B5V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | C29 | sing | 1.43Å | 1.40Å | |
| C29 | C31 | sing | 1.55Å | 1.52Å | |
| C29 | C13 | sing | 1.55Å | 1.58Å | |
| C31 | O32 | sing | 1.43Å | 1.41Å | |
| C31 | C11 | sing | 1.54Å | 1.36Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | O12 | sing | 1.44Å | 1.32Å | |
| N10 | C09 | doub | 1.32Å | 1.33Å | Aromatic |
| N10 | C02 | sing | 1.33Å | 1.33Å | Aromatic |
| C09 | N08 | sing | 1.32Å | 1.33Å | Aromatic |
| N01 | C02 | sing | 1.38Å | 1.45Å | |
| C02 | C03 | doub | 1.40Å | 1.43Å | Aromatic |
| N08 | C07 | doub | 1.33Å | 1.36Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | C07 | sing | 1.41Å | 1.37Å | Aromatic |
| C03 | N04 | sing | 1.35Å | 1.36Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | N06 | sing | 1.37Å | 1.37Å | Aromatic |
| N04 | C05 | doub | 1.30Å | 1.34Å | Aromatic |
| N06 | C11 | sing | 1.46Å | 1.48Å | |
| N06 | C05 | sing | 1.36Å | 1.36Å | Aromatic |
| C11 | O12 | sing | 1.43Å | 1.61Å | |
| C14 | O15 | sing | 1.43Å | 1.41Å | |
| O25 | C24 | sing | 1.36Å | 1.39Å | |
| C24 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| O27 | P16 | doub | 1.48Å | 1.52Å | |
| C19 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.47Å | 1.53Å | |
| O15 | P16 | sing | 1.61Å | 1.66Å | |
| O17 | C18 | sing | 1.35Å | 1.41Å | |
| O17 | P16 | sing | 1.61Å | 1.66Å | |
| C18 | O26 | doub | 1.22Å | 1.19Å | |
| P16 | O28 | sing | 1.61Å | 1.52Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| N01 | H13 | sing | 0.97Å | 1.00Å | |
| N01 | H14 | sing | 0.97Å | 1.00Å | |
| O25 | H15 | sing | 0.97Å | 0.95Å | |
| O28 | H16 | sing | 0.97Å | 0.95Å | |
| O30 | H17 | sing | 0.97Å | 0.95Å | |
| O32 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | C29 | C31 | 112.6° | 111.1° |
| O30 | C29 | C13 | 115.0° | 111.1° |
| O30 | C29 | H11 | 109.3° | 111.0° |
| C29 | O30 | H17 | 109.5° | 114.0° |
| C31 | C29 | C13 | 104.8° | 101.0° |
| C29 | C31 | O32 | 109.6° | 110.9° |
| C29 | C31 | C11 | 106.1° | 102.3° |
| C31 | C29 | H11 | 107.8° | 111.2° |
| C29 | C31 | H12 | 107.5° | 110.9° |
| C29 | C13 | C14 | 118.3° | 110.3° |
| C29 | C13 | O12 | 106.9° | 105.1° |
| C29 | C13 | H1 | 105.3° | 110.4° |
| C13 | C29 | H11 | 107.0° | 111.1° |
| O32 | C31 | C11 | 114.8° | 110.8° |
| O32 | C31 | H12 | 109.0° | 110.7° |
| C31 | O32 | H18 | 109.5° | 114.0° |
| C31 | C11 | N06 | 131.0° | 109.9° |
| C31 | C11 | O12 | 105.6° | 107.6° |
| C31 | C11 | H7 | 109.4° | 109.8° |
