8B2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N03 | C02 | sing | 1.47Å | 1.49Å | |
| C01 | C02 | sing | 1.53Å | 1.50Å | |
| C02 | C04 | sing | 1.51Å | 1.57Å | |
| C04 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.37Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | N10 | sing | 1.40Å | 1.47Å | |
| N10 | C15 | sing | 1.47Å | 1.49Å | |
| N10 | C11 | sing | 1.47Å | 1.48Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C14 | O13 | sing | 1.43Å | 1.41Å | |
| C12 | O13 | sing | 1.43Å | 1.42Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| N03 | H7 | sing | 1.01Å | 1.00Å | |
| N03 | H8 | sing | 1.01Å | 1.00Å | |
| C05 | H10 | sing | 1.08Å | 1.08Å | |
| C06 | H11 | sing | 1.08Å | 1.08Å | |
| C08 | H12 | sing | 1.08Å | 1.08Å | |
| C09 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N03 | C02 | C01 | 109.6° | 109.5° |
| N03 | C02 | C04 | 112.6° | 109.5° |
| N03 | C02 | H6 | 108.7° | 109.5° |
| C02 | N03 | H7 | 109.5° | 111.0° |
| C02 | N03 | H8 | 109.5° | 111.0° |
| C01 | C02 | C04 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.4° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C01 | C02 | H6 | 108.7° | 109.5° |
| C02 | C04 | C09 | 119.3° | 119.9° |
| C02 | C04 | C05 | 118.8° | 119.9° |
| C04 | C02 | H6 | 107.8° | 109.4° |
| C09 | C04 | C05 | 121.5° | 120.1° |
| C04 | C09 | C08 | 119.8° | 120.1° |
| C04 | C09 | H13 | 120.1° | 120.0° |
| C04 | C05 | C06 | 118.7° | 120.1° |
| C04 | C05 | H10 | 120.6° | 120.0° |
| C09 | C08 | C07 | 118.0° | 119.9° |
| C09 | C08 | H12 | 121.0° | 120.0° |
| C08 | C09 | H13 | 120.1° | 120.0° |
| C05 | C06 | C07 | 119.7° | 120.0° |
| C06 | C05 | H10 | 120.7° | 120.0° |
| C05 | C06 | H11 | 120.1° | 120.0° |
| C08 | C07 | C06 | 121.7° | 119.8° |
| C08 | C07 | N10 | 119.6° | 120.1° |
| C07 | C08 | H12 | 121.0° | 120.0° |
| C06 | C07 | N10 | 118.7° | 120.1° |
| C07 | C06 | H11 | 120.1° | 120.0° |
| C07 | N10 | C15 | 116.8° | 111.0° |
| C07 | N10 | C11 | 117.5° | 111.0° |
| C15 | N10 | C11 | 110.8° | 110.8° |
| N10 | C15 | C14 | 111.3° | 109.3° |
| N10 | C15 | H1 | 109.0° | 109.5° |
| N10 | C15 | H2 | 109.0° | 109.4° |
| N10 | C11 | C12 | 114.5° | 109.3° |
| N10 | C11 | H14 | 108.2° | 109.5° |
| N10 | C11 | H15 | 108.2° | 109.5° |
| C15 | C14 | O13 | 112.4° | 109.3° |
| C14 | C15 | H1 | 109.0° | 109.5° |
| C14 | C15 | H2 | 109.0° | 109.6° |
| C15 | C14 | H18 | 108.8° | 109.5° |
| C15 | C14 | H19 | 108.7° | 109.5° |
| C11 | C12 | O13 | 116.2° | 109.2° |
| C12 | C11 | H14 | 108.2° | 109.5° |
| C12 | C11 | H15 | 108.2° | 109.5° |
| C11 | C12 | H16 | 107.7° | 109.5° |
| C11 | C12 | H17 | 107.8° | 109.5° |
| C14 | O13 | C12 | 119.5° | 113.7° |
