5TO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAL | doub | 1.21Å | 1.27Å | |
| CAJ | CAD | sing | 1.55Å | 1.52Å | |
| CAJ | NAN | sing | 1.47Å | 1.51Å | |
| CAD | CAE | sing | 1.55Å | 1.54Å | |
| CAL | NAN | sing | 1.35Å | 1.31Å | |
| CAL | CAF | sing | 1.51Å | 1.52Å | |
| NAN | CAK | sing | 1.47Å | 1.51Å | |
| CAI | CAF | sing | 1.53Å | 1.53Å | |
| CAI | CAM | sing | 1.53Å | 1.52Å | |
| CAG | CAM | sing | 1.54Å | 1.50Å | |
| CAG | CAB | sing | 1.54Å | 1.54Å | |
| CAE | CAK | sing | 1.54Å | 1.54Å | |
| CAM | CAH | sing | 1.54Å | 1.50Å | |
| CAB | CAC | sing | 1.55Å | 1.54Å | |
| CAH | CAC | sing | 1.55Å | 1.53Å | |
| CAG | H1 | sing | 1.09Å | 1.10Å | |
| CAG | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAC | H5 | sing | 1.09Å | 1.10Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.09Å | 1.10Å | |
| CAH | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| CAI | H11 | sing | 1.09Å | 1.10Å | |
| CAF | H12 | sing | 1.09Å | 1.10Å | |
| CAF | H13 | sing | 1.09Å | 1.10Å | |
| CAJ | H14 | sing | 1.09Å | 1.10Å | |
| CAJ | H15 | sing | 1.09Å | 1.10Å | |
| CAD | H16 | sing | 1.09Å | 1.10Å | |
| CAD | H17 | sing | 1.09Å | 1.10Å | |
| CAE | H18 | sing | 1.09Å | 1.10Å | |
| CAE | H19 | sing | 1.09Å | 1.10Å | |
| CAK | H20 | sing | 1.09Å | 1.10Å | |
| CAK | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAL | NAN | 119.6° | 120.0° |
| OAA | CAL | CAF | 120.8° | 120.0° |
| CAD | CAJ | NAN | 109.8° | 104.8° |
| CAJ | CAD | CAE | 101.2° | 101.6° |
| CAD | CAJ | H14 | 109.4° | 110.4° |
| CAD | CAJ | H15 | 109.4° | 110.4° |
| CAJ | CAD | H16 | 111.5° | 111.0° |
| CAJ | CAD | H17 | 111.5° | 111.0° |
| CAJ | NAN | CAL | 126.0° | 125.6° |
| CAJ | NAN | CAK | 110.6° | 108.7° |
| NAN | CAJ | H14 | 109.4° | 110.4° |
| NAN | CAJ | H15 | 109.4° | 110.3° |
| CAD | CAE | CAK | 112.0° | 102.9° |
| CAE | CAD | H16 | 111.5° | 111.0° |
| CAE | CAD | H17 | 111.5° | 111.0° |
| CAD | CAE | H18 | 108.8° | 110.7° |
| CAD | CAE | H19 | 108.8° | 110.7° |
| NAN | CAL | CAF | 119.2° | 120.0° |
| CAL | NAN | CAK | 123.4° | 125.7° |
| CAL | CAF | CAI | 114.1° | 109.5° |
| CAL | CAF | H12 | 108.3° | 109.4° |
| CAL | CAF | H13 | 108.3° | 109.5° |
| NAN | CAK | CAE | 101.2° | 107.3° |
| NAN | CAK | H20 | 111.5° | 109.9° |
| NAN | CAK | H21 | 111.5° | 109.9° |
| CAF | CAI | CAM | 112.3° | 109.5° |
| CAF | CAI | H10 | 108.7° | 109.5° |