| C11 | C31 | H12 | 109.7° | 111.0° |
| C14 | C13 | O12 | 111.3° | 110.3° |
| C13 | C14 | O15 | 103.5° | 109.5° |
| C14 | C13 | H1 | 105.9° | 110.3° |
| C13 | C14 | H8 | 110.9° | 109.5° |
| C13 | C14 | H9 | 110.9° | 109.5° |
| C13 | O12 | C11 | 108.4° | 110.0° |
| O12 | C13 | H1 | 108.6° | 110.3° |
| C09 | N10 | C02 | 120.9° | 121.2° |
| N10 | C09 | N08 | 121.2° | 122.5° |
| N10 | C09 | H6 | 119.4° | 118.8° |
| N10 | C02 | N01 | 120.0° | 120.8° |
| N10 | C02 | C03 | 119.3° | 118.5° |
| C09 | N08 | C07 | 121.7° | 120.6° |
| N08 | C09 | H6 | 119.4° | 118.7° |
| N01 | C02 | C03 | 120.6° | 120.8° |
| C02 | N01 | H13 | 109.5° | 120.0° |
| C02 | N01 | H14 | 109.5° | 120.0° |
| C02 | C03 | C07 | 118.2° | 118.2° |
| C02 | C03 | N04 | 133.1° | 134.7° |
| N08 | C07 | C03 | 118.6° | 119.1° |
| N08 | C07 | N06 | 134.1° | 134.9° |
| C22 | C23 | C24 | 119.2° | 120.1° |
| C23 | C22 | C21 | 120.8° | 120.4° |
| C23 | C22 | H4 | 119.6° | 119.8° |
| C22 | C23 | H10 | 120.4° | 119.9° |
| C23 | C24 | O25 | 119.7° | 120.2° |
| C23 | C24 | C19 | 120.4° | 119.7° |
| C24 | C23 | H10 | 120.4° | 120.0° |
| C07 | C03 | N04 | 108.6° | 107.1° |
| C03 | C07 | N06 | 107.2° | 106.1° |
| C03 | N04 | C05 | 107.2° | 109.5° |
| C22 | C21 | C20 | 119.5° | 120.3° |
| C22 | C21 | H3 | 120.2° | 119.8° |
| C21 | C22 | H4 | 119.6° | 119.8° |
| C07 | N06 | C11 | 123.5° | 126.3° |
| C07 | N06 | C05 | 107.0° | 107.4° |
| N04 | C05 | N06 | 109.9° | 110.0° |
| N04 | C05 | H5 | 125.1° | 125.0° |
| C11 | N06 | C05 | 129.4° | 126.3° |
| N06 | C11 | O12 | 93.1° | 109.9° |
| N06 | C11 | H7 | 107.8° | 109.8° |
| N06 | C05 | H5 | 125.0° | 125.0° |
| O12 | C11 | H7 | 106.3° | 109.8° |
| C14 | O15 | P16 | 124.5° | 123.0° |
| O15 | C14 | H8 | 110.9° | 109.5° |
| O15 | C14 | H9 | 111.0° | 109.5° |
| O25 | C24 | C19 | 119.8° | 120.1° |
| C24 | O25 | H15 | 109.5° | 114.0° |
| C24 | C19 | C20 | 120.1° | 119.6° |
| C24 | C19 | C18 | 119.6° | 120.2° |
| C21 | C20 | C19 | 120.0° | 119.9° |
| C21 | C20 | H2 | 120.0° | 120.1° |
| C20 | C21 | H3 | 120.2° | 119.9° |
| O27 | P16 | O15 | 110.1° | 109.5° |
| O27 | P16 | O17 | 108.9° | 109.4° |
| O27 | P16 | O28 | 111.2° | 109.5° |
| C20 | C19 | C18 | 120.3° | 120.2° |
| C19 | C20 | H2 | 120.0° | 120.1° |
| C19 | C18 | O17 | 118.8° | 120.0° |
| C19 | C18 | O26 | 120.1° | 120.0° |
| O15 | P16 | O17 | 113.3° | 109.5° |
| O15 | P16 | O28 | 106.8° | 109.5° |
| C18 | O17 | P16 | 122.2° | 117.1° |
| O17 | C18 | O26 | 121.1° | 119.9° |
