| C5 | C4 | N1 | 122.6° | 120.9° |
| C5 | C4 | C3 | 119.3° | 119.6° |
| C4 | C5 | H15 | 119.5° | 120.0° |
| C | C1 | C2 | 120.1° | 120.6° |
| C | C1 | H13 | 119.9° | 119.8° |
| O1 | S | O | 104.7° | 121.0° |
| O1 | S | C19 | 110.5° | 110.5° |
| O | S | C19 | 117.3° | 110.5° |
| C4 | N1 | C12 | 119.4° | 119.7° |
| N1 | C4 | C3 | 118.0° | 119.6° |
| N1 | C12 | C13 | 121.8° | 120.7° |
| N1 | C12 | H2 | 119.1° | 119.6° |
| S | C19 | H7 | 109.5° | 109.5° |
| S | C19 | H8 | 109.5° | 109.5° |
| S | C19 | H9 | 109.5° | 109.5° |
| C4 | C3 | C2 | 118.4° | 119.5° |
| C4 | C3 | N2 | 120.3° | 119.6° |
| C12 | C13 | N2 | 121.4° | 120.8° |
| C13 | C12 | H2 | 119.1° | 119.7° |
| C12 | C13 | H3 | 119.3° | 119.6° |
| C1 | C2 | C3 | 119.7° | 119.6° |
| C1 | C2 | C6 | 120.1° | 120.2° |
| C2 | C1 | H13 | 120.0° | 119.7° |
| C2 | C3 | N2 | 120.9° | 120.9° |
| C3 | C2 | C6 | 120.2° | 120.2° |
| C3 | N2 | C13 | 118.8° | 119.8° |
| C2 | C6 | C7 | 121.3° | 120.1° |
| C2 | C6 | C11 | 117.1° | 120.1° |
| C6 | C7 | C8 | 119.2° | 120.1° |
| C7 | C6 | C11 | 121.6° | 119.8° |
| C6 | C7 | H21 | 120.4° | 120.0° |
| C7 | C8 | C9 | 119.3° | 120.1° |
| C7 | C8 | H20 | 120.4° | 120.0° |
| C8 | C7 | H21 | 120.4° | 119.9° |
| N2 | C13 | H3 | 119.3° | 119.6° |
| C6 | C11 | C10 | 118.3° | 119.8° |
| C6 | C11 | H1 | 120.8° | 120.0° |
| C8 | C9 | C10 | 120.7° | 120.2° |
| C8 | C9 | H19 | 119.7° | 119.9° |
| C9 | C8 | H20 | 120.4° | 119.9° |
| C11 | C10 | C9 | 120.7° | 120.0° |
| C11 | C10 | N4 | 118.6° | 120.0° |
| C10 | C11 | H1 | 120.8° | 120.1° |
| C9 | C10 | N4 | 120.7° | 120.0° |
| C10 | C9 | H19 | 119.6° | 119.9° |
| C10 | N4 | C20 | 120.0° | 120.0° |
| C10 | N4 | C21 | 120.5° | 119.9° |
| C20 | N4 | C21 | 119.5° | 120.1° |
| N4 | C20 | H10 | 109.5° | 109.5° |
| N4 | C20 | H11 | 109.5° | 109.5° |
| N4 | C20 | H12 | 109.5° | 109.5° |
| N4 | C21 | H16 | 109.5° | 109.5° |
| N4 | C21 | H17 | 109.5° | 109.4° |
| N4 | C21 | H18 | 109.5° | 109.5° |
| H7 | C19 | H8 | 109.4° | 109.4° |
| H7 | C19 | H9 | 109.5° | 109.4° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.4° |
| H10 | C20 | H12 | 109.4° | 109.4° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H18 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C17 | C16 | H5 | 180.0° | 180.0° |
| C17 | N3 | C18 | C14 | 5.9° | 0.4° |
| N3 | C17 | C16 | C15 | 2.2° | 0.1° |
| N3 | C17 | C16 | H4 | 177.8° | 180.0° |
| C17 | N3 | C18 | H6 | 174.0° | 180.0° |
| C18 | N3 | C17 | C16 | 2.1° | 0.2° |
| N3 | C18 | C14 | H6 | 180.0° | 179.6° |
| N3 | C18 | C14 | C15 | 5.3° | 0.4° |
| N3 | C18 | C14 | N | 176.4° | 179.7° |
| C18 | N3 | C17 | H5 | 177.9° | 179.8° |
| C17 | C16 | C15 | H4 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 2.6° | 0.0° |
| C17 | C16 | C15 | S | 178.9° | 179.9° |
| C18 | C14 | C15 | C16 | 1.0° | 0.2° |
| C18 | C14 | C15 | N | 171.3° | 179.8° |
| C18 | C14 | C15 | S | 175.3° | 179.8° |
