V1Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | S07 | doub | 1.42Å | 1.47Å | |
| N06 | S07 | sing | 1.66Å | 1.72Å | |
| N06 | C05 | sing | 1.40Å | 1.46Å | |
| S07 | O08 | doub | 1.42Å | 1.47Å | |
| S07 | C09 | sing | 1.76Å | 1.81Å | |
| C05 | N17 | doub | 1.31Å | 1.35Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| N17 | N02 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.35Å | 1.36Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| N02 | C03 | sing | 1.35Å | 1.31Å | Aromatic |
| N02 | C01 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| N06 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | S07 | N06 | 115.2° | 106.4° |
| O16 | S07 | O08 | 101.7° | 123.2° |
| O16 | S07 | C09 | 111.2° | 106.4° |
| S07 | N06 | C05 | 118.2° | 120.0° |
| N06 | S07 | O08 | 112.4° | 106.4° |
| N06 | S07 | C09 | 105.1° | 107.2° |
| S07 | N06 | H13 | 107.2° | 120.0° |
| N06 | C05 | N17 | 129.5° | 125.9° |
| N06 | C05 | C04 | 123.8° | 126.0° |
| C05 | N06 | H13 | 107.2° | 120.0° |
| O08 | S07 | C09 | 111.4° | 106.4° |
| S07 | C09 | C10 | 118.2° | 120.0° |
| S07 | C09 | C15 | 121.0° | 120.0° |
| N17 | C05 | C04 | 106.7° | 108.1° |
| C05 | N17 | N02 | 107.3° | 108.2° |
| C05 | C04 | C03 | 109.0° | 107.9° |
| C05 | C04 | H5 | 125.5° | 126.0° |
| N17 | N02 | C03 | 109.6° | 108.1° |
| N17 | N02 | C01 | 127.5° | 126.0° |
| C04 | C03 | N02 | 107.5° | 107.9° |
| C04 | C03 | H4 | 126.3° | 126.1° |
| C03 | C04 | H5 | 125.5° | 126.1° |
| C09 | C10 | C11 | 120.0° | 120.0° |
| C10 | C09 | C15 | 120.8° | 120.0° |
| C09 | C10 | H6 | 120.0° | 120.0° |
| C10 | C11 | C12 | 119.4° | 120.0° |
| C11 | C10 | H6 | 120.0° | 120.0° |
| C10 | C11 | H7 | 120.3° | 120.0° |
| C09 | C15 | C14 | 119.3° | 120.0° |
| C09 | C15 | H12 | 120.3° | 120.0° |
| C03 | N02 | C01 | 122.9° | 126.0° |
| N02 | C03 | H4 | 126.3° | 126.1° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.4° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| C11 | C12 | C14 | 121.0° | 120.0° |
| C11 | C12 | C13 | 117.8° | 120.0° |
| C12 | C11 | H7 | 120.3° | 120.0° |
| C15 | C14 | C12 | 119.4° | 120.0° |
| C15 | C14 | H11 | 120.3° | 120.0° |
| C14 | C15 | H12 | 120.3° | 120.0° |
| C14 | C12 | C13 | 121.1° | 120.0° |
| C12 | C14 | H11 | 120.3° | 120.0° |
| C12 | C13 | H8 | 109.5° | 109.5° |
| C12 | C13 | H9 | 109.5° | 109.4° |
| C12 | C13 | H10 | 109.5° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.4° | 109.5° |
| H8 | C13 | H10 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | S07 | N06 | O08 | 115.9° | 132.9° |
| O16 | S07 | N06 | C09 | 122.8° | 113.5° |
| O16 | S07 | N06 | C05 | 166.9° | 178.5° |
| O16 | S07 | O08 | C09 | 118.6° | 122.9° |
| O16 | S07 | C09 | C10 | 58.6° | 156.7° |
| O16 | S07 | C09 | C15 | 122.6° | 23.5° |
| O16 | S07 | N06 | H13 | 45.7° | 1.4° |
| S07 | N06 | C05 | H13 | 121.2° | 179.9° |
| N06 | S07 | O08 | C09 | 117.7° | 114.1° |
| S07 | N06 | C05 | N17 | 140.4° | 0.1° |
| S07 | N06 | C05 | C04 | 38.9° | 179.8° |
| N06 | S07 | C09 | C10 | 66.7° | 89.8° |
| N06 | S07 | C09 | C15 | 112.1° | 90.0° |
| C05 | N06 | S07 | O08 | 51.0° | 48.6° |
| C05 | N06 | S07 | C09 | 70.4° | 65.0° |
