HOM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | CA2 | sing | 1.41Å | 1.54Å | Aromatic |
| CA | CA9 | doub | 1.36Å | 1.36Å | Aromatic |
| CA | CB | sing | 1.51Å | 1.55Å | |
| CA2 | OA2 | doub | 1.22Å | 1.22Å | |
| CA2 | OA3 | sing | 1.34Å | 1.46Å | Aromatic |
| CA3 | CA4 | doub | 1.39Å | 1.43Å | Aromatic |
| CA3 | CA8 | sing | 1.41Å | 1.43Å | Aromatic |
| CA3 | OA3 | sing | 1.35Å | 1.47Å | Aromatic |
| CA4 | CA5 | sing | 1.38Å | 1.42Å | Aromatic |
| CA4 | HA41 | sing | 1.08Å | 1.10Å | |
| CA5 | CA6 | doub | 1.39Å | 1.41Å | Aromatic |
| CA5 | OA4 | sing | 1.36Å | 1.44Å | |
| CA6 | CA7 | sing | 1.36Å | 1.43Å | Aromatic |
| CA6 | HA61 | sing | 1.08Å | 1.10Å | |
| CA7 | CA8 | doub | 1.40Å | 1.43Å | Aromatic |
| CA7 | HA71 | sing | 1.08Å | 1.10Å | |
| CA8 | CA9 | sing | 1.46Å | 1.55Å | Aromatic |
| CA9 | CB8 | sing | 1.51Å | 1.56Å | |
| CB | CB7 | sing | 1.53Å | 1.54Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB7 | OA1 | sing | 1.43Å | 1.24Å | |
| CB7 | HB71 | sing | 1.09Å | 1.12Å | |
| CB7 | HB72 | sing | 1.09Å | 1.11Å | |
| CB8 | HB81 | sing | 1.09Å | 1.11Å | |
| CB8 | HB82 | sing | 1.09Å | 1.11Å | |
| CB8 | HB83 | sing | 1.09Å | 1.11Å | |
| OA4 | HO41 | sing | 0.97Å | 0.95Å | |
| OA1 | HO11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA2 | CA | CA9 | 119.8° | 119.8° |
| CA2 | CA | CB | 118.8° | 120.1° |
| CA | CA2 | OA2 | 119.3° | 119.1° |
| CA | CA2 | OA3 | 122.2° | 121.7° |
| CA9 | CA | CB | 121.4° | 120.2° |
| CA | CA9 | CA8 | 119.3° | 118.2° |
| CA | CA9 | CB8 | 121.1° | 120.9° |
| CA | CB | CB7 | 114.1° | 109.5° |
| CA | CB | HB1 | 110.5° | 109.5° |
| CA | CB | HB2 | 110.5° | 109.5° |
| OA2 | CA2 | OA3 | 118.4° | 119.2° |
| CA2 | OA3 | CA3 | 116.4° | 121.5° |
| CA4 | CA3 | CA8 | 119.5° | 119.4° |
| CA4 | CA3 | OA3 | 118.3° | 120.8° |
| CA3 | CA4 | CA5 | 120.7° | 119.8° |
| CA3 | CA4 | HA41 | 119.8° | 120.0° |
| CA8 | CA3 | OA3 | 122.2° | 119.8° |
| CA3 | CA8 | CA7 | 119.4° | 120.0° |
| CA3 | CA8 | CA9 | 120.1° | 119.0° |
| CA5 | CA4 | HA41 | 119.5° | 120.1° |
| CA4 | CA5 | CA6 | 120.1° | 120.5° |
| CA4 | CA5 | OA4 | 120.2° | 119.8° |
| CA6 | CA5 | OA4 | 119.7° | 119.7° |
| CA5 | CA6 | CA7 | 119.9° | 120.4° |
| CA5 | CA6 | HA61 | 119.5° | 119.8° |
| CA5 | OA4 | HO41 | 120.2° | 106.8° |
| CA7 | CA6 | HA61 | 120.6° | 119.8° |