| O13 | C14 | H18 | 108.7° | 109.5° |
| O13 | C14 | H19 | 108.8° | 109.4° |
| O13 | C12 | H16 | 107.8° | 109.5° |
| O13 | C12 | H17 | 107.8° | 109.5° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.4° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H7 | N03 | H8 | 109.5° | 111.0° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.6° |
| H18 | C14 | H19 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N03 | C02 | C01 | C04 | 123.9° | 120.0° |
| N03 | C02 | C01 | H6 | 118.7° | 120.0° |
| N03 | C02 | C04 | H6 | 119.9° | 120.0° |
| N03 | C02 | C04 | C09 | 84.5° | 140.0° |
| N03 | C02 | C04 | C05 | 88.3° | 40.2° |
| N03 | C02 | C01 | H3 | 180.0° | 60.0° |
| N03 | C02 | C01 | H4 | 60.0° | 60.0° |
| N03 | C02 | C01 | H5 | 60.0° | 180.0° |
| C02 | N03 | H7 | H8 | 120.0° | 124.0° |
| C01 | C02 | C04 | H6 | 118.0° | 120.0° |
| C01 | C02 | C04 | C09 | 153.3° | 100.0° |
| C01 | C02 | C04 | C05 | 33.9° | 79.8° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | C02 | N03 | H7 | 180.0° | 60.0° |
| C01 | C02 | N03 | H8 | 60.0° | 176.0° |
| C02 | C04 | C09 | C05 | 172.6° | 179.8° |
| C02 | C04 | C09 | C08 | 178.9° | 179.8° |
| C02 | C04 | C05 | C06 | 176.7° | 180.0° |
| C04 | C02 | C01 | H3 | 56.1° | 60.0° |
| C04 | C02 | C01 | H4 | 63.9° | 180.0° |
| C04 | C02 | C01 | H5 | 176.1° | 60.0° |
| C04 | C02 | N03 | H7 | 58.0° | 60.0° |
| C04 | C02 | N03 | H8 | 178.0° | 64.0° |
| C02 | C04 | C05 | H10 | 3.3° | 0.0° |
| C02 | C04 | C09 | H13 | 1.1° | 0.1° |
| C04 | C09 | C08 | H13 | 180.0° | 179.8° |
| C09 | C04 | C05 | C06 | 4.1° | 0.2° |
| C04 | C09 | C08 | C07 | 8.1° | 0.5° |
| C09 | C04 | C02 | H6 | 35.3° | 20.0° |
| C09 | C04 | C05 | H10 | 175.9° | 179.8° |
| C04 | C09 | C08 | H12 | 172.0° | 179.7° |
| C05 | C04 | C09 | C08 | 8.5° | 0.5° |
| C04 | C05 | C06 | H10 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.6° | 0.0° |
| C05 | C04 | C02 | H6 | 151.9° | 160.3° |
| C04 | C05 | C06 | H11 | 179.4° | 180.0° |
| C05 | C04 | C09 | H13 | 171.4° | 179.7° |
| C09 | C08 | C07 | H12 | 180.0° | 179.8° |
| C09 | C08 | C07 | C06 | 3.6° | 0.2° |
| C09 | C08 | C07 | N10 | 174.4° | 179.8° |
| C05 | C06 | C07 | C08 | 0.8° | 0.0° |
| C05 | C06 | C07 | H11 | 180.0° | 180.0° |
| C05 | C06 | C07 | N10 | 178.8° | 180.0° |
| C08 | C07 | C06 | N10 | 178.0° | 180.0° |
| C08 | C07 | N10 | C15 | 36.6° | 0.0° |
| C08 | C07 | N10 | C11 | 172.0° | 123.7° |
| C08 | C07 | C06 | H11 | 179.2° | 180.0° |
| C07 | C08 | C09 | H13 | 171.9° | 179.7° |
| C06 | C07 | N10 | C15 | 141.5° | 180.0° |
| C06 | C07 | N10 | C11 | 6.0° | 56.3° |
| C07 | C06 | C05 | H10 | 179.4° | 180.0° |
| C06 | C07 | C08 | H12 | 176.5° | 180.0° |
| C07 | N10 | C15 | C11 | 138.2° | 123.8° |
