9G0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CB2 | sing | 1.39Å | 1.49Å | |
| CB3 | CB2 | doub | 1.39Å | 1.39Å | Aromatic |
| CB3 | CB4 | sing | 1.38Å | 1.39Å | Aromatic |
| CB2 | CB1 | sing | 1.40Å | 1.49Å | Aromatic |
| OA2 | CA2 | sing | 1.36Å | 1.35Å | |
| CB4 | CB5 | doub | 1.38Å | 1.39Å | Aromatic |
| OA3 | CA3 | sing | 1.36Å | 1.36Å | |
| CA2 | CA3 | doub | 1.39Å | 1.45Å | Aromatic |
| CA2 | CA1 | sing | 1.40Å | 1.50Å | Aromatic |
| CB1 | CA1 | sing | 1.48Å | 1.48Å | |
| CB1 | CB6 | doub | 1.39Å | 1.38Å | Aromatic |
| CA3 | CA4 | sing | 1.39Å | 1.41Å | Aromatic |
| CA1 | CA6 | doub | 1.39Å | 1.40Å | Aromatic |
| CA4 | CA5 | doub | 1.38Å | 1.38Å | Aromatic |
| CB5 | CB6 | sing | 1.38Å | 1.39Å | Aromatic |
| CA6 | CA5 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| CB3 | H3 | sing | 1.08Å | 1.08Å | |
| CB4 | H4 | sing | 1.08Å | 1.08Å | |
| CB5 | H5 | sing | 1.08Å | 1.08Å | |
| CB6 | H6 | sing | 1.08Å | 1.08Å | |
| CA6 | H7 | sing | 1.08Å | 1.08Å | |
| CA5 | H8 | sing | 1.08Å | 1.08Å | |
| CA4 | H9 | sing | 1.08Å | 1.08Å | |
| OA3 | H10 | sing | 0.97Å | 0.95Å | |
| OA2 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | CB2 | CB3 | 118.8° | 120.1° |
| N1 | CB2 | CB1 | 123.1° | 120.2° |
| CB2 | N1 | H1 | 109.5° | 120.0° |
| CB2 | N1 | H2 | 109.4° | 120.0° |
| CB2 | CB3 | CB4 | 120.7° | 120.1° |
| CB3 | CB2 | CB1 | 118.1° | 119.7° |
| CB2 | CB3 | H3 | 119.6° | 120.0° |
| CB3 | CB4 | CB5 | 121.1° | 120.3° |
| CB4 | CB3 | H3 | 119.6° | 120.0° |
| CB3 | CB4 | H4 | 119.4° | 119.8° |
| CB2 | CB1 | CA1 | 120.8° | 120.2° |
| CB2 | CB1 | CB6 | 118.9° | 119.7° |
| OA2 | CA2 | CA3 | 114.7° | 120.2° |
| OA2 | CA2 | CA1 | 126.7° | 120.1° |
| CA2 | OA2 | H11 | 109.5° | 114.0° |
| CB4 | CB5 | CB6 | 120.4° | 120.3° |
| CB5 | CB4 | H4 | 119.5° | 119.9° |
| CB4 | CB5 | H5 | 119.8° | 119.8° |
| OA3 | CA3 | CA2 | 110.3° | 120.0° |
| OA3 | CA3 | CA4 | 129.9° | 120.0° |
| CA3 | OA3 | H10 | 109.5° | 114.0° |
| CA3 | CA2 | CA1 | 118.7° | 119.7° |
| CA2 | CA3 | CA4 | 119.7° | 120.0° |
| CA2 | CA1 | CB1 | 116.3° | 120.1° |
| CA2 | CA1 | CA6 | 117.6° | 119.7° |
| CA1 | CB1 | CB6 | 120.2° | 120.1° |
| CB1 | CA1 | CA6 | 126.1° | 120.2° |
| CB1 | CB6 | CB5 | 120.7° | 119.9° |
| CB1 | CB6 | H6 | 119.6° | 120.0° |
| CA3 | CA4 | CA5 | 120.2° | 120.3° |
| CA3 | CA4 | H9 | 119.9° | 119.9° |
| CA1 | CA6 | CA5 | 121.5° | 120.0° |
| CA1 | CA6 | H7 | 119.3° | 120.0° |
| CA4 | CA5 | CA6 | 122.3° | 120.3° |
| CA4 | CA5 | H8 | 118.9° | 119.9° |
| CA5 | CA4 | H9 | 119.9° | 119.9° |
| CB6 | CB5 | H5 | 119.8° | 119.9° |
| CB5 | CB6 | H6 | 119.7° | 120.1° |
| CA5 | CA6 | H7 | 119.3° | 120.0° |
| CA6 | CA5 | H8 | 118.9° | 119.9° |
| H1 | N1 | H2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | CB2 | CB3 | CB1 | 178.1° | 179.7° |
| N1 | CB2 | CB3 | CB4 | 179.6° | 180.0° |
| N1 | CB2 | CB1 | CA1 | 3.6° | 0.0° |
| N1 | CB2 | CB1 | CB6 | 179.1° | 179.8° |