| O17 | P16 | O28 | 106.5° | 109.4° |
| P16 | O28 | H16 | 109.5° | 114.0° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H13 | N01 | H14 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C29 | C31 | C13 | 125.7° | 117.9° |
| O30 | C29 | C31 | H11 | 120.6° | 124.1° |
| O30 | C29 | C13 | H11 | 121.6° | 124.1° |
| O30 | C29 | C31 | O32 | 24.8° | 34.4° |
| O30 | C29 | C31 | C11 | 149.3° | 83.8° |
| O30 | C29 | C13 | C14 | 5.0° | 37.4° |
| O30 | C29 | C13 | O12 | 131.5° | 81.5° |
| O30 | C29 | C13 | H1 | 113.1° | 159.6° |
| O30 | C29 | C31 | H12 | 93.4° | 157.8° |
| C31 | C29 | C13 | H11 | 114.3° | 118.0° |
| C29 | C31 | O32 | C11 | 119.2° | 112.9° |
| C29 | C31 | O32 | H12 | 117.3° | 123.5° |
| C29 | C31 | C11 | H12 | 115.8° | 118.3° |
| C31 | C29 | C13 | C14 | 119.2° | 155.4° |
| C31 | C29 | C13 | O12 | 7.3° | 36.4° |
| C29 | C31 | C11 | N06 | 79.8° | 140.9° |
| C29 | C31 | C11 | O12 | 28.7° | 21.3° |
| C31 | C29 | C13 | H1 | 122.7° | 82.5° |
| C29 | C31 | C11 | H7 | 142.7° | 98.2° |
| C31 | C29 | O30 | H17 | 180.0° | 61.5° |
| C29 | C31 | O32 | H18 | 180.0° | 61.5° |
| C13 | C29 | C31 | O32 | 100.8° | 152.3° |
| C13 | C29 | C31 | C11 | 23.7° | 34.1° |
| C29 | C13 | C14 | O12 | 124.4° | 115.7° |
| C29 | C13 | C14 | H1 | 117.8° | 122.2° |
| C29 | C13 | O12 | H1 | 113.2° | 119.0° |
| C29 | C13 | O12 | C11 | 9.3° | 24.4° |
| C29 | C13 | C14 | O15 | 166.1° | 177.8° |
| C29 | C13 | C14 | H8 | 47.0° | 62.2° |
| C29 | C13 | C14 | H9 | 74.9° | 57.8° |
| C13 | C29 | C31 | H12 | 140.9° | 84.3° |
| C13 | C29 | O30 | H17 | 60.0° | 173.0° |
| O32 | C31 | C11 | H12 | 123.1° | 123.5° |
| O32 | C31 | C11 | N06 | 159.0° | 100.8° |
| O32 | C31 | C11 | O12 | 92.5° | 139.6° |
| O32 | C31 | C11 | H7 | 21.5° | 20.1° |
| O32 | C31 | C29 | H11 | 145.4° | 89.8° |
| C31 | C11 | O12 | C13 | 25.3° | 1.7° |
| C31 | C11 | N06 | C07 | 79.3° | 85.3° |
| C31 | C11 | N06 | O12 | 113.8° | 118.2° |
| C31 | C11 | N06 | H7 | 138.0° | 120.9° |
| C31 | C11 | N06 | C05 | 99.3° | 94.6° |
| C31 | C11 | O12 | H7 | 116.2° | 119.5° |
| C11 | C31 | C29 | H11 | 90.1° | 152.0° |
| C11 | C31 | O32 | H18 | 60.8° | 174.3° |
| C14 | C13 | O12 | H1 | 116.2° | 122.1° |
| C14 | C13 | O12 | C11 | 139.9° | 143.4° |
| C13 | C14 | O15 | H8 | 119.0° | 120.0° |
| C13 | C14 | O15 | H9 | 119.0° | 120.0° |
| C13 | C14 | O15 | P16 | 122.7° | 180.0° |
| C13 | C14 | H8 | H9 | 122.7° | 120.0° |
| C14 | C13 | C29 | H11 | 126.5° | 86.7° |
