SB9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | doub | 1.32Å | 1.36Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C7 | sing | 1.51Å | 1.50Å | |
| N2 | C3 | sing | 1.32Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C11 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.39Å | 1.56Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C7 | H73 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C15 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C15 | N18 | sing | 1.46Å | 1.46Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| N18 | O21 | sing | 1.42Å | 1.39Å | |
| N18 | C23 | sing | 1.35Å | 1.36Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| C23 | O24 | doub | 1.21Å | 1.23Å | |
| C23 | H23 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C6 | 122.5° | 120.8° |
| N2 | C1 | C7 | 116.6° | 119.6° |
| C1 | N2 | C3 | 121.2° | 121.7° |
| C6 | C1 | C7 | 120.9° | 119.6° |
| C1 | C6 | C5 | 116.6° | 119.1° |
| C1 | C6 | H6 | 116.7° | 120.4° |
| C1 | C7 | H71 | 116.7° | 109.5° |
| C1 | C7 | H72 | 109.6° | 109.5° |
| C1 | C7 | H73 | 109.6° | 109.5° |
| N2 | C3 | C4 | 122.7° | 120.8° |
| N2 | C3 | C11 | 115.9° | 119.6° |
| C4 | C3 | C11 | 121.4° | 119.6° |
| C3 | C4 | C5 | 119.2° | 119.1° |
| C3 | C4 | H4 | 120.7° | 120.4° |
| C3 | C11 | C12 | 113.4° | 109.5° |
| C3 | C11 | H111 | 110.8° | 109.4° |
| C3 | C11 | H112 | 110.8° | 109.5° |
| C5 | C4 | H4 | 120.0° | 120.5° |
| C4 | C5 | C6 | 117.8° | 118.4° |
| C4 | C5 | H5 | 116.1° | 120.7° |
| C6 | C5 | H5 | 126.2° | 120.8° |
| C5 | C6 | H6 | 126.7° | 120.4° |
| H71 | C7 | H72 | 109.6° | 109.5° |
| H71 | C7 | H73 | 109.7° | 109.5° |
| H72 | C7 | H73 | 100.5° | 109.4° |
| C12 | C11 | H111 | 110.7° | 109.5° |
| C12 | C11 | H112 | 110.8° | 109.5° |
| C11 | C12 | C15 | 113.4° | 109.5° |
| C11 | C12 | H121 | 110.8° | 109.5° |
| C11 | C12 | H122 | 110.7° | 109.5° |
| H111 | C11 | H112 | 99.5° | 109.4° |
| C15 | C12 | H121 | 110.7° | 109.5° |
| C15 | C12 | H122 | 110.8° | 109.4° |
| C12 | C15 | N18 | 110.2° | 109.4° |
| C12 | C15 | H151 | 112.0° | 109.5° |
| C12 | C15 | H152 | 112.0° | 109.4° |
| H121 | C12 | H122 | 99.6° | 109.5° |
| N18 | C15 | H151 | 111.9° | 109.4° |
| N18 | C15 | H152 | 111.9° | 109.5° |
| C15 | N18 | O21 | 119.3° | 120.0° |
| C15 | N18 | C23 | 119.8° | 120.0° |
| H151 | C15 | H152 | 98.4° | 109.5° |
| O21 | N18 | C23 | 120.9° | 120.0° |
| N18 | O21 | H21 | 119.3° | 106.8° |
| N18 | C23 | O24 | 124.7° | 120.0° |
| N18 | C23 | H23 | 123.1° | 120.0° |
| O24 | C23 | H23 | 112.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C6 | C7 | 179.8° | 179.8° |
| C1 | N2 | C3 | C4 | 0.1° | 0.5° |
| C1 | N2 | C3 | C11 | 180.0° | 179.7° |
| N2 | C1 | C6 | C5 | 0.1° | 0.2° |
| N2 | C1 | C6 | H6 | 179.9° | 179.8° |
| N2 | C1 | C7 | H71 | 180.0° | 90.3° |
| N2 | C1 | C7 | H72 | 54.8° | 29.8° |
| N2 | C1 | C7 | H73 | 54.7° | 149.7° |
| C6 | C1 | N2 | C3 | 0.2° | 0.5° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C1 | C7 | H71 | 0.3° | 90.0° |