| C18 | C14 | N | C | 36.0° | 7.4° |
| C18 | C14 | N | H14 | 144.0° | 172.5° |
| C16 | C15 | C14 | S | 176.3° | 180.0° |
| C16 | C15 | C14 | N | 172.3° | 180.0° |
| C16 | C15 | S | O1 | 11.4° | 129.0° |
| C16 | C15 | S | O | 122.7° | 1.1° |
| C16 | C15 | S | C19 | 112.1° | 114.9° |
| C15 | C16 | C17 | H5 | 177.8° | 180.0° |
| C15 | C14 | N | C | 135.0° | 172.7° |
| C14 | C15 | S | O1 | 172.5° | 51.1° |
| C14 | C15 | S | O | 61.3° | 178.9° |
| C14 | C15 | S | C19 | 64.0° | 65.0° |
| C14 | C15 | C16 | H4 | 177.4° | 180.0° |
| C15 | C14 | C18 | H6 | 174.7° | 180.0° |
| C15 | C14 | N | H14 | 45.0° | 7.4° |
| N | C14 | C15 | S | 4.0° | 0.0° |
| C14 | N | C | H14 | 180.0° | 179.9° |
| C14 | N | C | C5 | 25.3° | 137.6° |
| C14 | N | C | C1 | 152.0° | 42.4° |
| N | C14 | C18 | H6 | 3.6° | 0.1° |
| C15 | S | O1 | O | 109.4° | 116.7° |
| C15 | S | O1 | C19 | 123.5° | 111.8° |
| C15 | S | O | C19 | 120.5° | 111.8° |
| S | C15 | C16 | H4 | 1.1° | 0.0° |
| C15 | S | C19 | H7 | 180.0° | 60.0° |
| C15 | S | C19 | H8 | 60.0° | 180.0° |
| C15 | S | C19 | H9 | 60.0° | 60.0° |
| N | C | C5 | C1 | 177.1° | 180.0° |
| N | C | C5 | C4 | 177.4° | 179.9° |
| N | C | C1 | C2 | 176.9° | 179.9° |
| N | C | C1 | H13 | 3.1° | 0.0° |
| N | C | C5 | H15 | 2.6° | 0.1° |
| C | C5 | C4 | H15 | 180.0° | 180.0° |
| C | C5 | C4 | N1 | 178.4° | 180.0° |
| C | C5 | C4 | C3 | 2.6° | 0.0° |
| C5 | C | C1 | C2 | 0.4° | 0.1° |
| C5 | C | C1 | H13 | 179.6° | 180.0° |
| C5 | C | N | H14 | 154.8° | 42.3° |
| C4 | C5 | C | C1 | 0.3° | 0.1° |
| C5 | C4 | N1 | C3 | 175.9° | 180.0° |
| C5 | C4 | N1 | C12 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 4.1° | 0.0° |
| C5 | C4 | C3 | N2 | 176.7° | 179.7° |
| C | C1 | C2 | H13 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 1.3° | 0.1° |
| C | C1 | C2 | C6 | 179.5° | 180.0° |
| C1 | C | N | H14 | 28.0° | 137.7° |
| C1 | C | C5 | H15 | 179.7° | 180.0° |
| O1 | S | O | C19 | 122.9° | 131.5° |
| O1 | S | C19 | H7 | 55.7° | 51.6° |
| O1 | S | C19 | H8 | 64.3° | 68.3° |
| O1 | S | C19 | H9 | 175.7° | 171.6° |
| O | S | C19 | H7 | 64.1° | 171.6° |
| O | S | C19 | H8 | 175.9° | 68.4° |
| O | S | C19 | H9 | 55.9° | 51.6° |
| C4 | N1 | C12 | C13 | 0.7° | 0.0° |
| N1 | C4 | C3 | C2 | 179.9° | 180.0° |
| N1 | C4 | C3 | N2 | 7.3° | 0.2° |
| C4 | N1 | C12 | H2 | 179.3° | 179.7° |
| N1 | C4 | C5 | H15 | 1.6° | 0.0° |
| C12 | N1 | C4 | C3 | 4.4° | 0.0° |
| N1 | C12 | C13 | H2 | 180.0° | 179.7° |
| N1 | C12 | C13 | N2 | 0.5° | 0.3° |
| N1 | C12 | C13 | H3 | 179.5° | 179.7° |
| S | C19 | H7 | H8 | 120.0° | 120.0° |
| S | C19 | H7 | H9 | 120.0° | 120.0° |
| S | C19 | H8 | H9 | 120.0° | 120.0° |
| C4 | C3 | C2 | C1 | 3.5° | 0.0° |
| C4 | C3 | C2 | N2 | 172.5° | 179.8° |
| C4 | C3 | C2 | C6 | 177.3° | 180.0° |
| C4 | C3 | N2 | C13 | 6.2° | 0.5° |
| C3 | C4 | C5 | H15 | 177.4° | 180.0° |
| C12 | C13 | N2 | C3 | 2.4° | 0.6° |