| C07 | N10 | C15 | C14 | 166.0° | 177.6° |
| C07 | N10 | C11 | C12 | 174.4° | 177.6° |
| C07 | N10 | C15 | H1 | 45.8° | 57.6° |
| C07 | N10 | C15 | H2 | 73.7° | 62.5° |
| N10 | C07 | C06 | H11 | 1.2° | 0.0° |
| N10 | C07 | C08 | H12 | 5.6° | 0.0° |
| C07 | N10 | C11 | H14 | 64.9° | 62.5° |
| C07 | N10 | C11 | H15 | 53.6° | 57.6° |
| N10 | C15 | C14 | H1 | 120.3° | 120.0° |
| N10 | C15 | C14 | H2 | 120.3° | 119.9° |
| C15 | N10 | C11 | C12 | 47.7° | 58.6° |
| N10 | C15 | C14 | O13 | 52.7° | 56.8° |
| N10 | C15 | H1 | H2 | 119.2° | 120.0° |
| C15 | N10 | C11 | H14 | 73.0° | 61.4° |
| C15 | N10 | C11 | H15 | 168.4° | 178.5° |
| N10 | C15 | C14 | H18 | 67.7° | 63.1° |
| N10 | C15 | C14 | H19 | 173.1° | 176.7° |
| C11 | N10 | C15 | C14 | 55.7° | 58.6° |
| N10 | C11 | C12 | H14 | 120.7° | 120.0° |
| N10 | C11 | C12 | H15 | 120.7° | 120.0° |
| N10 | C11 | C12 | O13 | 36.3° | 56.8° |
| C11 | N10 | C15 | H1 | 176.0° | 178.5° |
| C11 | N10 | C15 | H2 | 64.6° | 61.4° |
| N10 | C11 | H14 | H15 | 117.7° | 120.1° |
| N10 | C11 | C12 | H16 | 157.3° | 176.8° |
| N10 | C11 | C12 | H17 | 84.7° | 63.1° |
| C15 | C14 | O13 | H18 | 120.4° | 120.0° |
| C15 | C14 | O13 | H19 | 120.4° | 119.9° |
| C15 | C14 | O13 | C12 | 42.2° | 58.7° |
| C14 | C15 | H1 | H2 | 119.1° | 120.2° |
| C15 | C14 | H18 | H19 | 118.7° | 120.2° |
| C11 | C12 | O13 | C14 | 34.3° | 58.7° |
| C11 | C12 | O13 | H16 | 121.0° | 120.0° |
| C11 | C12 | O13 | H17 | 121.0° | 119.9° |
| C12 | C11 | H14 | H15 | 117.7° | 120.1° |
| C11 | C12 | H16 | H17 | 116.9° | 120.1° |
| O13 | C14 | C15 | H1 | 173.0° | 176.8° |
| O13 | C14 | C15 | H2 | 67.6° | 63.1° |
| C14 | O13 | C12 | H16 | 155.3° | 178.6° |
| C14 | O13 | C12 | H17 | 86.7° | 61.2° |
| O13 | C14 | H18 | H19 | 118.7° | 120.0° |
| O13 | C12 | C11 | H14 | 84.4° | 63.1° |
| O13 | C12 | C11 | H15 | 157.1° | 176.8° |
| O13 | C12 | H16 | H17 | 116.9° | 120.1° |
| C12 | O13 | C14 | H18 | 78.2° | 61.3° |
| C12 | O13 | C14 | H19 | 162.7° | 178.6° |
| H1 | C15 | C14 | H18 | 52.5° | 56.8° |
| H1 | C15 | C14 | H19 | 66.6° | 63.3° |
| H2 | C15 | C14 | H18 | 172.0° | 177.0° |
| H2 | C15 | C14 | H19 | 52.8° | 56.8° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H3 | C01 | C02 | H6 | 61.3° | 179.9° |
| H4 | C01 | C02 | H6 | 178.7° | 60.0° |
| H5 | C01 | C02 | H6 | 58.7° | 60.0° |
| H6 | C02 | N03 | H7 | 61.3° | 180.0° |
| H6 | C02 | N03 | H8 | 58.7° | 56.0° |
| H10 | C05 | C06 | H11 | 0.6° | 0.0° |
| H12 | C08 | C09 | H13 | 8.0° | 0.1° |
| H14 | C11 | C12 | H16 | 36.5° | 56.8° |
| H14 | C11 | C12 | H17 | 154.6° | 177.0° |
| H15 | C11 | C12 | H16 | 82.0° | 63.2° |
| H15 | C11 | C12 | H17 | 36.1° | 56.9° |
