SB7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.38Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C7 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.56Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C11 | sing | 1.53Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C11 | N14 | sing | 1.47Å | 1.47Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| N14 | O22 | sing | 1.46Å | 1.39Å | |
| N14 | C24 | sing | 1.47Å | 1.36Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| C24 | O25 | sing | 1.43Å | 1.42Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.1° | 120.0° |
| C2 | C1 | H1 | 120.4° | 120.0° |
| C1 | C2 | C3 | 121.9° | 120.0° |
| C1 | C2 | H2 | 118.6° | 120.0° |
| C6 | C1 | H1 | 119.5° | 120.0° |
| C1 | C6 | C5 | 118.4° | 120.0° |
| C1 | C6 | H6 | 115.7° | 120.0° |
| C3 | C2 | H2 | 119.4° | 120.0° |
| C2 | C3 | C4 | 120.1° | 120.0° |
| C2 | C3 | C7 | 121.1° | 120.0° |
| C4 | C3 | C7 | 118.8° | 120.0° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C3 | C4 | H4 | 120.0° | 120.0° |
| C3 | C7 | C8 | 112.7° | 109.4° |
| C3 | C7 | H71 | 111.0° | 109.5° |
| C3 | C7 | H72 | 111.0° | 109.5° |
| C5 | C4 | H4 | 118.8° | 120.0° |
| C4 | C5 | C6 | 118.2° | 120.0° |
| C4 | C5 | H5 | 115.7° | 120.0° |
| C6 | C5 | H5 | 126.0° | 120.0° |
| C5 | C6 | H6 | 125.8° | 120.0° |
| C8 | C7 | H71 | 111.0° | 109.5° |
| C8 | C7 | H72 | 111.1° | 109.5° |
| C7 | C8 | C11 | 111.9° | 109.5° |
| C7 | C8 | H81 | 111.3° | 109.5° |
| C7 | C8 | H82 | 111.3° | 109.5° |
| H71 | C7 | H72 | 99.3° | 109.5° |
| C11 | C8 | H81 | 111.3° | 109.4° |
| C11 | C8 | H82 | 111.3° | 109.5° |
| C8 | C11 | N14 | 109.4° | 109.5° |
| C8 | C11 | H111 | 112.3° | 109.4° |
| C8 | C11 | H112 | 112.3° | 109.5° |
| H81 | C8 | H82 | 99.1° | 109.5° |
| N14 | C11 | H111 | 112.3° | 109.5° |
| N14 | C11 | H112 | 112.3° | 109.5° |
| C11 | N14 | O22 | 120.4° | 106.7° |
| C11 | N14 | C24 | 118.3° | 106.7° |
| H111 | C11 | H112 | 98.1° | 109.5° |
| O22 | N14 | C24 | 121.3° | 106.7° |
| N14 | O22 | H22 | 120.3° | 106.8° |
| N14 | C24 | O25 | 124.9° | 109.5° |
| N14 | C24 | H241 | 106.7° | 109.4° |
| N14 | C24 | H242 | 106.8° | 109.5° |
| O25 | C24 | H241 | 106.8° | 109.5° |
| O25 | C24 | H242 | 106.8° | 109.5° |
| C24 | O25 | H25 | 124.9° | 106.8° |
| H241 | C24 | H242 | 102.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 179.6° |
| C1 | C2 | C3 | C4 | 0.0° | 0.5° |
| C1 | C2 | C3 | C7 | 179.9° | 179.8° |
| C2 | C1 | C6 | C5 | 0.0° | 0.2° |
| C2 | C1 | C6 | H6 | 180.0° | 179.8° |
| C6 | C1 | C2 | C3 | 0.0° | 0.5° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| H1 | C1 | C2 | C3 | 180.0° | 179.8° |
| H1 | C1 | C2 | H2 | 0.0° | 0.2° |
| H1 | C1 | C6 | C5 | 180.0° | 180.0° |
| H1 | C1 | C6 | H6 | 0.0° | 0.0° |
| C2 | C3 | C4 | C7 | 179.8° | 179.7° |
| C2 | C3 | C4 | C5 | 0.0° | 0.3° |
| C2 | C3 | C4 | H4 | 179.9° | 179.8° |
| C2 | C3 | C7 | C8 | 58.4° | 90.3° |
