VV9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.44Å | |
| O02 | C03 | sing | 1.36Å | 1.42Å | |
| BR1 | C23 | sing | 1.89Å | 1.97Å | |
| C03 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| C03 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.43Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.44Å | Aromatic |
| C22 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.59Å | |
| C07 | S21 | sing | 1.84Å | 1.81Å | |
| C07 | N08 | sing | 1.47Å | 1.56Å | |
| O18 | S09 | doub | 1.42Å | 1.44Å | |
| S21 | C20 | sing | 1.84Å | 1.79Å | |
| O17 | S09 | doub | 1.42Å | 1.43Å | |
| C20 | C19 | sing | 1.55Å | 1.51Å | |
| N08 | S09 | sing | 1.66Å | 1.73Å | |
| N08 | C19 | sing | 1.46Å | 1.62Å | |
| S09 | C10 | sing | 1.76Å | 1.91Å | |
| C10 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.43Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | CL1 | sing | 1.74Å | 1.82Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.08Å | 1.08Å | |
| C05 | H9 | sing | 1.08Å | 1.08Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 116.6° | 117.0° |
| O02 | C01 | H5 | 109.5° | 109.4° |
| O02 | C01 | H6 | 109.5° | 109.4° |
| O02 | C01 | H7 | 109.5° | 109.5° |
| O02 | C03 | C04 | 118.5° | 120.0° |
| O02 | C03 | C23 | 122.0° | 120.1° |
| BR1 | C23 | C03 | 121.8° | 120.0° |
| BR1 | C23 | C22 | 116.2° | 120.0° |
| C04 | C03 | C23 | 119.5° | 119.9° |
| C03 | C04 | C05 | 119.4° | 119.9° |
| C03 | C04 | H8 | 120.3° | 120.0° |
| C03 | C23 | C22 | 122.0° | 119.9° |
| C04 | C05 | C06 | 120.6° | 120.1° |
| C05 | C04 | H8 | 120.3° | 120.1° |
| C04 | C05 | H9 | 119.7° | 119.9° |
| C23 | C22 | C06 | 119.9° | 120.0° |
| C23 | C22 | H15 | 120.0° | 120.0° |
| C05 | C06 | C22 | 118.5° | 120.2° |
| C05 | C06 | C07 | 121.6° | 119.9° |
| C06 | C05 | H9 | 119.7° | 120.0° |
| C22 | C06 | C07 | 119.9° | 119.9° |
| C06 | C22 | H15 | 120.1° | 120.0° |
| C06 | C07 | S21 | 101.4° | 110.4° |
| C06 | C07 | N08 | 127.5° | 110.3° |
| C06 | C07 | H10 | 107.3° | 110.2° |
| S21 | C07 | N08 | 105.7° | 105.0° |
| C07 | S21 | C20 | 94.0° | 94.9° |
| S21 | C07 | H10 | 105.2° | 110.4° |
| C07 | N08 | S09 | 124.4° | 122.5° |
| C07 | N08 | C19 | 108.0° | 115.0° |
| N08 | C07 | H10 | 107.7° | 110.4° |
| O18 | S09 | O17 | 107.9° | 123.2° |
| O18 | S09 | N08 | 110.1° | 106.4° |
| O18 | S09 | C10 | 108.2° | 106.4° |
| S21 | C20 | C19 | 104.5° | 99.8° |
| S21 | C20 | H13 | 110.7° | 111.3° |
| S21 | C20 | H14 | 110.7° | 111.4° |
| O17 | S09 | N08 | 111.0° | 106.4° |
| O17 | S09 | C10 | 108.8° | 106.4° |
| C20 | C19 | N08 | 110.0° | 109.5° |
| C20 | C19 | H11 | 109.3° | 109.5° |
| C20 | C19 | H12 | 109.3° | 109.5° |
| C19 | C20 | H13 | 110.7° | 111.4° |
| C19 | C20 | H14 | 110.7° | 111.3° |
| S09 | N08 | C19 | 127.5° | 122.5° |
| N08 | S09 | C10 | 110.8° | 107.2° |
| N08 | C19 | H11 | 109.4° | 109.4° |
| N08 | C19 | H12 | 109.3° | 109.4° |
| S09 | C10 | C11 | 121.8° | 120.0° |
| S09 | C10 | C16 | 123.0° | 119.9° |
| C11 | C10 | C16 | 115.2° | 120.0° |
| C10 | C11 | C12 | 123.7° | 120.1° |
| C10 | C11 | H1 | 118.1° | 120.0° |
| C10 | C16 | C15 | 123.0° | 120.0° |
