58X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAG | sing | 1.51Å | 1.50Å | |
| CAF | CAB | sing | 1.51Å | 1.50Å | |
| OAL | CAJ | doub | 1.22Å | 1.31Å | |
| CAG | CAE | sing | 1.51Å | 1.51Å | |
| CAG | CAH | doub | 1.33Å | 1.33Å | |
| CAB | CAC | doub | 1.31Å | 1.33Å | |
| CAB | CAA | sing | 1.51Å | 1.50Å | |
| CAE | CAD | sing | 1.53Å | 1.53Å | |
| CAD | CAC | sing | 1.51Å | 1.50Å | |
| CAJ | CAH | sing | 1.47Å | 1.47Å | |
| CAJ | OAK | sing | 1.35Å | 1.21Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAD | H5 | sing | 1.09Å | 1.10Å | |
| CAD | H6 | sing | 1.09Å | 1.10Å | |
| CAE | H7 | sing | 1.09Å | 1.10Å | |
| CAE | H8 | sing | 1.09Å | 1.10Å | |
| CAF | H9 | sing | 1.09Å | 1.10Å | |
| CAF | H10 | sing | 1.09Å | 1.10Å | |
| CAF | H11 | sing | 1.09Å | 1.10Å | |
| CAH | H12 | sing | 1.08Å | 1.08Å | |
| CAI | H13 | sing | 1.09Å | 1.10Å | |
| CAI | H14 | sing | 1.09Å | 1.10Å | |
| CAI | H15 | sing | 1.09Å | 1.10Å | |
| OAK | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAG | CAE | 115.4° | 120.0° |
| CAI | CAG | CAH | 125.1° | 120.0° |
| CAG | CAI | H13 | 109.5° | 109.4° |
| CAG | CAI | H14 | 109.4° | 109.5° |
| CAG | CAI | H15 | 109.4° | 109.4° |
| CAF | CAB | CAC | 124.2° | 120.0° |
| CAF | CAB | CAA | 114.2° | 120.0° |
| CAB | CAF | H9 | 109.5° | 109.5° |
| CAB | CAF | H10 | 109.5° | 109.5° |
| CAB | CAF | H11 | 109.5° | 109.5° |
| OAL | CAJ | CAH | 117.7° | 120.0° |
| OAL | CAJ | OAK | 122.7° | 120.0° |
| CAE | CAG | CAH | 119.5° | 120.0° |
| CAG | CAE | CAD | 105.4° | 109.5° |
| CAG | CAE | H7 | 110.5° | 109.5° |
| CAG | CAE | H8 | 110.5° | 109.5° |
| CAG | CAH | CAJ | 130.0° | 120.0° |
| CAG | CAH | H12 | 115.0° | 120.1° |
| CAC | CAB | CAA | 121.6° | 120.0° |
| CAB | CAC | CAD | 130.4° | 120.0° |
| CAB | CAC | H4 | 114.8° | 120.0° |
| CAB | CAA | H1 | 109.5° | 109.5° |
| CAB | CAA | H2 | 109.5° | 109.4° |
| CAB | CAA | H3 | 109.5° | 109.5° |
| CAE | CAD | CAC | 113.1° | 109.5° |
| CAE | CAD | H5 | 108.6° | 109.4° |
| CAE | CAD | H6 | 108.5° | 109.5° |
| CAD | CAE | H7 | 110.5° | 109.5° |
| CAD | CAE | H8 | 110.5° | 109.5° |
| CAD | CAC | H4 | 114.8° | 120.0° |
| CAC | CAD | H5 | 108.5° | 109.5° |
| CAC | CAD | H6 | 108.6° | 109.5° |
| CAH | CAJ | OAK | 119.6° | 120.1° |
| CAJ | CAH | H12 | 115.0° | 119.9° |
| CAJ | OAK | H16 | 109.5° | 117.1° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H5 | CAD | H6 | 109.5° | 109.5° |
| H7 | CAE | H8 | 109.5° | 109.5° |
| H9 | CAF | H10 | 109.5° | 109.5° |
| H9 | CAF | H11 | 109.5° | 109.5° |
| H10 | CAF | H11 | 109.4° | 109.4° |
| H13 | CAI | H14 | 109.4° | 109.5° |
| H13 | CAI | H15 | 109.5° | 109.5° |
| H14 | CAI | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAG | CAE | CAH | 179.4° | 180.0° |
| CAI | CAG | CAE | CAD | 87.5° | 85.0° |
| CAI | CAG | CAH | CAJ | 1.0° | 9.8° |
| CAI | CAG | CAE | H7 | 153.1° | 155.0° |
| CAI | CAG | CAE | H8 | 31.8° | 34.9° |
| CAI | CAG | CAH | H12 | 179.0° | 170.3° |
| CAG | CAI | H13 | H14 | 120.0° | 120.0° |