| C6 | C1 | C7 | H72 | 125.5° | 150.0° |
| C6 | C1 | C7 | H73 | 125.1° | 30.1° |
| C7 | C1 | N2 | C3 | 179.9° | 179.7° |
| C7 | C1 | C6 | C5 | 179.9° | 180.0° |
| C7 | C1 | C6 | H6 | 0.1° | 0.1° |
| C1 | C7 | H71 | H72 | 125.2° | 120.0° |
| C1 | C7 | H71 | H73 | 125.3° | 120.0° |
| C1 | C7 | H72 | H73 | 115.4° | 119.9° |
| N2 | C3 | C4 | C11 | 179.9° | 179.7° |
| N2 | C3 | C4 | C5 | 0.1° | 0.2° |
| N2 | C3 | C4 | H4 | 179.9° | 179.8° |
| N2 | C3 | C11 | C12 | 91.6° | 54.8° |
| N2 | C3 | C11 | H111 | 33.7° | 65.3° |
| N2 | C3 | C11 | H112 | 143.1° | 174.8° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C3 | C11 | C12 | 88.3° | 125.0° |
| C4 | C3 | C11 | H111 | 146.5° | 115.0° |
| C4 | C3 | C11 | H112 | 37.0° | 5.0° |
| C11 | C3 | C4 | C5 | 179.9° | 180.0° |
| C11 | C3 | C4 | H4 | 0.1° | 0.0° |
| C3 | C11 | C12 | H111 | 125.3° | 120.0° |
| C3 | C11 | C12 | H112 | 125.3° | 120.0° |
| C3 | C11 | H111 | H112 | 116.6° | 120.0° |
| C3 | C11 | C12 | C15 | 167.6° | 180.0° |
| C3 | C11 | C12 | H121 | 42.4° | 60.0° |
| C3 | C11 | C12 | H122 | 67.2° | 60.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.9° | 179.9° |
| H4 | C4 | C5 | C6 | 180.0° | 180.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.1° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| H71 | C7 | H72 | H73 | 115.4° | 120.0° |
| C12 | C11 | H111 | H112 | 116.6° | 120.0° |
| C11 | C12 | C15 | H121 | 125.2° | 120.0° |
| C11 | C12 | C15 | H122 | 125.2° | 119.9° |
| C11 | C12 | H121 | H122 | 116.6° | 120.0° |
| C11 | C12 | C15 | N18 | 99.4° | 180.0° |
| C11 | C12 | C15 | H151 | 135.3° | 60.0° |
| C11 | C12 | C15 | H152 | 25.9° | 60.0° |
| H111 | C11 | C12 | C15 | 67.1° | 60.0° |
| H111 | C11 | C12 | H121 | 167.6° | 180.0° |
| H111 | C11 | C12 | H122 | 58.1° | 59.9° |
| H112 | C11 | C12 | C15 | 42.3° | 60.0° |
| H112 | C11 | C12 | H121 | 83.0° | 60.0° |
| H112 | C11 | C12 | H122 | 167.5° | 180.0° |
| C15 | C12 | H121 | H122 | 116.7° | 120.0° |
| C12 | C15 | N18 | H151 | 125.3° | 120.0° |
| C12 | C15 | N18 | H152 | 125.3° | 120.0° |
| C12 | C15 | H151 | H152 | 117.9° | 120.0° |
| C12 | C15 | N18 | O21 | 87.9° | 105.0° |
| C12 | C15 | N18 | C23 | 92.3° | 75.0° |
| H121 | C12 | C15 | N18 | 25.9° | 60.0° |
| H121 | C12 | C15 | H151 | 99.4° | 179.9° |
| H121 | C12 | C15 | H152 | 151.1° | 60.0° |
| H122 | C12 | C15 | N18 | 135.4° | 60.0° |
| H122 | C12 | C15 | H151 | 10.1° | 59.9° |
| H122 | C12 | C15 | H152 | 99.3° | 180.0° |
| N18 | C15 | H151 | H152 | 117.8° | 120.1° |
| C15 | N18 | O21 | C23 | 179.9° | 179.9° |
| C15 | N18 | O21 | H21 | 180.0° | 180.0° |
| C15 | N18 | C23 | O24 | 180.0° | 180.0° |
| C15 | N18 | C23 | H23 | 0.0° | 0.1° |
| H151 | C15 | N18 | O21 | 37.4° | 135.0° |
| H151 | C15 | N18 | C23 | 142.4° | 44.9° |
| H152 | C15 | N18 | O21 | 146.9° | 15.0° |
| H152 | C15 | N18 | C23 | 33.0° | 165.0° |
| O21 | N18 | C23 | O24 | 0.1° | 0.1° |
| O21 | N18 | C23 | H23 | 179.8° | 180.0° |
| C23 | N18 | O21 | H21 | 0.1° | 0.0° |
| N18 | C23 | O24 | H23 | 180.0° | 179.9° |
