V7R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C12 | sing | 1.43Å | 1.42Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C09 | sing | 1.53Å | 1.54Å | |
| C10 | C08 | sing | 1.53Å | 1.53Å | |
| C09 | C07 | sing | 1.53Å | 1.54Å | |
| C08 | C07 | sing | 1.53Å | 1.51Å | |
| C07 | N05 | sing | 1.47Å | 1.46Å | |
| N05 | S01 | sing | 1.66Å | 1.72Å | |
| O04 | S01 | doub | 1.42Å | 1.46Å | |
| S01 | C13 | sing | 1.76Å | 1.80Å | |
| S01 | O03 | doub | 1.42Å | 1.46Å | |
| C15 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | N06 | sing | 1.40Å | 1.43Å | |
| C18 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| O02 | H1 | sing | 0.97Å | 0.95Å | |
| N05 | H2 | sing | 0.97Å | 1.00Å | |
| N06 | H3 | sing | 0.97Å | 1.00Å | |
| N06 | H4 | sing | 0.97Å | 1.00Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C12 | C11 | 108.7° | 109.5° |
| O02 | C12 | C10 | 107.9° | 109.5° |
| C12 | O02 | H1 | 109.5° | 114.0° |
| O02 | C12 | H14 | 110.3° | 109.5° |
| C11 | C12 | C10 | 112.7° | 109.4° |
| C12 | C11 | C09 | 115.9° | 109.5° |
| C12 | C11 | H12 | 107.9° | 109.5° |
| C12 | C11 | H13 | 107.8° | 109.5° |
| C11 | C12 | H14 | 108.7° | 109.5° |
| C12 | C10 | C08 | 112.5° | 109.5° |
| C12 | C10 | H10 | 108.7° | 109.4° |
| C12 | C10 | H11 | 108.7° | 109.5° |
| C10 | C12 | H14 | 108.6° | 109.5° |
| C11 | C09 | C07 | 113.9° | 109.5° |
| C11 | C09 | H8 | 108.3° | 109.5° |
| C11 | C09 | H9 | 108.4° | 109.5° |
| C09 | C11 | H12 | 107.9° | 109.4° |
| C09 | C11 | H13 | 107.8° | 109.4° |
| C10 | C08 | C07 | 109.9° | 109.5° |
| C10 | C08 | H6 | 109.4° | 109.4° |
| C10 | C08 | H7 | 109.4° | 109.4° |
| C08 | C10 | H10 | 108.7° | 109.5° |
| C08 | C10 | H11 | 108.7° | 109.5° |
| C09 | C07 | C08 | 109.0° | 109.4° |
| C09 | C07 | N05 | 109.9° | 109.5° |
| C09 | C07 | H5 | 109.5° | 109.5° |
| C07 | C09 | H8 | 108.4° | 109.4° |
| C07 | C09 | H9 | 108.3° | 109.5° |
| C08 | C07 | N05 | 108.1° | 109.5° |
| C08 | C07 | H5 | 109.8° | 109.5° |
| C07 | C08 | H6 | 109.3° | 109.5° |
| C07 | C08 | H7 | 109.4° | 109.5° |
| C07 | N05 | S01 | 122.5° | 120.0° |
| C07 | N05 | H2 | 106.1° | 120.0° |
| N05 | C07 | H5 | 110.5° | 109.5° |
| N05 | S01 | O04 | 111.2° | 106.4° |
| N05 | S01 | C13 | 109.9° | 107.2° |
| N05 | S01 | O03 | 103.5° | 106.4° |
| S01 | N05 | H2 | 106.1° | 120.1° |
| O04 | S01 | C13 | 115.7° | 106.4° |