| C12 | C13 | N2 | H3 | 180.0° | 180.0° |
| C1 | C2 | C3 | C6 | 179.2° | 180.0° |
| C1 | C2 | C3 | N2 | 176.0° | 179.7° |
| C1 | C2 | C6 | C7 | 122.5° | 130.0° |
| C1 | C2 | C6 | C11 | 58.5° | 50.1° |
| C3 | C2 | C6 | C7 | 56.7° | 50.0° |
| C2 | C3 | N2 | C13 | 178.6° | 179.7° |
| C3 | C2 | C6 | C11 | 122.4° | 130.0° |
| C3 | C2 | C1 | H13 | 178.7° | 180.0° |
| N2 | C3 | C2 | C6 | 4.8° | 0.3° |
| C3 | N2 | C13 | H3 | 177.6° | 179.5° |
| C2 | C6 | C7 | C11 | 179.0° | 179.9° |
| C2 | C6 | C7 | C8 | 175.8° | 179.8° |
| C2 | C6 | C11 | C10 | 177.9° | 179.9° |
| C2 | C6 | C11 | H1 | 2.1° | 0.1° |
| C6 | C2 | C1 | H13 | 0.4° | 0.0° |
| C2 | C6 | C7 | H21 | 4.2° | 0.1° |
| C6 | C7 | C8 | H21 | 180.0° | 179.7° |
| C6 | C7 | C8 | C9 | 6.0° | 0.2° |
| C7 | C6 | C11 | C10 | 3.0° | 0.0° |
| C7 | C6 | C11 | H1 | 177.0° | 180.0° |
| C6 | C7 | C8 | H20 | 174.1° | 179.7° |
| C8 | C7 | C6 | C11 | 5.2° | 0.3° |
| C7 | C8 | C9 | H20 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 4.9° | 0.1° |
| C7 | C8 | C9 | H19 | 175.1° | 180.0° |
| N2 | C13 | C12 | H2 | 179.5° | 180.0° |
| C6 | C11 | C10 | H1 | 180.0° | 180.0° |
| C6 | C11 | C10 | C9 | 1.8° | 0.3° |
| C6 | C11 | C10 | N4 | 179.7° | 179.9° |
| C11 | C6 | C7 | H21 | 174.8° | 180.0° |
| C8 | C9 | C10 | C11 | 2.8° | 0.4° |
| C8 | C9 | C10 | H19 | 180.0° | 179.9° |
| C8 | C9 | C10 | N4 | 179.4° | 180.0° |
| C9 | C8 | C7 | H21 | 174.1° | 179.9° |
| C11 | C10 | C9 | N4 | 177.9° | 179.6° |
| C11 | C10 | N4 | C20 | 1.2° | 0.1° |
| C11 | C10 | N4 | C21 | 179.7° | 180.0° |
| C11 | C10 | C9 | H19 | 177.2° | 179.7° |
| C9 | C10 | N4 | C20 | 179.1° | 179.7° |
| C9 | C10 | N4 | C21 | 1.8° | 0.3° |
| C9 | C10 | C11 | H1 | 178.2° | 179.7° |
| C10 | C9 | C8 | H20 | 175.2° | 179.9° |
| C10 | N4 | C20 | C21 | 179.1° | 180.0° |
| N4 | C10 | C11 | H1 | 0.3° | 0.1° |
| C10 | N4 | C20 | H10 | 180.0° | 90.1° |
| C10 | N4 | C20 | H11 | 60.0° | 150.0° |
| C10 | N4 | C20 | H12 | 60.0° | 30.0° |
| C10 | N4 | C21 | H16 | 180.0° | 90.0° |
| C10 | N4 | C21 | H17 | 60.0° | 150.0° |
| C10 | N4 | C21 | H18 | 60.0° | 30.1° |
| N4 | C10 | C9 | H19 | 0.6° | 0.1° |
| N4 | C20 | H10 | H11 | 120.0° | 120.0° |
| N4 | C20 | H10 | H12 | 120.0° | 120.0° |
| N4 | C20 | H11 | H12 | 120.0° | 120.1° |
| C20 | N4 | C21 | H16 | 0.9° | 90.0° |
| C20 | N4 | C21 | H17 | 120.9° | 30.0° |
| C20 | N4 | C21 | H18 | 119.1° | 150.0° |
| C21 | N4 | C20 | H10 | 0.9° | 90.0° |
| C21 | N4 | C20 | H11 | 119.1° | 30.0° |
| C21 | N4 | C20 | H12 | 120.9° | 150.0° |
| N4 | C21 | H16 | H17 | 120.0° | 119.9° |
| N4 | C21 | H16 | H18 | 120.0° | 120.1° |
| N4 | C21 | H17 | H18 | 120.0° | 120.0° |
| H2 | C12 | C13 | H3 | 0.5° | 0.0° |
| H4 | C16 | C17 | H5 | 2.2° | 0.0° |
| H7 | C19 | H8 | H9 | 120.0° | 120.0° |
| H10 | C20 | H11 | H12 | 120.0° | 119.9° |
| H16 | C21 | H17 | H18 | 120.0° | 120.0° |
| H19 | C9 | C8 | H20 | 4.8° | 0.0° |
| H20 | C8 | C7 | H21 | 5.9° | 0.0° |
