B7V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C14 | sing | 1.74Å | 1.73Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | O2 | sing | 1.36Å | 1.37Å | |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| O2 | C13 | sing | 1.43Å | 1.44Å | |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N4 | sing | 1.40Å | 1.41Å | |
| N4 | C9 | sing | 1.40Å | 1.37Å | |
| O | C1 | doub | 1.22Å | 1.23Å | |
| C9 | N3 | doub | 1.31Å | 1.31Å | Aromatic |
| C9 | C | sing | 1.42Å | 1.44Å | Aromatic |
| C4 | O1 | sing | 1.43Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| N3 | N1 | sing | 1.40Å | 1.37Å | Aromatic |
| O1 | C5 | sing | 1.43Å | 1.43Å | |
| C1 | C | sing | 1.47Å | 1.48Å | |
| C1 | N | sing | 1.35Å | 1.32Å | |
| C | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| N1 | C2 | sing | 1.34Å | 1.34Å | Aromatic |
| N1 | C3 | sing | 1.46Å | 1.48Å | |
| C3 | C7 | sing | 1.53Å | 1.57Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.47Å | 1.47Å | |
| C8 | N2 | trip | 1.14Å | 1.14Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| N4 | H10 | sing | 0.97Å | 1.00Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C14 | C15 | 119.5° | 120.0° |
| CL | C14 | C12 | 119.5° | 120.0° |
| C14 | C15 | C16 | 119.8° | 120.1° |
| C15 | C14 | C12 | 121.0° | 120.0° |
| C14 | C15 | H8 | 120.1° | 119.9° |
| C15 | C16 | C10 | 119.9° | 120.0° |
| C16 | C15 | H8 | 120.1° | 119.9° |
| C15 | C16 | H9 | 120.1° | 120.0° |
| C14 | C12 | O2 | 116.8° | 120.0° |
| C14 | C12 | C11 | 118.9° | 120.0° |
| C16 | C10 | C11 | 120.1° | 119.9° |
| C16 | C10 | N4 | 120.2° | 120.0° |
| C10 | C16 | H9 | 120.0° | 120.0° |
| O2 | C12 | C11 | 124.2° | 120.1° |
| C12 | O2 | C13 | 118.3° | 117.0° |
| C12 | C11 | C10 | 120.2° | 119.9° |
| C12 | C11 | H4 | 119.9° | 120.0° |
| O2 | C13 | H5 | 109.5° | 109.5° |
| O2 | C13 | H6 | 109.4° | 109.5° |
| O2 | C13 | H7 | 109.5° | 109.5° |
| C11 | C10 | N4 | 119.7° | 120.0° |
| C10 | C11 | H4 | 119.9° | 120.1° |
| C10 | N4 | C9 | 130.0° | 120.0° |
| C10 | N4 | H10 | 115.0° | 120.0° |
| N4 | C9 | N3 | 126.7° | 126.0° |
| N4 | C9 | C | 121.5° | 126.1° |
| C9 | N4 | H10 | 115.0° | 120.0° |
| O | C1 | C | 119.9° | 120.0° |
| O | C1 | N | 123.0° | 120.0° |
| N3 | C9 | C | 111.8° | 107.8° |
| C9 | N3 | N1 | 103.8° | 108.8° |
| C9 | C | C1 | 126.2° | 126.4° |
| C9 | C | C2 | 104.5° | 107.1° |
| O1 | C4 | C3 | 113.6° | 109.4° |
| C4 | O1 | C5 | 111.3° | 114.1° |
| O1 | C4 | H17 | 108.4° | 109.5° |
| O1 | C4 | H18 | 108.4° | 109.5° |