| O04 | S01 | O03 | 106.8° | 123.2° |
| C13 | S01 | O03 | 108.9° | 106.4° |
| S01 | C13 | C15 | 118.3° | 119.9° |
| S01 | C13 | C14 | 119.2° | 119.9° |
| C13 | C15 | C17 | 117.2° | 120.1° |
| C15 | C13 | C14 | 122.4° | 120.1° |
| C13 | C15 | H16 | 121.4° | 120.0° |
| C15 | C17 | C18 | 121.6° | 119.9° |
| C17 | C15 | H16 | 121.4° | 119.9° |
| C15 | C17 | H18 | 119.2° | 120.0° |
| C13 | C14 | C16 | 119.9° | 120.1° |
| C13 | C14 | H15 | 120.0° | 120.0° |
| C17 | C18 | N06 | 118.0° | 120.0° |
| C17 | C18 | C16 | 120.7° | 119.8° |
| C18 | C17 | H18 | 119.2° | 120.1° |
| C14 | C16 | C18 | 118.1° | 119.9° |
| C16 | C14 | H15 | 120.0° | 119.9° |
| C14 | C16 | H17 | 121.0° | 120.1° |
| N06 | C18 | C16 | 121.3° | 120.1° |
| C18 | N06 | H3 | 109.5° | 120.0° |
| C18 | N06 | H4 | 109.5° | 120.0° |
| C18 | C16 | H17 | 121.0° | 120.0° |
| H3 | N06 | H4 | 109.5° | 120.0° |
| H6 | C08 | H7 | 109.4° | 109.5° |
| H8 | C09 | H9 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.4° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C12 | C11 | C10 | 119.6° | 120.0° |
| O02 | C12 | C11 | H14 | 120.1° | 120.0° |
| O02 | C12 | C10 | H14 | 119.5° | 120.0° |
| O02 | C12 | C11 | C09 | 158.3° | 180.0° |
| O02 | C12 | C10 | C08 | 167.6° | 180.0° |
| O02 | C12 | C10 | H10 | 47.1° | 60.0° |
| O02 | C12 | C10 | H11 | 71.9° | 60.0° |
| O02 | C12 | C11 | H12 | 80.8° | 60.0° |
| O02 | C12 | C11 | H13 | 37.4° | 60.0° |
| C11 | C12 | C10 | H14 | 120.5° | 120.0° |
| C12 | C11 | C09 | H12 | 121.0° | 120.0° |
| C12 | C11 | C09 | H13 | 120.9° | 120.0° |
| C11 | C12 | C10 | C08 | 47.6° | 60.0° |
| C12 | C11 | C09 | C07 | 42.6° | 60.0° |
| C11 | C12 | O02 | H1 | 180.0° | 180.0° |
| C12 | C11 | C09 | H8 | 78.1° | 180.0° |
| C12 | C11 | C09 | H9 | 163.2° | 60.0° |
| C11 | C12 | C10 | H10 | 72.9° | 180.0° |
| C11 | C12 | C10 | H11 | 168.1° | 60.0° |
| C12 | C11 | H12 | H13 | 117.1° | 120.0° |
| C10 | C12 | C11 | C09 | 38.7° | 60.0° |
| C12 | C10 | C08 | H10 | 120.5° | 119.9° |
| C12 | C10 | C08 | H11 | 120.5° | 120.0° |
| C12 | C10 | C08 | C07 | 60.7° | 60.0° |
| C10 | C12 | O02 | H1 | 57.5° | 60.1° |
| C12 | C10 | C08 | H6 | 179.2° | 60.0° |
| C12 | C10 | C08 | H7 | 59.4° | 180.0° |
| C12 | C10 | H10 | H11 | 118.6° | 120.0° |
| C10 | C12 | C11 | H12 | 159.6° | 60.0° |
| C10 | C12 | C11 | H13 | 82.2° | 180.0° |