| CA6 | CA7 | CA8 | 120.4° | 119.8° |
| CA6 | CA7 | HA71 | 119.7° | 120.1° |
| CA8 | CA7 | HA71 | 120.0° | 120.1° |
| CA7 | CA8 | CA9 | 120.5° | 121.0° |
| CA8 | CA9 | CB8 | 119.6° | 120.9° |
| CA9 | CB8 | HB81 | 121.1° | 109.4° |
| CA9 | CB8 | HB82 | 108.0° | 109.5° |
| CA9 | CB8 | HB83 | 108.0° | 109.5° |
| CB7 | CB | HB1 | 110.5° | 109.5° |
| CB7 | CB | HB2 | 110.5° | 109.5° |
| CB | CB7 | OA1 | 121.6° | 109.5° |
| CB | CB7 | HB71 | 107.9° | 109.5° |
| CB | CB7 | HB72 | 107.9° | 109.5° |
| HB1 | CB | HB2 | 99.8° | 109.4° |
| OA1 | CB7 | HB71 | 107.8° | 109.5° |
| OA1 | CB7 | HB72 | 107.8° | 109.5° |
| CB7 | OA1 | HO11 | 121.6° | 106.9° |
| HB71 | CB7 | HB72 | 102.0° | 109.4° |
| HB81 | CB8 | HB82 | 108.0° | 109.5° |
| HB81 | CB8 | HB83 | 108.1° | 109.5° |
| HB82 | CB8 | HB83 | 101.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA2 | CA | CA9 | CB | 179.6° | 180.0° |
| CA | CA2 | OA2 | OA3 | 179.8° | 179.9° |
| CA | CA2 | OA3 | CA3 | 0.3° | 0.0° |
| CA2 | CA | CA9 | CA8 | 0.4° | 0.3° |
| CA2 | CA | CA9 | CB8 | 179.8° | 180.0° |
| CA2 | CA | CB | CB7 | 80.6° | 90.0° |
| CA2 | CA | CB | HB1 | 44.6° | 30.1° |
| CA2 | CA | CB | HB2 | 154.2° | 150.0° |
| CA9 | CA | CA2 | OA2 | 179.5° | 179.9° |
| CA9 | CA | CA2 | OA3 | 0.7° | 0.0° |
| CA | CA9 | CA8 | CA3 | 0.2° | 0.5° |
| CA | CA9 | CA8 | CA7 | 179.9° | 179.7° |
| CA | CA9 | CA8 | CB8 | 179.8° | 179.7° |
| CA9 | CA | CB | CB7 | 99.7° | 90.0° |
| CA9 | CA | CB | HB1 | 135.0° | 150.0° |
| CA9 | CA | CB | HB2 | 25.5° | 30.1° |
| CA | CA9 | CB8 | HB81 | 180.0° | 180.0° |
| CA | CA9 | CB8 | HB82 | 54.8° | 60.0° |
| CA | CA9 | CB8 | HB83 | 54.7° | 60.0° |
| CB | CA | CA2 | OA2 | 0.9° | 0.0° |
| CB | CA | CA2 | OA3 | 178.9° | 179.9° |
| CB | CA | CA9 | CA8 | 179.2° | 179.7° |
| CB | CA | CA9 | CB8 | 0.6° | 0.0° |
| CA | CB | CB7 | HB1 | 125.2° | 120.0° |
| CA | CB | CB7 | HB2 | 125.2° | 120.0° |
| CA | CB | HB1 | HB2 | 116.4° | 119.9° |
| CA | CB | CB7 | OA1 | 8.4° | 180.0° |
| CA | CB | CB7 | HB71 | 116.8° | 59.9° |
| CA | CB | CB7 | HB72 | 133.7° | 60.0° |
| OA2 | CA2 | OA3 | CA3 | 179.9° | 180.0° |
| CA2 | OA3 | CA3 | CA4 | 179.7° | 179.9° |
| CA2 | OA3 | CA3 | CA8 | 0.3° | 0.3° |
| CA4 | CA3 | CA8 | OA3 | 180.0° | 179.8° |
| CA3 | CA4 | CA5 | HA41 | 180.0° | 179.9° |