| CAF | CAI | H11 | 108.8° | 109.5° |
| CAI | CAF | H12 | 108.3° | 109.5° |
| CAI | CAF | H13 | 108.3° | 109.5° |
| CAI | CAM | CAG | 107.3° | 110.1° |
| CAI | CAM | CAH | 113.1° | 110.0° |
| CAI | CAM | H9 | 110.1° | 110.1° |
| CAM | CAI | H10 | 108.7° | 109.5° |
| CAM | CAI | H11 | 108.7° | 109.5° |
| CAM | CAG | CAB | 102.3° | 106.6° |
| CAG | CAM | CAH | 105.5° | 106.5° |
| CAM | CAG | H1 | 111.2° | 109.9° |
| CAM | CAG | H2 | 111.2° | 110.0° |
| CAG | CAM | H9 | 110.3° | 110.1° |
| CAG | CAB | CAC | 105.7° | 104.2° |
| CAB | CAG | H1 | 111.2° | 110.1° |
| CAB | CAG | H2 | 111.2° | 110.1° |
| CAG | CAB | H3 | 110.4° | 110.5° |
| CAG | CAB | H4 | 110.4° | 110.5° |
| CAK | CAE | H18 | 108.8° | 110.9° |
| CAK | CAE | H19 | 108.8° | 110.6° |
| CAE | CAK | H20 | 111.5° | 110.0° |
| CAE | CAK | H21 | 111.5° | 109.8° |
| CAM | CAH | CAC | 103.4° | 104.2° |
| CAM | CAH | H7 | 111.0° | 110.5° |
| CAM | CAH | H8 | 111.0° | 110.6° |
| CAH | CAM | H9 | 110.4° | 110.0° |
| CAB | CAC | CAH | 106.4° | 102.8° |
| CAC | CAB | H3 | 110.4° | 110.5° |
| CAC | CAB | H4 | 110.4° | 110.5° |
| CAB | CAC | H5 | 110.2° | 110.8° |
| CAB | CAC | H6 | 110.3° | 110.8° |
| CAH | CAC | H5 | 110.3° | 110.7° |
| CAH | CAC | H6 | 110.2° | 110.9° |
| CAC | CAH | H7 | 111.0° | 110.5° |
| CAC | CAH | H8 | 111.0° | 110.5° |
| H1 | CAG | H2 | 109.5° | 110.1° |
| H3 | CAB | H4 | 109.5° | 110.5° |
| H5 | CAC | H6 | 109.4° | 110.7° |
| H7 | CAH | H8 | 109.5° | 110.4° |
| H10 | CAI | H11 | 109.5° | 109.4° |
| H12 | CAF | H13 | 109.5° | 109.5° |
| H14 | CAJ | H15 | 109.5° | 110.4° |
| H16 | CAD | H17 | 109.5° | 110.9° |
| H18 | CAE | H19 | 109.4° | 110.8° |
| H20 | CAK | H21 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAL | NAN | CAJ | 1.2° | 179.7° |
| OAA | CAL | NAN | CAF | 173.3° | 180.0° |
| OAA | CAL | NAN | CAK | 178.4° | 0.0° |
| OAA | CAL | CAF | CAI | 3.0° | 0.0° |
| OAA | CAL | CAF | H12 | 117.7° | 120.0° |
| OAA | CAL | CAF | H13 | 123.7° | 120.0° |
| CAD | CAJ | NAN | H14 | 120.1° | 118.8° |
| CAD | CAJ | NAN | H15 | 120.0° | 118.8° |
| CAJ | CAD | CAE | H16 | 118.7° | 118.0° |
| CAJ | CAD | CAE | H17 | 118.7° | 118.1° |
| CAD | CAJ | NAN | CAL | 179.6° | 155.8° |
| CAD | CAJ | NAN | CAK | 0.7° | 23.9° |
| CAJ | CAD | CAE | CAK | 22.1° | 35.7° |
| CAD | CAJ | H14 | H15 | 119.8° | 122.3° |
| CAJ | CAD | H16 | H17 | 123.8° | 123.9° |
| CAJ | CAD | CAE | H18 | 98.3° | 82.9° |