| C13 | O12 | C11 | N06 | 109.0° | 117.9° |
| O12 | C13 | C14 | O15 | 41.6° | 66.4° |
| C13 | O12 | C11 | H7 | 141.5° | 121.2° |
| O12 | C13 | C14 | H8 | 77.4° | 53.6° |
| O12 | C13 | C14 | H9 | 160.7° | 173.6° |
| O12 | C13 | C29 | H11 | 106.9° | 154.4° |
| N10 | C09 | N08 | H6 | 180.0° | 179.8° |
| C09 | N10 | C02 | N01 | 179.7° | 179.8° |
| C09 | N10 | C02 | C03 | 0.5° | 0.4° |
| N10 | C09 | N08 | C07 | 0.5° | 0.2° |
| C02 | N10 | C09 | N08 | 0.0° | 0.5° |
| N10 | C02 | N01 | C03 | 179.8° | 179.7° |
| N10 | C02 | C03 | C07 | 0.5° | 0.2° |
| N10 | C02 | C03 | N04 | 179.8° | 179.8° |
| C02 | N10 | C09 | H6 | 180.0° | 179.8° |
| N10 | C02 | N01 | H13 | 0.0° | 179.8° |
| N10 | C02 | N01 | H14 | 120.0° | 0.3° |
| C09 | N08 | C07 | C03 | 0.4° | 0.0° |
| C09 | N08 | C07 | N06 | 179.8° | 179.9° |
| N01 | C02 | C03 | C07 | 179.7° | 180.0° |
| N01 | C02 | C03 | N04 | 0.1° | 0.1° |
| C02 | N01 | H13 | H14 | 120.0° | 180.0° |
| C02 | C03 | C07 | N08 | 0.0° | 0.0° |
| C02 | C03 | C07 | N04 | 179.8° | 180.0° |
| C02 | C03 | C07 | N06 | 179.8° | 180.0° |
| C02 | C03 | N04 | C05 | 179.6° | 180.0° |
| C03 | C02 | N01 | H13 | 179.8° | 0.0° |
| C03 | C02 | N01 | H14 | 60.1° | 180.0° |
| N08 | C07 | C03 | N06 | 179.8° | 180.0° |
| N08 | C07 | C03 | N04 | 179.8° | 180.0° |
| N08 | C07 | N06 | C11 | 1.5° | 0.1° |
| N08 | C07 | N06 | C05 | 179.6° | 180.0° |
| C07 | N08 | C09 | H6 | 179.5° | 180.0° |
| C22 | C23 | C24 | H10 | 180.0° | 179.8° |
| C23 | C22 | C21 | H4 | 180.0° | 179.9° |
| C22 | C23 | C24 | O25 | 179.7° | 179.7° |
| C22 | C23 | C24 | C19 | 0.3° | 0.3° |
| C23 | C22 | C21 | C20 | 0.1° | 0.0° |
| C23 | C22 | C21 | H3 | 179.9° | 180.0° |
| C24 | C23 | C22 | C21 | 0.0° | 0.3° |
| C23 | C24 | O25 | C19 | 179.4° | 180.0° |
| C23 | C24 | C19 | C20 | 0.7° | 0.0° |
| C23 | C24 | C19 | C18 | 179.4° | 179.9° |
| C24 | C23 | C22 | H4 | 180.0° | 179.8° |
| C23 | C24 | O25 | H15 | 180.0° | 89.9° |
| C07 | C03 | N04 | C05 | 0.2° | 0.0° |
| C03 | C07 | N06 | C11 | 178.7° | 179.9° |
| C03 | C07 | N06 | C05 | 0.2° | 0.0° |
| N04 | C03 | C07 | N06 | 0.0° | 0.0° |
| C03 | N04 | C05 | N06 | 0.3° | 0.0° |
| C03 | N04 | C05 | H5 | 179.7° | 180.0° |
| C22 | C21 | C20 | H3 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.4° | 0.3° |
| C22 | C21 | C20 | H2 | 179.6° | 180.0° |
| C21 | C22 | C23 | H10 | 180.0° | 180.0° |
| C07 | N06 | C05 | N04 | 0.3° | 0.0° |
| C07 | N06 | C11 | C05 | 178.6° | 179.9° |
| C07 | N06 | C11 | O12 | 166.8° | 156.5° |