| CA3 | CA4 | CA5 | CA6 | 0.1° | 0.0° |
| CA3 | CA4 | CA5 | OA4 | 180.0° | 179.9° |
| CA4 | CA3 | CA8 | CA7 | 0.3° | 0.5° |
| CA4 | CA3 | CA8 | CA9 | 179.5° | 179.7° |
| CA8 | CA3 | CA4 | CA5 | 0.2° | 0.2° |
| CA8 | CA3 | CA4 | HA41 | 179.9° | 179.7° |
| CA3 | CA8 | CA7 | CA6 | 0.1° | 0.5° |
| CA3 | CA8 | CA7 | CA9 | 179.7° | 179.1° |
| CA3 | CA8 | CA7 | HA71 | 179.9° | 179.7° |
| CA3 | CA8 | CA9 | CB8 | 179.6° | 179.7° |
| OA3 | CA3 | CA4 | CA5 | 179.8° | 180.0° |
| OA3 | CA3 | CA4 | HA41 | 0.2° | 0.1° |
| OA3 | CA3 | CA8 | CA7 | 179.7° | 179.7° |
| OA3 | CA3 | CA8 | CA9 | 0.6° | 0.5° |
| CA4 | CA5 | CA6 | OA4 | 179.9° | 180.0° |
| CA4 | CA5 | CA6 | CA7 | 0.3° | 0.0° |
| CA4 | CA5 | CA6 | HA61 | 179.6° | 180.0° |
| CA4 | CA5 | OA4 | HO41 | 179.9° | 90.0° |
| HA41 | CA4 | CA5 | CA6 | 179.8° | 180.0° |
| HA41 | CA4 | CA5 | OA4 | 0.1° | 0.0° |
| CA5 | CA6 | CA7 | HA61 | 179.9° | 179.9° |
| CA5 | CA6 | CA7 | CA8 | 0.2° | 0.2° |
| CA5 | CA6 | CA7 | HA71 | 179.8° | 179.9° |
| CA6 | CA5 | OA4 | HO41 | 0.0° | 90.0° |
| OA4 | CA5 | CA6 | CA7 | 179.8° | 179.9° |
| OA4 | CA5 | CA6 | HA61 | 0.3° | 0.0° |
| CA6 | CA7 | CA8 | HA71 | 180.0° | 179.8° |
| CA6 | CA7 | CA8 | CA9 | 179.6° | 179.6° |
| HA61 | CA6 | CA7 | CA8 | 179.7° | 179.7° |
| HA61 | CA6 | CA7 | HA71 | 0.2° | 0.1° |
| CA7 | CA8 | CA9 | CB8 | 0.1° | 0.6° |
| HA71 | CA7 | CA8 | CA9 | 0.4° | 0.5° |
| CA8 | CA9 | CB8 | HB81 | 0.2° | 0.3° |
| CA8 | CA9 | CB8 | HB82 | 125.4° | 119.7° |
| CA8 | CA9 | CB8 | HB83 | 125.1° | 120.3° |
| CA9 | CB8 | HB81 | HB82 | 125.2° | 120.0° |
| CA9 | CB8 | HB81 | HB83 | 125.3° | 120.0° |
| CA9 | CB8 | HB82 | HB83 | 113.6° | 120.0° |
| CB7 | CB | HB1 | HB2 | 116.4° | 120.0° |
| CB | CB7 | OA1 | HB71 | 125.3° | 120.0° |
| CB | CB7 | OA1 | HB72 | 125.3° | 120.1° |
| CB | CB7 | HB71 | HB72 | 113.5° | 120.0° |
| CB | CB7 | OA1 | HO11 | 180.0° | 180.0° |
| HB1 | CB | CB7 | OA1 | 133.6° | 60.0° |
| HB1 | CB | CB7 | HB71 | 8.4° | 180.0° |
| HB1 | CB | CB7 | HB72 | 101.1° | 60.1° |
| HB2 | CB | CB7 | OA1 | 116.8° | 59.9° |
| HB2 | CB | CB7 | HB71 | 118.0° | 60.1° |
| HB2 | CB | CB7 | HB72 | 8.4° | 180.0° |
| OA1 | CB7 | HB71 | HB72 | 113.4° | 120.0° |
| HB71 | CB7 | OA1 | HO11 | 54.7° | 60.0° |
| HB72 | CB7 | OA1 | HO11 | 54.7° | 59.9° |
| HB81 | CB8 | HB82 | HB83 | 113.7° | 120.0° |