| C11 | C09 | C07 | H8 | 120.6° | 120.0° |
| C11 | C09 | C07 | H9 | 120.7° | 120.0° |
| C11 | C09 | C07 | C08 | 53.6° | 60.0° |
| C11 | C09 | C07 | N05 | 171.9° | 180.0° |
| C11 | C09 | C07 | H5 | 66.6° | 60.0° |
| C11 | C09 | H8 | H9 | 118.0° | 120.1° |
| C09 | C11 | H12 | H13 | 117.1° | 120.0° |
| C09 | C11 | C12 | H14 | 81.7° | 60.0° |
| C10 | C08 | C07 | C09 | 62.3° | 60.0° |
| C10 | C08 | C07 | H6 | 120.1° | 120.0° |
| C10 | C08 | C07 | H7 | 120.1° | 120.0° |
| C10 | C08 | C07 | N05 | 178.2° | 180.0° |
| C10 | C08 | C07 | H5 | 57.6° | 60.0° |
| C10 | C08 | H6 | H7 | 119.8° | 120.0° |
| C08 | C10 | H10 | H11 | 118.6° | 120.1° |
| C08 | C10 | C12 | H14 | 72.9° | 60.0° |
| C09 | C07 | C08 | N05 | 119.4° | 120.0° |
| C09 | C07 | C08 | H5 | 119.9° | 120.0° |
| C09 | C07 | N05 | H5 | 120.9° | 120.0° |
| C09 | C07 | N05 | S01 | 165.5° | 95.0° |
| C09 | C07 | N05 | H2 | 72.7° | 85.0° |
| C09 | C07 | C08 | H6 | 177.6° | 60.0° |
| C09 | C07 | C08 | H7 | 57.7° | 180.0° |
| C07 | C09 | H8 | H9 | 118.0° | 120.0° |
| C07 | C09 | C11 | H12 | 163.5° | 60.0° |
| C07 | C09 | C11 | H13 | 78.3° | 180.0° |
| C08 | C07 | N05 | H5 | 120.2° | 120.0° |
| C08 | C07 | N05 | S01 | 75.6° | 145.0° |
| C08 | C07 | N05 | H2 | 46.2° | 35.0° |
| C07 | C08 | H6 | H7 | 119.8° | 120.0° |
| C08 | C07 | C09 | H8 | 67.1° | 180.0° |
| C08 | C07 | C09 | H9 | 174.2° | 60.0° |
| C07 | C08 | C10 | H10 | 59.7° | 180.0° |
| C07 | C08 | C10 | H11 | 178.8° | 60.0° |
| C07 | N05 | S01 | H2 | 121.8° | 180.0° |
| C07 | N05 | S01 | O04 | 90.8° | 48.5° |
| C07 | N05 | S01 | C13 | 38.6° | 65.0° |
| C07 | N05 | S01 | O03 | 154.8° | 178.6° |
| N05 | C07 | C08 | H6 | 58.1° | 60.0° |
| N05 | C07 | C08 | H7 | 61.7° | 60.0° |
| N05 | C07 | C09 | H8 | 51.2° | 60.0° |
| N05 | C07 | C09 | H9 | 67.4° | 60.0° |
| N05 | S01 | O04 | C13 | 126.3° | 114.1° |
| N05 | S01 | O04 | O03 | 112.3° | 122.9° |
| N05 | S01 | C13 | O03 | 112.8° | 113.5° |
| N05 | S01 | C13 | C15 | 97.1° | 90.3° |
| N05 | S01 | C13 | C14 | 85.8° | 90.0° |
| S01 | N05 | C07 | H5 | 44.6° | 25.0° |
| O04 | S01 | C13 | O03 | 120.3° | 132.9° |
| O04 | S01 | C13 | C15 | 29.9° | 23.3° |
| O04 | S01 | C13 | C14 | 147.3° | 156.5° |
| O04 | S01 | N05 | H2 | 31.0° | 131.5° |
| S01 | C13 | C15 | C14 | 177.1° | 179.7° |
| S01 | C13 | C15 | C17 | 179.7° | 179.9° |