| C4 | C3 | N1 | 110.6° | 109.6° |
| C4 | C3 | C7 | 109.3° | 109.1° |
| C4 | C3 | H2 | 108.2° | 109.5° |
| C3 | C4 | H17 | 108.4° | 109.5° |
| C3 | C4 | H18 | 108.4° | 109.5° |
| N3 | N1 | C2 | 113.5° | 108.7° |
| N3 | N1 | C3 | 118.3° | 125.6° |
| O1 | C5 | C6 | 112.4° | 109.4° |
| O1 | C5 | H15 | 108.7° | 109.5° |
| O1 | C5 | H16 | 108.8° | 109.5° |
| C | C1 | N | 117.1° | 120.0° |
| C1 | C | C2 | 129.2° | 126.5° |
| C1 | N | H11 | 120.0° | 120.1° |
| C1 | N | H12 | 120.0° | 120.0° |
| C | C2 | N1 | 106.4° | 107.6° |
| C | C2 | H1 | 126.8° | 126.2° |
| C2 | N1 | C3 | 128.2° | 125.7° |
| N1 | C2 | H1 | 126.8° | 126.2° |
| N1 | C3 | C7 | 112.0° | 109.5° |
| N1 | C3 | H2 | 108.9° | 109.6° |
| C3 | C7 | C6 | 109.3° | 109.0° |
| C3 | C7 | C8 | 109.6° | 109.5° |
| C7 | C3 | H2 | 107.8° | 109.5° |
| C3 | C7 | H3 | 108.9° | 109.5° |
| C5 | C6 | C7 | 110.0° | 109.2° |
| C5 | C6 | H13 | 109.3° | 109.5° |
| C5 | C6 | H14 | 109.3° | 109.6° |
| C6 | C5 | H15 | 108.8° | 109.4° |
| C6 | C5 | H16 | 108.7° | 109.5° |
| C6 | C7 | C8 | 109.6° | 109.6° |
| C6 | C7 | H3 | 109.3° | 109.6° |
| C7 | C6 | H13 | 109.3° | 109.5° |
| C7 | C6 | H14 | 109.3° | 109.6° |
| C7 | C8 | N2 | 177.9° | 180.0° |
| C8 | C7 | H3 | 110.2° | 109.6° |
| H5 | C13 | H6 | 109.5° | 109.4° |
| H5 | C13 | H7 | 109.5° | 109.4° |
| H6 | C13 | H7 | 109.4° | 109.5° |
| H11 | N | H12 | 120.0° | 119.9° |
| H13 | C6 | H14 | 109.5° | 109.5° |
| H15 | C5 | H16 | 109.5° | 109.5° |
| H17 | C4 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C14 | C15 | C12 | 179.1° | 180.0° |
| CL | C14 | C15 | C16 | 179.6° | 179.8° |
| CL | C14 | C12 | O2 | 5.1° | 0.0° |
| CL | C14 | C12 | C11 | 178.4° | 179.9° |
| CL | C14 | C15 | H8 | 0.5° | 0.0° |
| C14 | C15 | C16 | H8 | 180.0° | 179.8° |
| C14 | C15 | C16 | C10 | 0.0° | 0.5° |
| C15 | C14 | C12 | O2 | 174.0° | 179.9° |
| C15 | C14 | C12 | C11 | 2.5° | 0.0° |
| C14 | C15 | C16 | H9 | 179.9° | 179.9° |
| C16 | C15 | C14 | C12 | 1.4° | 0.2° |
| C15 | C16 | C10 | H9 | 180.0° | 179.6° |
| C15 | C16 | C10 | C11 | 0.1° | 0.4° |
| C15 | C16 | C10 | N4 | 178.2° | 179.8° |
| C14 | C12 | O2 | C11 | 176.3° | 179.9° |
| C14 | C12 | O2 | C13 | 178.4° | 180.0° |
| C14 | C12 | C11 | C10 | 2.4° | 0.1° |
| C14 | C12 | C11 | H4 | 177.6° | 180.0° |
| C12 | C14 | C15 | H8 | 178.6° | 180.0° |
| C16 | C10 | C11 | C12 | 1.1° | 0.2° |
| C16 | C10 | C11 | N4 | 178.2° | 179.8° |
| C16 | C10 | N4 | C9 | 175.6° | 25.5° |
| C16 | C10 | C11 | H4 | 178.9° | 179.8° |
