ODM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAK | CAJ | sing | 1.43Å | 1.42Å | |
| CAC | CAB | doub | 1.31Å | 1.34Å | |
| CAC | CAF | sing | 1.51Å | 1.53Å | |
| CAB | CAA | sing | 1.51Å | 1.52Å | |
| CAB | CAE | sing | 1.51Å | 1.54Å | |
| CAF | CAG | sing | 1.53Å | 1.53Å | |
| CAI | CAJ | sing | 1.53Å | 1.53Å | |
| CAI | CAH | sing | 1.53Å | 1.53Å | |
| CAG | CAH | sing | 1.53Å | 1.53Å | |
| CAH | CAD | sing | 1.53Å | 1.53Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAE | H4 | sing | 1.09Å | 1.10Å | |
| CAE | H5 | sing | 1.09Å | 1.10Å | |
| CAE | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.08Å | 1.08Å | |
| CAF | H8 | sing | 1.09Å | 1.10Å | |
| CAF | H9 | sing | 1.09Å | 1.10Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| CAG | H11 | sing | 1.09Å | 1.10Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| CAD | H13 | sing | 1.09Å | 1.10Å | |
| CAD | H14 | sing | 1.09Å | 1.10Å | |
| CAD | H15 | sing | 1.09Å | 1.10Å | |
| CAI | H16 | sing | 1.09Å | 1.10Å | |
| CAI | H17 | sing | 1.09Å | 1.10Å | |
| CAJ | H18 | sing | 1.09Å | 1.10Å | |
| CAJ | H19 | sing | 1.09Å | 1.10Å | |
| OAK | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAK | CAJ | CAI | 109.4° | 109.5° |
| OAK | CAJ | H18 | 109.5° | 109.4° |
| OAK | CAJ | H19 | 109.5° | 109.4° |
| CAJ | OAK | H20 | 109.5° | 113.9° |
| CAB | CAC | CAF | 115.2° | 120.0° |
| CAC | CAB | CAA | 118.5° | 120.0° |
| CAC | CAB | CAE | 120.5° | 120.0° |
| CAB | CAC | H7 | 122.4° | 120.0° |
| CAC | CAF | CAG | 108.8° | 109.4° |
| CAF | CAC | H7 | 122.4° | 120.0° |
| CAC | CAF | H8 | 109.6° | 109.4° |
| CAC | CAF | H9 | 109.6° | 109.5° |
| CAA | CAB | CAE | 120.9° | 120.0° |
| CAB | CAA | H1 | 109.5° | 109.4° |
| CAB | CAA | H2 | 109.5° | 109.4° |
| CAB | CAA | H3 | 109.5° | 109.5° |
| CAB | CAE | H4 | 109.5° | 109.5° |
| CAB | CAE | H5 | 109.5° | 109.5° |
| CAB | CAE | H6 | 109.5° | 109.4° |
| CAF | CAG | CAH | 109.5° | 109.4° |
| CAG | CAF | H8 | 109.6° | 109.5° |
| CAG | CAF | H9 | 109.6° | 109.5° |
| CAF | CAG | H10 | 109.5° | 109.5° |
| CAF | CAG | H11 | 109.5° | 109.5° |
| CAJ | CAI | CAH | 109.4° | 109.5° |
| CAJ | CAI | H16 | 109.5° | 109.5° |
| CAJ | CAI | H17 | 109.5° | 109.5° |
| CAI | CAJ | H18 | 109.5° | 109.5° |
| CAI | CAJ | H19 | 109.5° | 109.5° |
| CAI | CAH | CAG | 109.9° | 109.5° |
| CAI | CAH | CAD | 108.6° | 109.4° |
| CAI | CAH | H12 | 109.4° | 109.5° |
| CAH | CAI | H16 | 109.5° | 109.5° |
| CAH | CAI | H17 | 109.5° | 109.5° |
| CAG | CAH | CAD | 110.3° | 109.5° |
| CAH | CAG | H10 | 109.5° | 109.5° |