| C10 | C16 | H4 | 118.5° | 120.0° |
| C11 | C12 | C13 | 118.0° | 120.0° |
| C12 | C11 | H1 | 118.2° | 120.0° |
| C11 | C12 | H2 | 121.0° | 120.1° |
| C16 | C15 | C13 | 118.4° | 120.0° |
| C16 | C15 | H3 | 120.8° | 120.0° |
| C15 | C16 | H4 | 118.5° | 120.0° |
| C12 | C13 | C15 | 121.7° | 120.0° |
| C12 | C13 | CL1 | 118.9° | 120.0° |
| C13 | C12 | H2 | 121.0° | 120.0° |
| C15 | C13 | CL1 | 119.5° | 120.0° |
| C13 | C15 | H3 | 120.8° | 120.0° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.4° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.4° | 111.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 21.0° | 0.0° |
| C01 | O02 | C03 | C23 | 159.4° | 179.8° |
| O02 | C01 | H5 | H6 | 120.0° | 119.9° |
| O02 | C01 | H5 | H7 | 120.0° | 120.0° |
| O02 | C01 | H6 | H7 | 120.0° | 120.0° |
| O02 | C03 | C23 | BR1 | 0.3° | 0.3° |
| O02 | C03 | C04 | C23 | 179.6° | 179.7° |
| O02 | C03 | C04 | C05 | 179.9° | 179.7° |
| O02 | C03 | C23 | C22 | 179.8° | 179.8° |
| C03 | O02 | C01 | H5 | 180.0° | 60.0° |
| C03 | O02 | C01 | H6 | 60.0° | 60.0° |
| C03 | O02 | C01 | H7 | 60.0° | 180.0° |
| O02 | C03 | C04 | H8 | 0.2° | 0.3° |
| BR1 | C23 | C03 | C04 | 179.9° | 180.0° |
| BR1 | C23 | C03 | C22 | 179.8° | 179.9° |
| BR1 | C23 | C22 | C06 | 180.0° | 180.0° |
| BR1 | C23 | C22 | H15 | 0.0° | 0.0° |
| C03 | C04 | C05 | H8 | 180.0° | 180.0° |
| C04 | C03 | C23 | C22 | 0.2° | 0.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C03 | C04 | C05 | H9 | 179.8° | 180.0° |
| C23 | C03 | C04 | C05 | 0.3° | 0.0° |
| C03 | C23 | C22 | C06 | 0.2° | 0.1° |
| C23 | C03 | C04 | H8 | 179.8° | 180.0° |
| C03 | C23 | C22 | H15 | 179.8° | 180.0° |
| C04 | C05 | C06 | H9 | 180.0° | 179.9° |
| C04 | C05 | C06 | C22 | 0.2° | 0.1° |
| C04 | C05 | C06 | C07 | 179.9° | 180.0° |
| C23 | C22 | C06 | C05 | 0.1° | 0.1° |
| C23 | C22 | C06 | H15 | 180.0° | 180.0° |
| C23 | C22 | C06 | C07 | 179.9° | 180.0° |
| C05 | C06 | C22 | C07 | 179.9° | 179.9° |
| C05 | C06 | C07 | S21 | 87.2° | 91.4° |
| C05 | C06 | C07 | N08 | 33.0° | 153.0° |
| C06 | C05 | C04 | H8 | 179.8° | 180.0° |
| C05 | C06 | C07 | H10 | 162.8° | 30.8° |
| C05 | C06 | C22 | H15 | 179.9° | 180.0° |
| C22 | C06 | C07 | S21 | 92.9° | 88.5° |
| C22 | C06 | C07 | N08 | 146.9° | 27.1° |
| C22 | C06 | C05 | H9 | 179.8° | 180.0° |
| C22 | C06 | C07 | H10 | 17.2° | 149.3° |
| C06 | C07 | S21 | N08 | 134.5° | 118.9° |
| C06 | C07 | S21 | H10 | 111.7° | 122.1° |
| C06 | C07 | N08 | H10 | 129.6° | 122.1° |
| C06 | C07 | S21 | C20 | 99.7° | 137.4° |
| C06 | C07 | N08 | S09 | 77.4° | 65.1° |
| C06 | C07 | N08 | C19 | 99.1° | 114.9° |
| C07 | C06 | C05 | H9 | 0.1° | 0.1° |
| C07 | C06 | C22 | H15 | 0.0° | 0.0° |
| S21 | C07 | N08 | H10 | 112.1° | 119.0° |
| C07 | S21 | C20 | C19 | 40.2° | 33.2° |
| S21 | C07 | N08 | S09 | 164.2° | 176.0° |
| S21 | C07 | N08 | C19 | 19.2° | 4.0° |
| C07 | S21 | C20 | H13 | 79.0° | 84.5° |
| C07 | S21 | C20 | H14 | 159.4° | 150.8° |
| C07 | N08 | S09 | O18 | 8.2° | 156.5° |
| N08 | C07 | S21 | C20 | 34.9° | 18.5° |
| C07 | N08 | S09 | O17 | 127.6° | 23.6° |