| C10 | C16 | C15 | H8 | 179.9° | 179.8° |
| C16 | C10 | N4 | H10 | 4.3° | 154.5° |
| O2 | C12 | C11 | C10 | 173.8° | 180.0° |
| O2 | C12 | C11 | H4 | 6.2° | 0.1° |
| C12 | O2 | C13 | H5 | 180.0° | 60.0° |
| C12 | O2 | C13 | H6 | 60.0° | 180.0° |
| C12 | O2 | C13 | H7 | 60.0° | 60.0° |
| C11 | C12 | O2 | C13 | 5.3° | 0.0° |
| C12 | C11 | C10 | H4 | 180.0° | 180.0° |
| C12 | C11 | C10 | N4 | 179.4° | 180.0° |
| O2 | C13 | H5 | H6 | 120.0° | 120.0° |
| O2 | C13 | H5 | H7 | 120.0° | 120.0° |
| O2 | C13 | H6 | H7 | 120.0° | 120.0° |
| C11 | C10 | N4 | C9 | 2.6° | 154.6° |
| C11 | C10 | C16 | H9 | 179.9° | 180.0° |
| C11 | C10 | N4 | H10 | 177.4° | 25.3° |
| C10 | N4 | C9 | H10 | 180.0° | 180.0° |
| C10 | N4 | C9 | N3 | 0.8° | 5.6° |
| C10 | N4 | C9 | C | 177.2° | 174.3° |
| N4 | C10 | C11 | H4 | 0.6° | 0.0° |
| N4 | C10 | C16 | H9 | 1.8° | 0.2° |
| N4 | C9 | N3 | C | 178.1° | 179.9° |
| N4 | C9 | N3 | N1 | 177.1° | 180.0° |
| N4 | C9 | C | C1 | 1.5° | 0.0° |
| N4 | C9 | C | C2 | 177.6° | 179.9° |
| O | C1 | C | C9 | 4.8° | 0.4° |
| O | C1 | C | N | 179.0° | 179.6° |
| O | C1 | C | C2 | 174.1° | 179.8° |
| O | C1 | N | H11 | 0.0° | 179.7° |
| O | C1 | N | H12 | 180.0° | 0.3° |
| N3 | C9 | C | C1 | 179.8° | 179.9° |
| N3 | C9 | C | C2 | 0.7° | 0.2° |
| C9 | N3 | N1 | C2 | 1.0° | 0.1° |
| C9 | N3 | N1 | C3 | 176.9° | 180.0° |
| N3 | C9 | N4 | H10 | 179.3° | 174.4° |
| C | C9 | N3 | N1 | 1.0° | 0.1° |
| C9 | C | C1 | C2 | 178.9° | 179.9° |
| C9 | C | C1 | N | 174.2° | 180.0° |
| C9 | C | C2 | N1 | 0.0° | 0.3° |
| C9 | C | C2 | H1 | 180.0° | 180.0° |
| C | C9 | N4 | H10 | 2.8° | 5.7° |
| O1 | C4 | C3 | H17 | 120.6° | 120.0° |
| O1 | C4 | C3 | H18 | 120.6° | 120.0° |
| O1 | C4 | C3 | N1 | 177.6° | 177.5° |
| O1 | C4 | C3 | C7 | 53.9° | 57.6° |
| C4 | O1 | C5 | C6 | 59.4° | 61.2° |
| O1 | C4 | C3 | H2 | 63.2° | 62.2° |
| C4 | O1 | C5 | H15 | 179.8° | 58.8° |
| C4 | O1 | C5 | H16 | 61.1° | 178.9° |
| O1 | C4 | H17 | H18 | 118.1° | 120.0° |
| C4 | C3 | N1 | N3 | 53.3° | 145.3° |
| C3 | C4 | O1 | C5 | 57.4° | 61.2° |
| C4 | C3 | N1 | C2 | 124.3° | 34.9° |
| C4 | C3 | N1 | C7 | 122.2° | 119.7° |
| C4 | C3 | N1 | H2 | 118.8° | 120.2° |
| C4 | C3 | C7 | H2 | 117.4° | 119.8° |
| C4 | C3 | C7 | C6 | 51.9° | 57.0° |
| C4 | C3 | C7 | C8 | 172.0° | 176.8° |
| C4 | C3 | C7 | H3 | 67.4° | 62.9° |
| C3 | C4 | H17 | H18 | 118.1° | 120.0° |
| N3 | N1 | C2 | C | 0.6° | 0.3° |
| N3 | N1 | C2 | C3 | 177.7° | 179.8° |
| N3 | N1 | C3 | C7 | 68.9° | 95.0° |