| C07 | N06 | C05 | H5 | 179.7° | 180.0° |
| C07 | N06 | C11 | H7 | 58.7° | 35.6° |
| N04 | C05 | N06 | C11 | 178.5° | 179.9° |
| N04 | C05 | N06 | H5 | 180.0° | 180.0° |
| N06 | C11 | O12 | H7 | 109.5° | 120.9° |
| C11 | N06 | C05 | H5 | 1.5° | 0.1° |
| N06 | C11 | C31 | H12 | 35.9° | 22.7° |
| C05 | N06 | C11 | O12 | 14.5° | 23.6° |
| C05 | N06 | C11 | H7 | 122.7° | 144.5° |
| C11 | O12 | C13 | H1 | 103.9° | 94.6° |
| O12 | C11 | C31 | H12 | 144.4° | 96.9° |
| C14 | O15 | P16 | O27 | 25.6° | 55.0° |
| C14 | O15 | P16 | O17 | 96.6° | 175.0° |
| C14 | O15 | P16 | O28 | 146.4° | 65.0° |
| O15 | C14 | C13 | H1 | 76.2° | 55.6° |
| O15 | C14 | H8 | H9 | 122.8° | 120.0° |
| O25 | C24 | C19 | C20 | 179.9° | 180.0° |
| O25 | C24 | C19 | C18 | 1.3° | 0.1° |
| O25 | C24 | C23 | H10 | 0.3° | 0.1° |
| C24 | C19 | C20 | C21 | 0.7° | 0.3° |
| C24 | C19 | C20 | C18 | 178.7° | 179.9° |
| C24 | C19 | C18 | O17 | 7.5° | 180.0° |
| C24 | C19 | C18 | O26 | 173.4° | 0.0° |
| C24 | C19 | C20 | H2 | 179.3° | 180.0° |
| C19 | C24 | C23 | H10 | 179.7° | 180.0° |
| C19 | C24 | O25 | H15 | 0.6° | 90.1° |
| C21 | C20 | C19 | H2 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 179.4° | 179.8° |
| C20 | C21 | C22 | H4 | 180.0° | 179.9° |
| O27 | P16 | O15 | O17 | 122.2° | 120.0° |
| O27 | P16 | O15 | O28 | 120.9° | 120.0° |
| O27 | P16 | O17 | C18 | 159.0° | 55.0° |
| O27 | P16 | O17 | O28 | 120.1° | 120.0° |
| O27 | P16 | O28 | H16 | 0.0° | 180.0° |
| C20 | C19 | C18 | O17 | 171.2° | 0.1° |
| C20 | C19 | C18 | O26 | 7.9° | 180.0° |
| C19 | C20 | C21 | H3 | 179.6° | 179.8° |
| C19 | C18 | O17 | O26 | 179.0° | 180.0° |
| C19 | C18 | O17 | P16 | 167.0° | 180.0° |
| C18 | C19 | C20 | H2 | 0.6° | 0.1° |
| O15 | P16 | O17 | C18 | 36.2° | 175.0° |
| O15 | P16 | O17 | O28 | 117.1° | 120.0° |
| P16 | O15 | C14 | H8 | 118.2° | 60.0° |
| P16 | O15 | C14 | H9 | 3.7° | 60.0° |
| O15 | P16 | O28 | H16 | 120.2° | 60.0° |
| C18 | O17 | P16 | O28 | 80.9° | 65.0° |
| P16 | O17 | C18 | O26 | 12.1° | 0.0° |
| O17 | P16 | O28 | H16 | 118.5° | 60.1° |
| H1 | C13 | C14 | H8 | 164.8° | 175.6° |
| H1 | C13 | C14 | H9 | 42.9° | 64.3° |
| H1 | C13 | C29 | H11 | 8.5° | 35.5° |
| H2 | C20 | C21 | H3 | 0.4° | 0.1° |
| H3 | C21 | C22 | H4 | 0.0° | 0.0° |
| H4 | C22 | C23 | H10 | 0.0° | 0.0° |
| H7 | C11 | C31 | H12 | 101.5° | 143.6° |
| H11 | C29 | C31 | H12 | 27.2° | 33.7° |
| H11 | C29 | O30 | H17 | 60.3° | 62.8° |
| H12 | C31 | O32 | H18 | 62.7° | 62.0° |
