V0C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | C2 | sing | 1.89Å | 1.89Å | |
| N | C7 | trip | 1.14Å | 1.14Å | |
| C1 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.47Å | 1.49Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | N1 | sing | 1.47Å | 1.47Å | |
| C11 | N1 | sing | 1.47Å | 1.46Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C10 | N2 | sing | 1.47Å | 1.49Å | |
| C9 | N2 | sing | 1.47Å | 1.49Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H2 | sing | 1.01Å | 1.00Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | C2 | C1 | 118.8° | 120.0° |
| BR | C2 | C3 | 119.7° | 120.0° |
| N | C7 | C6 | 177.5° | 180.0° |
| C | C1 | C2 | 119.2° | 119.9° |
| C1 | C | C5 | 121.2° | 120.1° |
| C | C1 | H4 | 120.4° | 120.0° |
| C1 | C | H3 | 119.4° | 120.0° |
| C1 | C2 | C3 | 121.4° | 120.0° |
| C2 | C1 | H4 | 120.4° | 120.0° |
| C | C5 | C6 | 120.5° | 120.0° |
| C | C5 | C4 | 118.1° | 120.0° |
| C5 | C | H3 | 119.4° | 120.0° |
| C2 | C3 | C4 | 118.9° | 120.0° |
| C2 | C3 | H5 | 120.5° | 120.0° |
| C7 | C6 | C5 | 113.5° | 109.5° |
| C7 | C6 | N1 | 113.3° | 109.5° |
| C7 | C6 | H | 107.1° | 109.5° |
| C6 | C5 | C4 | 121.4° | 120.0° |
| C5 | C6 | N1 | 108.6° | 109.4° |
| C5 | C6 | H | 106.7° | 109.5° |
| C5 | C4 | C3 | 121.2° | 120.0° |
| C5 | C4 | H6 | 119.4° | 120.0° |
| C3 | C4 | H6 | 119.4° | 120.0° |
| C4 | C3 | H5 | 120.5° | 120.0° |
| C6 | N1 | C11 | 111.4° | 111.0° |
| C6 | N1 | C8 | 111.5° | 111.0° |
| N1 | C6 | H | 107.3° | 109.5° |
| N1 | C11 | C10 | 110.7° | 109.3° |
| C11 | N1 | C8 | 109.5° | 110.9° |
| N1 | C11 | H14 | 109.2° | 109.5° |
| N1 | C11 | H13 | 109.2° | 109.5° |
| C11 | C10 | N2 | 110.3° | 109.4° |
| C10 | C11 | H14 | 109.2° | 109.6° |
| C10 | C11 | H13 | 109.2° | 109.5° |
| C11 | C10 | H11 | 109.3° | 109.5° |
| C11 | C10 | H12 | 109.3° | 109.5° |
| N1 | C8 | C9 | 107.6° | 109.4° |
| N1 | C8 | H8 | 110.0° | 109.5° |
| N1 | C8 | H7 | 109.9° | 109.5° |
| C8 | C9 | N2 | 110.3° | 109.4° |
| C9 | C8 | H8 | 109.9° | 109.5° |
| C9 | C8 | H7 | 109.9° | 109.5° |
| C8 | C9 | H10 | 109.3° | 109.5° |
| C8 | C9 | H9 | 109.2° | 109.5° |
| C10 | N2 | C9 | 111.5° | 110.9° |
| C10 | N2 | H2 | 109.0° | 111.0° |
| N2 | C10 | H11 | 109.3° | 109.5° |
| N2 | C10 | H12 | 109.3° | 109.5° |
| C9 | N2 | H2 | 109.0° | 111.0° |