| C07 | N08 | C19 | C20 | 9.0° | 30.8° |
| C07 | N08 | S09 | C19 | 175.9° | 180.0° |
| C07 | N08 | S09 | C10 | 111.4° | 90.0° |
| C07 | N08 | C19 | H11 | 129.1° | 89.3° |
| C07 | N08 | C19 | H12 | 111.0° | 150.7° |
| O18 | S09 | O17 | N08 | 120.7° | 122.9° |
| O18 | S09 | O17 | C10 | 117.1° | 123.0° |
| O18 | S09 | N08 | C10 | 119.6° | 113.5° |
| O18 | S09 | N08 | C19 | 167.7° | 23.5° |
| O18 | S09 | C10 | C11 | 65.1° | 23.5° |
| O18 | S09 | C10 | C16 | 114.8° | 156.2° |
| S21 | C20 | C19 | H13 | 119.2° | 117.6° |
| S21 | C20 | C19 | H14 | 119.2° | 117.7° |
| S21 | C20 | C19 | N08 | 33.2° | 40.4° |
| C20 | S21 | C07 | H10 | 148.7° | 100.5° |
| S21 | C20 | C19 | H11 | 153.3° | 79.7° |
| S21 | C20 | C19 | H12 | 86.8° | 160.3° |
| S21 | C20 | H13 | H14 | 122.3° | 124.8° |
| O17 | S09 | N08 | C10 | 121.0° | 113.6° |
| O17 | S09 | N08 | C19 | 48.3° | 156.4° |
| O17 | S09 | C10 | C11 | 178.0° | 156.5° |
| O17 | S09 | C10 | C16 | 2.1° | 23.3° |
| C20 | C19 | N08 | S09 | 167.4° | 149.2° |
| C20 | C19 | N08 | H11 | 120.1° | 120.1° |
| C20 | C19 | N08 | H12 | 120.1° | 120.0° |
| C20 | C19 | H11 | H12 | 119.8° | 120.0° |
| C19 | C20 | H13 | H14 | 122.3° | 124.8° |
| N08 | S09 | C10 | C11 | 55.6° | 90.0° |
| N08 | S09 | C10 | C16 | 124.5° | 90.3° |
| S09 | N08 | C07 | H10 | 52.2° | 57.0° |
| S09 | N08 | C19 | H11 | 47.3° | 90.7° |
| S09 | N08 | C19 | H12 | 72.5° | 29.3° |
| C19 | N08 | S09 | C10 | 72.7° | 90.0° |
| C19 | N08 | C07 | H10 | 131.2° | 123.0° |
| N08 | C19 | H11 | H12 | 119.8° | 119.9° |
| N08 | C19 | C20 | H13 | 86.0° | 77.3° |
| N08 | C19 | C20 | H14 | 152.4° | 158.1° |
| S09 | C10 | C11 | C16 | 179.9° | 179.7° |
| S09 | C10 | C11 | C12 | 179.9° | 179.7° |
| S09 | C10 | C16 | C15 | 179.9° | 179.7° |
| S09 | C10 | C11 | H1 | 0.1° | 0.3° |
| S09 | C10 | C16 | H4 | 0.1° | 0.3° |
| C10 | C11 | C12 | H1 | 180.0° | 179.9° |
| C11 | C10 | C16 | C15 | 0.2° | 0.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C12 | H2 | 179.8° | 180.0° |
| C11 | C10 | C16 | H4 | 179.8° | 180.0° |
| C16 | C10 | C11 | C12 | 0.2° | 0.0° |
| C10 | C16 | C15 | H4 | 180.0° | 180.0° |
| C10 | C16 | C15 | C13 | 0.0° | 0.0° |
| C16 | C10 | C11 | H1 | 179.8° | 180.0° |
| C10 | C16 | C15 | H3 | 180.0° | 180.0° |
| C11 | C12 | C13 | H2 | 180.0° | 180.0° |
| C11 | C12 | C13 | C15 | 0.0° | 0.0° |
| C11 | C12 | C13 | CL1 | 179.9° | 180.0° |
| C16 | C15 | C13 | C12 | 0.0° | 0.0° |
| C16 | C15 | C13 | H3 | 180.0° | 180.0° |
| C16 | C15 | C13 | CL1 | 180.0° | 180.0° |
| C12 | C13 | C15 | CL1 | 180.0° | 180.0° |
| C13 | C12 | C11 | H1 | 179.8° | 180.0° |
| C12 | C13 | C15 | H3 | 180.0° | 180.0° |
| C15 | C13 | C12 | H2 | 179.9° | 180.0° |
| C13 | C15 | C16 | H4 | 179.9° | 180.0° |
| CL1 | C13 | C12 | H2 | 0.1° | 0.0° |
| CL1 | C13 | C15 | H3 | 0.0° | 0.1° |
| H1 | C11 | C12 | H2 | 0.2° | 0.0° |
| H3 | C15 | C16 | H4 | 0.0° | 0.0° |
| H5 | C01 | H6 | H7 | 120.0° | 120.1° |
| H8 | C04 | C05 | H9 | 0.2° | 0.0° |
| H11 | C19 | C20 | H13 | 34.1° | 162.7° |
| H11 | C19 | C20 | H14 | 87.5° | 38.0° |
| H12 | C19 | C20 | H13 | 153.9° | 42.7° |
| H12 | C19 | C20 | H14 | 32.4° | 82.0° |