| C2 | C3 | C7 | H71 | 66.8° | 149.7° |
| C2 | C3 | C7 | H72 | 176.2° | 29.7° |
| H2 | C2 | C3 | C4 | 179.9° | 179.9° |
| H2 | C2 | C3 | C7 | 0.1° | 0.2° |
| C3 | C4 | C5 | H4 | 179.9° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C3 | C4 | C5 | H5 | 179.9° | 179.9° |
| C4 | C3 | C7 | C8 | 121.7° | 90.0° |
| C4 | C3 | C7 | H71 | 113.0° | 30.0° |
| C4 | C3 | C7 | H72 | 3.6° | 150.0° |
| C7 | C3 | C4 | C5 | 179.9° | 180.0° |
| C7 | C3 | C4 | H4 | 0.1° | 0.1° |
| C3 | C7 | C8 | H71 | 125.3° | 120.0° |
| C3 | C7 | C8 | H72 | 125.3° | 120.0° |
| C3 | C7 | H71 | H72 | 116.9° | 120.0° |
| C3 | C7 | C8 | C11 | 178.9° | 180.0° |
| C3 | C7 | C8 | H81 | 53.7° | 60.1° |
| C3 | C7 | C8 | H82 | 55.9° | 60.0° |
| C4 | C5 | C6 | H5 | 179.9° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| H4 | C4 | C5 | C6 | 180.0° | 180.0° |
| H4 | C4 | C5 | H5 | 0.0° | 0.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| C8 | C7 | H71 | H72 | 116.9° | 120.0° |
| C7 | C8 | C11 | H81 | 125.3° | 120.0° |
| C7 | C8 | C11 | H82 | 125.2° | 120.0° |
| C7 | C8 | H81 | H82 | 117.2° | 120.1° |
| C7 | C8 | C11 | N14 | 101.2° | 180.0° |
| C7 | C8 | C11 | H111 | 133.5° | 60.0° |
| C7 | C8 | C11 | H112 | 24.1° | 60.0° |
| H71 | C7 | C8 | C11 | 55.8° | 60.0° |
| H71 | C7 | C8 | H81 | 179.0° | 179.9° |
| H71 | C7 | C8 | H82 | 69.4° | 60.0° |
| H72 | C7 | C8 | C11 | 53.6° | 60.0° |
| H72 | C7 | C8 | H81 | 71.6° | 59.9° |
| H72 | C7 | C8 | H82 | 178.9° | 180.0° |
| C11 | C8 | H81 | H82 | 117.2° | 120.0° |
| C8 | C11 | N14 | H111 | 125.3° | 120.0° |
| C8 | C11 | N14 | H112 | 125.3° | 120.0° |
| C8 | C11 | H111 | H112 | 118.1° | 119.9° |
| C8 | C11 | N14 | O22 | 88.7° | 71.2° |
| C8 | C11 | N14 | C24 | 90.9° | 175.0° |
| H81 | C8 | C11 | N14 | 24.1° | 60.0° |
| H81 | C8 | C11 | H111 | 101.2° | 180.0° |
| H81 | C8 | C11 | H112 | 149.4° | 60.0° |
| H82 | C8 | C11 | N14 | 133.6° | 60.0° |
| H82 | C8 | C11 | H111 | 8.3° | 60.1° |
| H82 | C8 | C11 | H112 | 101.1° | 180.0° |
| N14 | C11 | H111 | H112 | 118.2° | 120.0° |
| C11 | N14 | O22 | C24 | 179.6° | 113.8° |
| C11 | N14 | O22 | H22 | 179.9° | 66.2° |
| C11 | N14 | C24 | O25 | 179.6° | 70.0° |
| C11 | N14 | C24 | H241 | 55.2° | 170.0° |
| C11 | N14 | C24 | H242 | 54.3° | 50.0° |
| H111 | C11 | N14 | O22 | 36.6° | 48.8° |
| H111 | C11 | N14 | C24 | 143.8° | 65.0° |
| H112 | C11 | N14 | O22 | 146.0° | 168.8° |
| H112 | C11 | N14 | C24 | 34.4° | 55.0° |
| O22 | N14 | C24 | O25 | 0.0° | 176.2° |
| O22 | N14 | C24 | H241 | 125.2° | 56.2° |
| O22 | N14 | C24 | H242 | 125.3° | 63.8° |
| C24 | N14 | O22 | H22 | 0.5° | 179.9° |
| N14 | C24 | O25 | H241 | 125.2° | 120.0° |
| N14 | C24 | O25 | H242 | 125.3° | 120.0° |
| N14 | C24 | H241 | H242 | 112.2° | 120.0° |
| N14 | C24 | O25 | H25 | 179.9° | 180.0° |
| O25 | C24 | H241 | H242 | 112.2° | 120.0° |
| H241 | C24 | O25 | H25 | 54.7° | 60.0° |
| H242 | C24 | O25 | H25 | 54.8° | 60.0° |