| N2 | C9 | H10 | 109.2° | 109.5° |
| N2 | C9 | H9 | 109.2° | 109.6° |
| H8 | C8 | H7 | 109.4° | 109.5° |
| H10 | C9 | H9 | 109.5° | 109.4° |
| H14 | C11 | H13 | 109.4° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C2 | C1 | C | 177.6° | 180.0° |
| BR | C2 | C1 | C3 | 179.1° | 180.0° |
| BR | C2 | C3 | C4 | 178.3° | 180.0° |
| BR | C2 | C1 | H4 | 2.4° | 0.3° |
| BR | C2 | C3 | H5 | 1.7° | 0.1° |
| N | C7 | C6 | C5 | 10.1° | 107.9° |
| N | C7 | C6 | N1 | 114.3° | 132.1° |
| N | C7 | C6 | H | 127.6° | 12.1° |
| C | C1 | C2 | H4 | 180.0° | 179.8° |
| C1 | C | C5 | H3 | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 1.5° | 0.0° |
| C1 | C | C5 | C6 | 175.9° | 180.0° |
| C1 | C | C5 | C4 | 1.0° | 0.0° |
| C2 | C1 | C | C5 | 0.6° | 0.0° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C1 | C2 | C3 | H5 | 179.2° | 180.0° |
| C2 | C1 | C | H3 | 179.4° | 180.0° |
| C | C5 | C6 | C7 | 40.8° | 105.8° |
| C | C5 | C6 | C4 | 176.8° | 179.9° |
| C | C5 | C4 | C3 | 1.8° | 0.0° |
| C | C5 | C6 | N1 | 86.1° | 134.2° |
| C5 | C | C1 | H4 | 179.5° | 179.8° |
| C | C5 | C6 | H | 158.5° | 14.2° |
| C | C5 | C4 | H6 | 178.1° | 180.0° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C2 | C3 | C4 | H5 | 180.0° | 179.9° |
| C3 | C2 | C1 | H4 | 178.5° | 179.8° |
| C2 | C3 | C4 | H6 | 179.0° | 180.0° |
| C7 | C6 | C5 | N1 | 126.9° | 120.0° |
| C7 | C6 | C5 | H | 117.7° | 120.0° |
| C7 | C6 | C5 | C4 | 136.0° | 74.1° |
| C7 | C6 | N1 | H | 118.0° | 120.0° |
| C7 | C6 | N1 | C11 | 87.3° | 55.5° |
| C7 | C6 | N1 | C8 | 35.4° | 179.3° |
| C6 | C5 | C4 | C3 | 175.1° | 179.9° |
| C5 | C6 | N1 | H | 115.0° | 120.0° |
| C5 | C6 | N1 | C11 | 39.8° | 175.5° |
| C5 | C6 | N1 | C8 | 162.5° | 60.7° |
| C6 | C5 | C4 | H6 | 5.0° | 0.1° |
| C6 | C5 | C | H3 | 4.1° | 0.1° |
| C5 | C4 | C3 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 97.1° | 45.9° |
| C4 | C5 | C6 | H | 18.3° | 165.9° |
| C5 | C4 | C3 | H5 | 179.1° | 180.0° |
| C4 | C5 | C | H3 | 178.9° | 180.0° |
| C6 | N1 | C11 | C8 | 123.8° | 123.8° |
| C6 | N1 | C11 | C10 | 160.4° | 176.8° |
| C6 | N1 | C8 | C9 | 162.7° | 176.9° |
| C6 | N1 | C8 | H8 | 43.0° | 56.8° |
| C6 | N1 | C8 | H7 | 77.6° | 63.2° |
| C6 | N1 | C11 | H14 | 40.2° | 63.2° |
| C6 | N1 | C11 | H13 | 79.4° | 56.9° |
| N1 | C11 | C10 | H14 | 120.2° | 120.0° |