| CAG | CAI | H13 | H15 | 120.0° | 120.0° |
| CAG | CAI | H14 | H15 | 120.0° | 120.0° |
| CAF | CAB | CAC | CAA | 178.4° | 179.9° |
| CAF | CAB | CAC | CAD | 2.5° | 6.7° |
| CAF | CAB | CAA | H1 | 180.0° | 89.9° |
| CAF | CAB | CAA | H2 | 60.0° | 30.0° |
| CAF | CAB | CAA | H3 | 60.0° | 150.0° |
| CAF | CAB | CAC | H4 | 177.5° | 173.3° |
| CAB | CAF | H9 | H10 | 120.0° | 120.0° |
| CAB | CAF | H9 | H11 | 120.0° | 120.0° |
| CAB | CAF | H10 | H11 | 120.0° | 120.0° |
| OAL | CAJ | CAH | CAG | 2.2° | 5.8° |
| OAL | CAJ | CAH | OAK | 179.7° | 179.9° |
| OAL | CAJ | CAH | H12 | 177.8° | 174.1° |
| OAL | CAJ | OAK | H16 | 0.0° | 0.1° |
| CAG | CAE | CAD | H7 | 119.4° | 120.0° |
| CAG | CAE | CAD | H8 | 119.3° | 120.0° |
| CAG | CAE | CAD | CAC | 176.9° | 180.0° |
| CAE | CAG | CAH | CAJ | 178.3° | 170.3° |
| CAG | CAE | CAD | H5 | 62.6° | 60.0° |
| CAG | CAE | CAD | H6 | 56.4° | 60.0° |
| CAG | CAE | H7 | H8 | 121.9° | 120.0° |
| CAE | CAG | CAH | H12 | 1.7° | 9.7° |
| CAE | CAG | CAI | H13 | 180.0° | 95.5° |
| CAE | CAG | CAI | H14 | 60.0° | 144.5° |
| CAE | CAG | CAI | H15 | 60.0° | 24.4° |
| CAH | CAG | CAE | CAD | 91.8° | 95.0° |
| CAG | CAH | CAJ | H12 | 180.0° | 180.0° |
| CAG | CAH | CAJ | OAK | 177.5° | 174.1° |
| CAH | CAG | CAE | H7 | 27.5° | 25.0° |
| CAH | CAG | CAE | H8 | 148.8° | 145.0° |
| CAH | CAG | CAI | H13 | 0.7° | 84.5° |
| CAH | CAG | CAI | H14 | 119.3° | 35.5° |
| CAH | CAG | CAI | H15 | 120.7° | 155.5° |
| CAB | CAC | CAD | CAE | 115.7° | 125.1° |
| CAB | CAC | CAD | H4 | 180.0° | 180.0° |
| CAC | CAB | CAA | H1 | 1.4° | 90.0° |
| CAC | CAB | CAA | H2 | 118.6° | 150.0° |
| CAC | CAB | CAA | H3 | 121.4° | 30.1° |
| CAB | CAC | CAD | H5 | 4.8° | 114.9° |
| CAB | CAC | CAD | H6 | 123.8° | 5.1° |
| CAC | CAB | CAF | H9 | 180.0° | 6.7° |
| CAC | CAB | CAF | H10 | 60.0° | 126.8° |
| CAC | CAB | CAF | H11 | 60.0° | 113.3° |
| CAA | CAB | CAC | CAD | 179.1° | 173.3° |
| CAB | CAA | H1 | H2 | 120.0° | 120.0° |
| CAB | CAA | H1 | H3 | 120.0° | 120.1° |
| CAB | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAB | CAC | H4 | 0.9° | 6.7° |
| CAA | CAB | CAF | H9 | 1.5° | 173.3° |
| CAA | CAB | CAF | H10 | 118.5° | 53.3° |
| CAA | CAB | CAF | H11 | 121.5° | 66.6° |
| CAE | CAD | CAC | H5 | 120.5° | 119.9° |
| CAE | CAD | CAC | H6 | 120.5° | 120.0° |
| CAE | CAD | CAC | H4 | 64.3° | 54.9° |
| CAE | CAD | H5 | H6 | 118.3° | 120.0° |
| CAD | CAE | H7 | H8 | 121.9° | 120.0° |
| CAC | CAD | H5 | H6 | 118.4° | 120.1° |
| CAC | CAD | CAE | H7 | 57.5° | 60.0° |
| CAC | CAD | CAE | H8 | 63.8° | 60.0° |
| CAH | CAJ | OAK | H16 | 179.7° | 180.0° |
| OAK | CAJ | CAH | H12 | 2.5° | 5.9° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAC | CAD | H5 | 175.2° | 65.1° |
| H4 | CAC | CAD | H6 | 56.2° | 174.9° |
| H5 | CAD | CAE | H7 | 178.0° | 180.0° |
| H5 | CAD | CAE | H8 | 56.7° | 60.0° |
| H6 | CAD | CAE | H7 | 63.0° | 60.0° |
| H6 | CAD | CAE | H8 | 175.7° | 180.0° |
| H9 | CAF | H10 | H11 | 120.0° | 120.0° |
| H13 | CAI | H14 | H15 | 120.0° | 120.0° |