| CB2 | N1 | H1 | H2 | 120.0° | 179.8° |
| N1 | CB2 | CB3 | H3 | 0.4° | 0.1° |
| CB2 | CB3 | CB4 | H3 | 180.0° | 179.9° |
| CB2 | CB3 | CB4 | CB5 | 0.3° | 0.1° |
| CB3 | CB2 | CB1 | CA1 | 178.4° | 179.7° |
| CB3 | CB2 | CB1 | CB6 | 2.9° | 0.5° |
| CB3 | CB2 | N1 | H1 | 180.0° | 179.7° |
| CB3 | CB2 | N1 | H2 | 60.0° | 0.1° |
| CB2 | CB3 | CB4 | H4 | 179.7° | 179.9° |
| CB4 | CB3 | CB2 | CB1 | 1.6° | 0.3° |
| CB3 | CB4 | CB5 | H4 | 180.0° | 180.0° |
| CB3 | CB4 | CB5 | CB6 | 0.9° | 0.0° |
| CB3 | CB4 | CB5 | H5 | 179.1° | 180.0° |
| CB2 | CB1 | CA1 | CA2 | 62.6° | 64.7° |
| CB2 | CB1 | CA1 | CB6 | 175.4° | 179.8° |
| CB2 | CB1 | CA1 | CA6 | 119.8° | 115.0° |
| CB2 | CB1 | CB6 | CB5 | 2.4° | 0.5° |
| CB1 | CB2 | N1 | H1 | 2.0° | 0.1° |
| CB1 | CB2 | N1 | H2 | 122.1° | 179.8° |
| CB1 | CB2 | CB3 | H3 | 178.4° | 179.8° |
| CB2 | CB1 | CB6 | H6 | 177.6° | 179.8° |
| OA2 | CA2 | CA3 | OA3 | 1.0° | 0.2° |
| OA2 | CA2 | CA3 | CA1 | 179.7° | 179.6° |
| OA2 | CA2 | CA1 | CB1 | 0.3° | 0.2° |
| OA2 | CA2 | CA3 | CA4 | 179.4° | 180.0° |
| OA2 | CA2 | CA1 | CA6 | 178.2° | 180.0° |
| CB4 | CB5 | CB6 | CB1 | 0.5° | 0.2° |
| CB4 | CB5 | CB6 | H5 | 180.0° | 180.0° |
| CB5 | CB4 | CB3 | H3 | 179.7° | 180.0° |
| CB4 | CB5 | CB6 | H6 | 179.4° | 180.0° |
| OA3 | CA3 | CA2 | CA4 | 179.6° | 179.8° |
| OA3 | CA3 | CA2 | CA1 | 179.2° | 179.8° |
| OA3 | CA3 | CA4 | CA5 | 179.6° | 180.0° |
| OA3 | CA3 | CA4 | H9 | 0.4° | 0.0° |
| CA3 | CA2 | CA1 | CB1 | 179.3° | 179.8° |
| CA3 | CA2 | CA1 | CA6 | 1.4° | 0.5° |
| CA2 | CA3 | CA4 | CA5 | 0.9° | 0.2° |
| CA2 | CA3 | CA4 | H9 | 179.1° | 179.8° |
| CA2 | CA3 | OA3 | H10 | 180.0° | 89.8° |
| CA3 | CA2 | OA2 | H11 | 180.0° | 90.0° |
| CA2 | CA1 | CB1 | CA6 | 177.7° | 179.7° |
| CA2 | CA1 | CB1 | CB6 | 112.8° | 115.1° |
| CA1 | CA2 | CA3 | CA4 | 0.4° | 0.5° |
| CA2 | CA1 | CA6 | CA5 | 1.3° | 0.2° |
| CA2 | CA1 | CA6 | H7 | 178.7° | 179.8° |
| CA1 | CA2 | OA2 | H11 | 0.3° | 90.4° |
| CA1 | CB1 | CB6 | CB5 | 177.9° | 179.7° |
| CB1 | CA1 | CA6 | CA5 | 179.0° | 179.9° |
| CA1 | CB1 | CB6 | H6 | 2.1° | 0.0° |
| CB1 | CA1 | CA6 | H7 | 1.0° | 0.0° |
| CB6 | CB1 | CA1 | CA6 | 64.8° | 65.2° |
| CB1 | CB6 | CB5 | H6 | 180.0° | 179.7° |
| CB1 | CB6 | CB5 | H5 | 179.5° | 179.8° |
| CA3 | CA4 | CA5 | H9 | 180.0° | 180.0° |
| CA3 | CA4 | CA5 | CA6 | 1.1° | 0.1° |
| CA3 | CA4 | CA5 | H8 | 178.9° | 180.0° |
| CA4 | CA3 | OA3 | H10 | 0.5° | 90.0° |
| CA1 | CA6 | CA5 | CA4 | 0.1° | 0.0° |
| CA1 | CA6 | CA5 | H7 | 180.0° | 180.0° |
| CA1 | CA6 | CA5 | H8 | 179.9° | 180.0° |
| CA4 | CA5 | CA6 | H8 | 180.0° | 179.9° |
| CA4 | CA5 | CA6 | H7 | 179.9° | 180.0° |
| CB6 | CB5 | CB4 | H4 | 179.1° | 180.0° |
| CA6 | CA5 | CA4 | H9 | 178.9° | 180.0° |
| H3 | CB3 | CB4 | H4 | 0.3° | 0.0° |
| H4 | CB4 | CB5 | H5 | 0.9° | 0.0° |
| H5 | CB5 | CB6 | H6 | 0.6° | 0.0° |
| H7 | CA6 | CA5 | H8 | 0.1° | 0.1° |
| H8 | CA5 | CA4 | H9 | 1.1° | 0.0° |
