V3Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C13 | sing | 1.47Å | 1.53Å | |
| C14 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | N02 | sing | 1.48Å | 1.45Å | |
| C04 | O05 | sing | 1.36Å | 1.41Å | |
| N02 | O17 | sing | 1.22Å | 1.40Å | |
| N02 | O01 | doub | 1.22Å | 1.18Å | |
| C08 | S06 | sing | 1.81Å | 1.82Å | |
| C08 | C10 | sing | 1.53Å | 1.52Å | |
| O11 | S06 | doub | 1.42Å | 1.51Å | |
| O05 | S06 | sing | 1.52Å | 1.66Å | |
| S06 | O07 | doub | 1.42Å | 1.51Å | |
| C08 | H1 | sing | 1.09Å | 1.10Å | |
| C09 | H2 | sing | 1.09Å | 1.10Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | O1 | doub | 1.21Å | 1.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C13 | C14 | 120.1° | 120.2° |
| C16 | C13 | C12 | 119.6° | 120.1° |
| C13 | C16 | H11 | 119.2° | 120.0° |
| C13 | C16 | O1 | 121.6° | 120.0° |
| C13 | C14 | C15 | 119.7° | 119.9° |
| C14 | C13 | C12 | 120.3° | 119.7° |
| C13 | C14 | H9 | 120.2° | 120.0° |
| C14 | C15 | C03 | 120.1° | 120.3° |
| C15 | C14 | H9 | 120.2° | 120.0° |
| C14 | C15 | H10 | 119.9° | 119.8° |
| C13 | C12 | C04 | 120.2° | 119.8° |
| C13 | C12 | H8 | 119.9° | 120.2° |
| C15 | C03 | C04 | 120.3° | 120.3° |
| C15 | C03 | N02 | 118.8° | 119.9° |
| C03 | C15 | H10 | 119.9° | 119.9° |
| C12 | C04 | C03 | 119.4° | 120.1° |
| C12 | C04 | O05 | 119.8° | 120.0° |
| C04 | C12 | H8 | 119.9° | 120.1° |
| C09 | C08 | S06 | 109.0° | 109.5° |
| C09 | C08 | C10 | 110.5° | 109.4° |
| C09 | C08 | H1 | 110.6° | 109.5° |
| C08 | C09 | H2 | 109.5° | 109.5° |
| C08 | C09 | H3 | 109.4° | 109.5° |
| C08 | C09 | H4 | 109.5° | 109.4° |
| C04 | C03 | N02 | 120.9° | 119.8° |
| C03 | C04 | O05 | 120.9° | 119.9° |
| C03 | N02 | O17 | 119.6° | 120.0° |
| C03 | N02 | O01 | 119.9° | 120.0° |
| C04 | O05 | S06 | 119.1° | 114.0° |
| O17 | N02 | O01 | 120.4° | 120.0° |
| S06 | C08 | C10 | 109.0° | 109.5° |
| C08 | S06 | O11 | 112.1° | 110.5° |
| C08 | S06 | O05 | 111.4° | 104.5° |
| C08 | S06 | O07 | 108.9° | 110.6° |
| S06 | C08 | H1 | 107.1° | 109.5° |
| C10 | C08 | H1 | 110.5° | 109.5° |
| C08 | C10 | H5 | 109.5° | 109.4° |
| C08 | C10 | H6 | 109.4° | 109.5° |
| C08 | C10 | H7 | 109.5° | 109.4° |
| O11 | S06 | O05 | 111.9° | 104.2° |
| O11 | S06 | O07 | 100.5° | 121.1° |
| O05 | S06 | O07 | 111.5° | 104.3° |
| H2 | C09 | H3 | 109.5° | 109.5° |
| H2 | C09 | H4 | 109.5° | 109.5° |
| H3 | C09 | H4 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H7 | 109.5° | 109.5° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H11 | C16 | O1 | 119.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C13 | C14 | C12 | 179.4° | 180.0° |
| C16 | C13 | C14 | C15 | 179.9° | 179.8° |
| C16 | C13 | C12 | C04 | 179.9° | 180.0° |
| C16 | C13 | C12 | H8 | 0.1° | 0.1° |
| C16 | C13 | C14 | H9 | 0.1° | 0.0° |
| C13 | C16 | H11 | O1 | 180.0° | 179.9° |
| C13 | C14 | C15 | H9 | 180.0° | 179.8° |
| C13 | C14 | C15 | C03 | 0.3° | 0.5° |
| C14 | C13 | C12 | C04 | 0.7° | 0.1° |
| C14 | C13 | C12 | H8 | 179.3° | 180.0° |
| C13 | C14 | C15 | H10 | 179.7° | 180.0° |
| C14 | C13 | C16 | H11 | 157.8° | 0.1° |
| C14 | C13 | C16 | O1 | 22.2° | 180.0° |
| C15 | C14 | C13 | C12 | 0.5° | 0.2° |