| N06 | C05 | N17 | C04 | 179.3° | 179.9° |
| N06 | C05 | N17 | N02 | 179.6° | 179.9° |
| N06 | C05 | C04 | C03 | 179.6° | 179.8° |
| N06 | C05 | C04 | H5 | 0.4° | 0.1° |
| O08 | S07 | C09 | C10 | 171.3° | 23.8° |
| O08 | S07 | C09 | C15 | 9.9° | 156.4° |
| O08 | S07 | N06 | H13 | 70.3° | 131.5° |
| S07 | C09 | C10 | C15 | 178.7° | 179.8° |
| S07 | C09 | C10 | C11 | 179.1° | 179.7° |
| S07 | C09 | C15 | C14 | 179.4° | 179.7° |
| S07 | C09 | C10 | H6 | 0.9° | 0.2° |
| S07 | C09 | C15 | H12 | 0.6° | 0.2° |
| C09 | S07 | N06 | H13 | 168.4° | 114.9° |
| N17 | C05 | C04 | C03 | 0.2° | 0.1° |
| C05 | N17 | N02 | C03 | 0.3° | 0.3° |
| C05 | N17 | N02 | C01 | 179.5° | 179.8° |
| N17 | C05 | C04 | H5 | 179.8° | 180.0° |
| N17 | C05 | N06 | H13 | 98.4° | 180.0° |
| C04 | C05 | N17 | N02 | 0.3° | 0.1° |
| C05 | C04 | C03 | H5 | 180.0° | 179.9° |
| C05 | C04 | C03 | N02 | 0.0° | 0.3° |
| C05 | C04 | C03 | H4 | 180.0° | 179.9° |
| C04 | C05 | N06 | H13 | 82.3° | 0.2° |
| N17 | N02 | C03 | C04 | 0.2° | 0.4° |
| N17 | N02 | C03 | C01 | 179.8° | 179.9° |
| N17 | N02 | C01 | H1 | 0.0° | 89.8° |
| N17 | N02 | C01 | H2 | 120.0° | 30.1° |
| N17 | N02 | C01 | H3 | 120.0° | 150.1° |
| N17 | N02 | C03 | H4 | 179.8° | 179.8° |
| C04 | C03 | N02 | H4 | 180.0° | 179.8° |
| C04 | C03 | N02 | C01 | 179.6° | 179.7° |
| C09 | C10 | C11 | H6 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 0.3° | 0.0° |
| C10 | C09 | C15 | C14 | 0.7° | 0.1° |
| C09 | C10 | C11 | H7 | 179.8° | 180.0° |
| C10 | C09 | C15 | H12 | 179.3° | 180.0° |
| C11 | C10 | C09 | C15 | 0.4° | 0.1° |
| C10 | C11 | C12 | H7 | 180.0° | 180.0° |
| C10 | C11 | C12 | C14 | 0.6° | 0.1° |
| C10 | C11 | C12 | C13 | 179.8° | 180.0° |
| C09 | C15 | C14 | H12 | 180.0° | 179.9° |
| C09 | C15 | C14 | C12 | 0.4° | 0.2° |
| C15 | C09 | C10 | H6 | 179.6° | 180.0° |
| C09 | C15 | C14 | H11 | 179.6° | 180.0° |
| C03 | N02 | C01 | H1 | 179.7° | 90.1° |
| C03 | N02 | C01 | H2 | 60.3° | 150.0° |
| C03 | N02 | C01 | H3 | 59.7° | 30.0° |
| N02 | C03 | C04 | H5 | 180.0° | 179.8° |
| N02 | C01 | H1 | H2 | 120.0° | 119.9° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H4 | 0.4° | 0.1° |
| C11 | C12 | C14 | C15 | 0.3° | 0.2° |
| C11 | C12 | C14 | C13 | 179.2° | 179.9° |
| C12 | C11 | C10 | H6 | 179.7° | 180.0° |
| C11 | C12 | C13 | H8 | 90.4° | 90.0° |
| C11 | C12 | C13 | H9 | 149.6° | 150.0° |
| C11 | C12 | C13 | H10 | 29.6° | 30.0° |
| C11 | C12 | C14 | H11 | 179.8° | 180.0° |
| C15 | C14 | C12 | H11 | 180.0° | 179.8° |
| C15 | C14 | C12 | C13 | 179.5° | 179.9° |
| C14 | C12 | C11 | H7 | 179.4° | 179.9° |
| C14 | C12 | C13 | H8 | 90.4° | 89.9° |
| C14 | C12 | C13 | H9 | 29.6° | 30.1° |
| C14 | C12 | C13 | H10 | 149.6° | 150.1° |
| C12 | C14 | C15 | H12 | 179.6° | 179.9° |
| C13 | C12 | C11 | H7 | 0.2° | 0.0° |
| C12 | C13 | H8 | H9 | 120.0° | 120.0° |
| C12 | C13 | H8 | H10 | 120.0° | 120.0° |
| C12 | C13 | H9 | H10 | 120.0° | 119.9° |
| C13 | C12 | C14 | H11 | 0.5° | 0.1° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H4 | C03 | C04 | H5 | 0.0° | 0.0° |
| H6 | C10 | C11 | H7 | 0.3° | 0.0° |
| H8 | C13 | H9 | H10 | 120.0° | 120.0° |
| H11 | C14 | C15 | H12 | 0.4° | 0.1° |