| S01 | C13 | C14 | C16 | 179.8° | 180.0° |
| C13 | S01 | N05 | H2 | 160.4° | 115.0° |
| S01 | C13 | C14 | H15 | 0.2° | 0.0° |
| S01 | C13 | C15 | H16 | 0.3° | 0.0° |
| O03 | S01 | C13 | C15 | 150.2° | 156.2° |
| O03 | S01 | C13 | C14 | 27.0° | 23.6° |
| O03 | S01 | N05 | H2 | 83.4° | 1.4° |
| C13 | C15 | C17 | H16 | 180.0° | 179.9° |
| C13 | C15 | C17 | C18 | 0.4° | 0.1° |
| C15 | C13 | C14 | C16 | 2.8° | 0.2° |
| C15 | C13 | C14 | H15 | 177.3° | 179.8° |
| C13 | C15 | C17 | H18 | 179.7° | 180.0° |
| C17 | C15 | C13 | C14 | 2.6° | 0.2° |
| C15 | C17 | C18 | H18 | 180.0° | 180.0° |
| C15 | C17 | C18 | N06 | 179.5° | 180.0° |
| C15 | C17 | C18 | C16 | 1.7° | 0.3° |
| C13 | C14 | C16 | H15 | 180.0° | 180.0° |
| C13 | C14 | C16 | C18 | 0.6° | 0.0° |
| C14 | C13 | C15 | H16 | 177.4° | 179.7° |
| C13 | C14 | C16 | H17 | 179.4° | 180.0° |
| C17 | C18 | C16 | C14 | 1.6° | 0.3° |
| C17 | C18 | N06 | C16 | 178.8° | 179.7° |
| C17 | C18 | N06 | H3 | 180.0° | 0.0° |
| C17 | C18 | N06 | H4 | 60.0° | 180.0° |
| C18 | C17 | C15 | H16 | 179.6° | 180.0° |
| C17 | C18 | C16 | H17 | 178.5° | 179.8° |
| C14 | C16 | C18 | N06 | 179.7° | 180.0° |
| C14 | C16 | C18 | H17 | 180.0° | 179.9° |
| C18 | N06 | H3 | H4 | 120.0° | 180.0° |
| N06 | C18 | C16 | H17 | 0.3° | 0.1° |
| N06 | C18 | C17 | H18 | 0.6° | 0.0° |
| C16 | C18 | N06 | H3 | 1.2° | 179.7° |
| C16 | C18 | N06 | H4 | 121.2° | 0.3° |
| C18 | C16 | C14 | H15 | 179.4° | 180.0° |
| C16 | C18 | C17 | H18 | 178.3° | 179.7° |
| H1 | O02 | C12 | H14 | 60.9° | 59.9° |
| H2 | N05 | C07 | H5 | 166.4° | 155.0° |
| H5 | C07 | C08 | H6 | 62.5° | 180.0° |
| H5 | C07 | C08 | H7 | 177.7° | 60.0° |
| H5 | C07 | C09 | H8 | 172.8° | 60.0° |
| H5 | C07 | C09 | H9 | 54.1° | 180.0° |
| H6 | C08 | C10 | H10 | 60.3° | 59.9° |
| H6 | C08 | C10 | H11 | 58.7° | 180.0° |
| H7 | C08 | C10 | H10 | 179.8° | 60.0° |
| H7 | C08 | C10 | H11 | 61.1° | 60.0° |
| H8 | C09 | C11 | H12 | 42.9° | 59.9° |
| H8 | C09 | C11 | H13 | 161.0° | 60.0° |
| H9 | C09 | C11 | H12 | 75.8° | 180.0° |
| H9 | C09 | C11 | H13 | 42.3° | 60.0° |
| H10 | C10 | C12 | H14 | 166.7° | 60.0° |
| H11 | C10 | C12 | H14 | 47.6° | 180.0° |
| H12 | C11 | C12 | H14 | 39.3° | 180.0° |
| H13 | C11 | C12 | H14 | 157.4° | 60.0° |
| H15 | C14 | C16 | H17 | 0.6° | 0.1° |
| H16 | C15 | C17 | H18 | 0.3° | 0.0° |