| C14 | C15 | C03 | H10 | 180.0° | 179.6° |
| C14 | C15 | C03 | C04 | 0.2° | 0.5° |
| C14 | C15 | C03 | N02 | 180.0° | 179.8° |
| C13 | C12 | C04 | H8 | 180.0° | 179.9° |
| C13 | C12 | C04 | C03 | 0.6° | 0.0° |
| C13 | C12 | C04 | O05 | 179.9° | 180.0° |
| C12 | C13 | C14 | H9 | 179.5° | 179.9° |
| C12 | C13 | C16 | H11 | 22.8° | 179.9° |
| C12 | C13 | C16 | O1 | 157.2° | 0.0° |
| C15 | C03 | C04 | C12 | 0.4° | 0.3° |
| C15 | C03 | C04 | N02 | 179.8° | 179.7° |
| C15 | C03 | C04 | O05 | 179.9° | 179.7° |
| C15 | C03 | N02 | O17 | 51.0° | 0.2° |
| C15 | C03 | N02 | O01 | 128.2° | 179.7° |
| C03 | C15 | C14 | H9 | 179.7° | 179.8° |
| C12 | C04 | C03 | O05 | 179.4° | 180.0° |
| C12 | C04 | C03 | N02 | 179.8° | 180.0° |
| C12 | C04 | O05 | S06 | 71.3° | 83.6° |
| C09 | C08 | S06 | C10 | 120.7° | 120.0° |
| C09 | C08 | S06 | H1 | 119.7° | 120.0° |
| C09 | C08 | C10 | H1 | 122.8° | 120.0° |
| C09 | C08 | S06 | O11 | 45.6° | 66.4° |
| C09 | C08 | S06 | O05 | 80.7° | 178.0° |
| C09 | C08 | S06 | O07 | 155.9° | 70.4° |
| C08 | C09 | H2 | H3 | 120.0° | 120.0° |
| C08 | C09 | H2 | H4 | 120.0° | 120.0° |
| C08 | C09 | H3 | H4 | 120.0° | 119.9° |
| C09 | C08 | C10 | H5 | 180.0° | 175.0° |
| C09 | C08 | C10 | H6 | 60.0° | 55.1° |
| C09 | C08 | C10 | H7 | 60.0° | 65.0° |
| C04 | C03 | N02 | O17 | 128.8° | 179.9° |
| C04 | C03 | N02 | O01 | 52.0° | 0.0° |
| C03 | C04 | O05 | S06 | 109.3° | 96.4° |
| C03 | C04 | C12 | H8 | 179.4° | 179.9° |
| C04 | C03 | C15 | H10 | 179.7° | 179.9° |
| N02 | C03 | C04 | O05 | 0.3° | 0.0° |
| C03 | N02 | O17 | O01 | 179.2° | 179.9° |
| N02 | C03 | C15 | H10 | 0.1° | 0.2° |
| C04 | O05 | S06 | C08 | 40.8° | 163.0° |
| C04 | O05 | S06 | O11 | 85.6° | 47.0° |
| C04 | O05 | S06 | O07 | 162.8° | 80.9° |
| O05 | C04 | C12 | H8 | 0.1° | 0.1° |
| S06 | C08 | C10 | H1 | 117.5° | 120.0° |
| C08 | S06 | O11 | O05 | 126.0° | 111.7° |
| C08 | S06 | O11 | O07 | 115.6° | 131.6° |
| C08 | S06 | O05 | O07 | 121.9° | 116.1° |
| S06 | C08 | C09 | H2 | 180.0° | 60.0° |
| S06 | C08 | C09 | H3 | 60.0° | 180.0° |
| S06 | C08 | C09 | H4 | 60.0° | 60.1° |
| S06 | C08 | C10 | H5 | 60.3° | 65.0° |
| S06 | C08 | C10 | H6 | 59.7° | 175.0° |
| S06 | C08 | C10 | H7 | 179.7° | 55.0° |
| C10 | C08 | S06 | O11 | 75.1° | 173.6° |
| C10 | C08 | S06 | O05 | 158.6° | 62.1° |
| C10 | C08 | S06 | O07 | 35.3° | 49.5° |
| C10 | C08 | C09 | H2 | 60.3° | 60.0° |
| C10 | C08 | C09 | H3 | 59.7° | 60.0° |
| C10 | C08 | C09 | H4 | 179.7° | 180.0° |
| C08 | C10 | H5 | H6 | 120.0° | 120.0° |
| C08 | C10 | H5 | H7 | 120.0° | 120.0° |
| C08 | C10 | H6 | H7 | 120.0° | 120.0° |
| O11 | S06 | O05 | O07 | 111.7° | 127.9° |
| O11 | S06 | C08 | H1 | 165.3° | 53.6° |
| O05 | S06 | C08 | H1 | 39.0° | 57.9° |
| O07 | S06 | C08 | H1 | 84.4° | 169.5° |
| H1 | C08 | C09 | H2 | 62.5° | 180.0° |
| H1 | C08 | C09 | H3 | 177.5° | 59.9° |
| H1 | C08 | C09 | H4 | 57.5° | 60.0° |
| H1 | C08 | C10 | H5 | 57.2° | 55.0° |
| H1 | C08 | C10 | H6 | 177.2° | 64.9° |
| H1 | C08 | C10 | H7 | 62.8° | 175.0° |
| H2 | C09 | H3 | H4 | 120.0° | 120.1° |
| H5 | C10 | H6 | H7 | 120.0° | 120.1° |
| H9 | C14 | C15 | H10 | 0.3° | 0.2° |