| CAH | CAG | H11 | 109.5° | 109.5° |
| CAG | CAH | H12 | 109.3° | 109.5° |
| CAD | CAH | H12 | 109.4° | 109.5° |
| CAH | CAD | H13 | 109.5° | 109.5° |
| CAH | CAD | H14 | 109.5° | 109.5° |
| CAH | CAD | H15 | 109.4° | 109.4° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H4 | CAE | H5 | 109.4° | 109.5° |
| H4 | CAE | H6 | 109.5° | 109.5° |
| H5 | CAE | H6 | 109.5° | 109.5° |
| H8 | CAF | H9 | 109.5° | 109.5° |
| H10 | CAG | H11 | 109.5° | 109.5° |
| H13 | CAD | H14 | 109.5° | 109.5° |
| H13 | CAD | H15 | 109.4° | 109.5° |
| H14 | CAD | H15 | 109.5° | 109.5° |
| H16 | CAI | H17 | 109.5° | 109.5° |
| H18 | CAJ | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAK | CAJ | CAI | H18 | 120.0° | 119.9° |
| OAK | CAJ | CAI | H19 | 120.0° | 120.0° |
| OAK | CAJ | CAI | CAH | 174.2° | 180.0° |
| OAK | CAJ | CAI | H16 | 54.2° | 60.0° |
| OAK | CAJ | CAI | H17 | 65.8° | 60.0° |
| OAK | CAJ | H18 | H19 | 120.1° | 120.0° |
| CAB | CAC | CAF | H7 | 180.0° | 180.0° |
| CAC | CAB | CAA | CAE | 175.7° | 179.9° |
| CAB | CAC | CAF | CAG | 155.9° | 125.0° |
| CAC | CAB | CAA | H1 | 180.0° | 180.0° |
| CAC | CAB | CAA | H2 | 60.0° | 60.0° |
| CAC | CAB | CAA | H3 | 60.0° | 60.0° |
| CAC | CAB | CAE | H4 | 180.0° | 90.0° |
| CAC | CAB | CAE | H5 | 60.0° | 30.0° |
| CAC | CAB | CAE | H6 | 60.0° | 150.0° |
| CAB | CAC | CAF | H8 | 84.2° | 115.0° |
| CAB | CAC | CAF | H9 | 36.0° | 5.0° |
| CAF | CAC | CAB | CAA | 175.3° | 0.0° |
| CAF | CAC | CAB | CAE | 0.4° | 180.0° |
| CAC | CAF | CAG | H8 | 119.9° | 119.9° |
| CAC | CAF | CAG | H9 | 119.9° | 120.0° |
| CAC | CAF | CAG | CAH | 158.9° | 180.0° |
| CAC | CAF | H8 | H9 | 120.3° | 120.0° |
| CAC | CAF | CAG | H10 | 38.9° | 60.1° |
| CAC | CAF | CAG | H11 | 81.1° | 60.0° |
| CAB | CAA | H1 | H2 | 120.0° | 119.9° |
| CAB | CAA | H1 | H3 | 120.0° | 120.1° |
| CAB | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAB | CAE | H4 | 4.4° | 89.9° |
| CAA | CAB | CAE | H5 | 115.5° | 150.0° |
| CAA | CAB | CAE | H6 | 124.5° | 30.1° |
| CAA | CAB | CAC | H7 | 4.7° | 180.0° |
| CAE | CAB | CAA | H1 | 4.3° | 0.1° |
| CAE | CAB | CAA | H2 | 124.3° | 120.1° |
| CAE | CAB | CAA | H3 | 115.7° | 120.0° |
| CAB | CAE | H4 | H5 | 120.0° | 120.0° |
| CAB | CAE | H4 | H6 | 120.0° | 120.0° |
| CAB | CAE | H5 | H6 | 120.0° | 119.9° |
| CAE | CAB | CAC | H7 | 179.6° | 0.0° |
| CAF | CAG | CAH | CAI | 99.0° | 175.1° |
| CAF | CAG | CAH | H10 | 120.0° | 120.0° |
| CAF | CAG | CAH | H11 | 120.0° | 120.0° |
| CAF | CAG | CAH | CAD | 141.3° | 65.0° |
| CAG | CAF | CAC | H7 | 24.1° | 55.0° |
| CAG | CAF | H8 | H9 | 120.3° | 120.1° |