| N1 | C11 | C10 | H13 | 120.2° | 119.9° |
| C11 | N1 | C8 | C9 | 73.6° | 59.3° |
| N1 | C11 | C10 | N2 | 28.9° | 58.4° |
| C11 | N1 | C8 | H8 | 166.7° | 179.3° |
| C11 | N1 | C8 | H7 | 46.1° | 60.6° |
| C11 | N1 | C6 | H | 154.8° | 64.5° |
| N1 | C11 | H14 | H13 | 119.4° | 120.0° |
| N1 | C11 | C10 | H11 | 91.2° | 61.5° |
| N1 | C11 | C10 | H12 | 149.0° | 178.4° |
| C10 | C11 | N1 | C8 | 36.7° | 59.4° |
| C11 | C10 | N2 | H11 | 120.1° | 120.0° |
| C11 | C10 | N2 | H12 | 120.1° | 119.9° |
| C11 | C10 | N2 | C9 | 63.1° | 59.3° |
| C11 | C10 | N2 | H2 | 176.6° | 64.5° |
| C10 | C11 | H14 | H13 | 119.5° | 120.1° |
| C11 | C10 | H11 | H12 | 119.6° | 120.1° |
| N1 | C8 | C9 | H8 | 119.7° | 120.0° |
| N1 | C8 | C9 | H7 | 119.7° | 119.9° |
| N1 | C8 | C9 | N2 | 38.1° | 58.4° |
| N1 | C8 | H8 | H7 | 120.9° | 120.0° |
| N1 | C8 | C9 | H10 | 82.0° | 61.6° |
| N1 | C8 | C9 | H9 | 158.2° | 178.5° |
| C8 | N1 | C6 | H | 82.6° | 59.3° |
| C8 | N1 | C11 | H14 | 83.6° | 60.7° |
| C8 | N1 | C11 | H13 | 156.9° | 179.3° |
| C8 | C9 | N2 | C10 | 26.7° | 59.3° |
| C8 | C9 | N2 | H10 | 120.1° | 120.0° |
| C8 | C9 | N2 | H9 | 120.1° | 120.1° |
| C9 | C8 | H8 | H7 | 120.8° | 120.0° |
| C8 | C9 | N2 | H2 | 147.0° | 64.6° |
| C8 | C9 | H10 | H9 | 119.6° | 120.0° |
| C10 | N2 | C9 | H2 | 120.3° | 123.9° |
| C10 | N2 | C9 | H10 | 146.8° | 60.7° |
| C10 | N2 | C9 | H9 | 93.4° | 179.3° |
| N2 | C10 | C11 | H14 | 149.1° | 61.6° |
| N2 | C10 | C11 | H13 | 91.3° | 178.4° |
| N2 | C10 | H11 | H12 | 119.6° | 120.0° |
| N2 | C9 | C8 | H8 | 157.9° | 178.4° |
| N2 | C9 | C8 | H7 | 81.6° | 61.6° |
| N2 | C9 | H10 | H9 | 119.6° | 120.1° |
| C9 | N2 | C10 | H11 | 57.1° | 60.6° |
| C9 | N2 | C10 | H12 | 176.8° | 179.3° |
| H8 | C8 | C9 | H10 | 37.8° | 58.4° |
| H8 | C8 | C9 | H9 | 82.0° | 61.5° |
| H7 | C8 | C9 | H10 | 158.3° | 178.5° |
| H7 | C8 | C9 | H9 | 38.5° | 58.5° |
| H2 | N2 | C9 | H10 | 92.9° | 175.5° |
| H2 | N2 | C9 | H9 | 26.9° | 55.5° |
| H2 | N2 | C10 | H11 | 63.3° | 175.5° |
| H2 | N2 | C10 | H12 | 56.5° | 55.4° |
| H4 | C1 | C | H3 | 0.5° | 0.2° |
| H6 | C4 | C3 | H5 | 0.9° | 0.0° |
| H14 | C11 | C10 | H11 | 29.0° | 178.5° |
| H14 | C11 | C10 | H12 | 90.8° | 58.4° |
| H13 | C11 | C10 | H11 | 148.6° | 58.4° |
| H13 | C11 | C10 | H12 | 28.9° | 61.7° |