| N3 | N1 | C2 | H1 | 179.4° | 180.0° |
| N3 | N1 | C3 | H2 | 172.1° | 25.2° |
| O1 | C5 | C6 | H15 | 120.4° | 120.0° |
| O1 | C5 | C6 | H16 | 120.5° | 120.0° |
| O1 | C5 | C6 | C7 | 59.0° | 57.6° |
| O1 | C5 | C6 | H13 | 61.1° | 177.5° |
| O1 | C5 | C6 | H14 | 179.1° | 62.4° |
| O1 | C5 | H15 | H16 | 118.7° | 120.1° |
| C5 | O1 | C4 | H17 | 63.2° | 178.8° |
| C5 | O1 | C4 | H18 | 178.0° | 58.8° |
| C1 | C | C2 | N1 | 179.1° | 179.8° |
| C1 | C | C2 | H1 | 0.9° | 0.1° |
| C | C1 | N | H11 | 179.0° | 0.1° |
| C | C1 | N | H12 | 1.0° | 180.0° |
| N | C1 | C | C2 | 6.9° | 0.1° |
| C1 | N | H11 | H12 | 180.0° | 180.0° |
| C | C2 | N1 | H1 | 180.0° | 179.7° |
| C | C2 | N1 | C3 | 177.1° | 179.9° |
| C2 | N1 | C3 | C7 | 113.5° | 84.8° |
| C2 | N1 | C3 | H2 | 5.5° | 155.0° |
| N1 | C3 | C7 | H2 | 119.7° | 120.2° |
| N1 | C3 | C7 | C6 | 174.8° | 176.9° |
| N1 | C3 | C7 | C8 | 65.1° | 63.2° |
| C3 | N1 | C2 | H1 | 3.0° | 0.2° |
| N1 | C3 | C7 | H3 | 55.5° | 57.0° |
| N1 | C3 | C4 | H17 | 57.0° | 62.5° |
| N1 | C3 | C4 | H18 | 61.8° | 57.5° |
| C3 | C7 | C6 | C5 | 54.7° | 57.0° |
| C3 | C7 | C6 | C8 | 120.1° | 119.8° |
| C3 | C7 | C6 | H3 | 119.1° | 119.9° |
| C3 | C7 | C8 | H3 | 119.8° | 120.2° |
| C3 | C7 | C8 | N2 | 169.0° | 176.6° |
| C3 | C7 | C6 | H13 | 65.4° | 176.9° |
| C3 | C7 | C6 | H14 | 174.7° | 63.0° |
| C7 | C3 | C4 | H17 | 66.8° | 177.6° |
| C7 | C3 | C4 | H18 | 174.5° | 62.4° |
| C5 | C6 | C7 | H13 | 120.1° | 119.9° |
| C5 | C6 | C7 | H14 | 120.1° | 120.0° |
| C5 | C6 | C7 | C8 | 174.7° | 176.8° |
| C5 | C6 | C7 | H3 | 64.4° | 62.9° |
| C5 | C6 | H13 | H14 | 119.7° | 120.1° |
| C6 | C5 | H15 | H16 | 118.7° | 120.0° |
| C6 | C7 | C8 | H3 | 120.3° | 120.3° |
| C6 | C7 | C8 | N2 | 49.1° | 63.9° |
| C6 | C7 | C3 | H2 | 65.5° | 62.9° |
| C7 | C6 | H13 | H14 | 119.7° | 120.2° |
| C7 | C6 | C5 | H15 | 179.4° | 62.4° |
| C7 | C6 | C5 | H16 | 61.5° | 177.7° |
| C8 | C7 | C3 | H2 | 54.6° | 57.0° |
| C8 | C7 | C6 | H13 | 54.7° | 63.3° |
| C8 | C7 | C6 | H14 | 65.2° | 56.8° |
| N2 | C8 | C7 | H3 | 71.2° | 56.4° |
| H2 | C3 | C7 | H3 | 175.2° | 177.2° |
| H2 | C3 | C4 | H17 | 176.1° | 57.7° |
| H2 | C3 | C4 | H18 | 57.4° | 177.7° |
| H3 | C7 | C6 | H13 | 175.5° | 57.0° |
| H3 | C7 | C6 | H14 | 55.6° | 177.2° |
| H5 | C13 | H6 | H7 | 120.0° | 119.9° |
| H8 | C15 | C16 | H9 | 0.1° | 0.2° |
| H13 | C6 | C5 | H15 | 59.3° | 57.6° |
| H13 | C6 | C5 | H16 | 178.4° | 62.4° |
| H14 | C6 | C5 | H15 | 60.5° | 177.6° |
| H14 | C6 | C5 | H16 | 58.6° | 57.7° |