| CAF | CAG | H10 | H11 | 120.0° | 120.0° |
| CAF | CAG | CAH | H12 | 21.0° | 55.0° |
| CAJ | CAI | CAH | H16 | 120.0° | 120.0° |
| CAJ | CAI | CAH | H17 | 120.0° | 120.0° |
| CAJ | CAI | CAH | CAG | 170.0° | 175.0° |
| CAJ | CAI | CAH | CAD | 69.3° | 65.0° |
| CAJ | CAI | CAH | H12 | 50.0° | 55.0° |
| CAJ | CAI | H16 | H17 | 120.0° | 120.0° |
| CAI | CAJ | H18 | H19 | 120.0° | 120.1° |
| CAI | CAJ | OAK | H20 | 180.0° | 180.0° |
| CAI | CAH | CAG | CAD | 119.7° | 120.0° |
| CAI | CAH | CAG | H12 | 120.0° | 120.0° |
| CAI | CAH | CAD | H12 | 119.3° | 120.0° |
| CAI | CAH | CAG | H10 | 141.0° | 65.0° |
| CAI | CAH | CAG | H11 | 21.0° | 55.1° |
| CAI | CAH | CAD | H13 | 180.0° | 60.0° |
| CAI | CAH | CAD | H14 | 60.0° | 60.0° |
| CAI | CAH | CAD | H15 | 60.0° | 180.0° |
| CAH | CAI | H16 | H17 | 120.0° | 120.0° |
| CAH | CAI | CAJ | H18 | 65.8° | 60.0° |
| CAH | CAI | CAJ | H19 | 54.2° | 60.1° |
| CAG | CAH | CAD | H12 | 120.2° | 120.0° |
| CAH | CAG | CAF | H8 | 81.2° | 60.1° |
| CAH | CAG | CAF | H9 | 39.0° | 60.0° |
| CAH | CAG | H10 | H11 | 120.0° | 120.0° |
| CAG | CAH | CAD | H13 | 59.5° | 60.0° |
| CAG | CAH | CAD | H14 | 60.5° | 180.0° |
| CAG | CAH | CAD | H15 | 179.5° | 60.0° |
| CAG | CAH | CAI | H16 | 50.0° | 65.0° |
| CAG | CAH | CAI | H17 | 70.0° | 55.0° |
| CAD | CAH | CAG | H10 | 21.3° | 55.0° |
| CAD | CAH | CAG | H11 | 98.7° | 175.0° |
| CAH | CAD | H13 | H14 | 120.0° | 120.0° |
| CAH | CAD | H13 | H15 | 120.0° | 120.0° |
| CAH | CAD | H14 | H15 | 120.0° | 120.0° |
| CAD | CAH | CAI | H16 | 170.7° | 55.0° |
| CAD | CAH | CAI | H17 | 50.7° | 175.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.1° |
| H4 | CAE | H5 | H6 | 120.0° | 120.0° |
| H7 | CAC | CAF | H8 | 95.8° | 65.0° |
| H7 | CAC | CAF | H9 | 144.0° | 175.0° |
| H8 | CAF | CAG | H10 | 158.8° | 180.0° |
| H8 | CAF | CAG | H11 | 38.8° | 59.9° |
| H9 | CAF | CAG | H10 | 81.0° | 59.9° |
| H9 | CAF | CAG | H11 | 159.0° | 180.0° |
| H10 | CAG | CAH | H12 | 99.0° | 175.0° |
| H11 | CAG | CAH | H12 | 141.0° | 64.9° |
| H12 | CAH | CAD | H13 | 60.7° | 180.0° |
| H12 | CAH | CAD | H14 | 179.3° | 60.0° |
| H12 | CAH | CAD | H15 | 59.3° | 60.0° |
| H12 | CAH | CAI | H16 | 70.0° | 175.0° |
| H12 | CAH | CAI | H17 | 170.0° | 65.0° |
| H13 | CAD | H14 | H15 | 120.0° | 120.0° |
| H16 | CAI | CAJ | H18 | 174.2° | 179.9° |
| H16 | CAI | CAJ | H19 | 65.8° | 60.0° |
| H17 | CAI | CAJ | H18 | 54.2° | 59.9° |
| H17 | CAI | CAJ | H19 | 174.2° | 180.0° |
| H18 | CAJ | OAK | H20 | 60.0° | 60.0° |
| H19 | CAJ | OAK | H20 | 60.0° | 60.0° |