| CAJ | CAD | CAE | H19 | 142.5° | 153.9° |
| NAN | CAJ | CAD | CAE | 12.5° | 37.0° |
| CAJ | NAN | CAL | CAK | 179.6° | 179.7° |
| CAJ | NAN | CAL | CAF | 174.5° | 0.3° |
| CAJ | NAN | CAK | CAE | 13.7° | 0.7° |
| NAN | CAJ | H14 | H15 | 119.8° | 122.3° |
| NAN | CAJ | CAD | H16 | 131.2° | 155.0° |
| NAN | CAJ | CAD | H17 | 106.1° | 81.1° |
| CAJ | NAN | CAK | H20 | 105.0° | 120.3° |
| CAJ | NAN | CAK | H21 | 132.3° | 118.5° |
| CAD | CAE | CAK | NAN | 22.5° | 22.5° |
| CAD | CAE | CAK | H18 | 120.4° | 118.4° |
| CAD | CAE | CAK | H19 | 120.4° | 118.3° |
| CAE | CAD | CAJ | H14 | 132.6° | 81.9° |
| CAE | CAD | CAJ | H15 | 107.5° | 155.8° |
| CAE | CAD | H16 | H17 | 123.8° | 123.9° |
| CAD | CAE | H18 | H19 | 118.8° | 123.2° |
| CAD | CAE | CAK | H20 | 96.1° | 97.0° |
| CAD | CAE | CAK | H21 | 141.2° | 141.8° |
| NAN | CAL | CAF | CAI | 170.2° | 180.0° |
| CAL | NAN | CAK | CAE | 166.7° | 179.0° |
| NAN | CAL | CAF | H12 | 69.1° | 60.0° |
| NAN | CAL | CAF | H13 | 49.5° | 60.0° |
| CAL | NAN | CAJ | H14 | 60.3° | 85.4° |
| CAL | NAN | CAJ | H15 | 59.6° | 37.0° |
| CAL | NAN | CAK | H20 | 74.7° | 59.5° |
| CAL | NAN | CAK | H21 | 48.0° | 61.7° |
| CAF | CAL | NAN | CAK | 5.1° | 180.0° |
| CAL | CAF | CAI | H12 | 120.7° | 120.0° |
| CAL | CAF | CAI | H13 | 120.7° | 120.0° |
| CAL | CAF | CAI | CAM | 165.9° | 180.0° |
| CAL | CAF | CAI | H10 | 73.7° | 60.0° |
| CAL | CAF | CAI | H11 | 45.5° | 60.0° |
| CAL | CAF | H12 | H13 | 117.8° | 120.0° |
| NAN | CAK | CAE | H20 | 118.6° | 119.5° |
| NAN | CAK | CAE | H21 | 118.7° | 119.3° |
| CAK | NAN | CAJ | H14 | 119.3° | 94.9° |
| CAK | NAN | CAJ | H15 | 120.8° | 142.7° |
| NAN | CAK | CAE | H18 | 97.9° | 95.9° |
| NAN | CAK | CAE | H19 | 142.9° | 140.8° |
| NAN | CAK | H20 | H21 | 123.8° | 121.1° |
| CAF | CAI | CAM | H10 | 120.4° | 120.0° |
| CAF | CAI | CAM | H11 | 120.4° | 120.1° |
| CAF | CAI | CAM | CAG | 169.4° | 175.0° |
| CAF | CAI | CAM | CAH | 53.5° | 67.9° |
| CAF | CAI | CAM | H9 | 70.5° | 53.5° |
| CAF | CAI | H10 | H11 | 118.7° | 120.0° |
| CAI | CAF | H12 | H13 | 117.9° | 120.0° |
| CAI | CAM | CAG | CAH | 120.8° | 119.2° |
| CAI | CAM | CAG | H9 | 120.0° | 121.5° |
| CAI | CAM | CAG | CAB | 161.8° | 119.3° |
| CAI | CAM | CAH | H9 | 123.8° | 121.5° |
| CAI | CAM | CAH | CAC | 154.8° | 142.9° |
| CAI | CAM | CAG | H1 | 43.0° | 121.5° |
| CAI | CAM | CAG | H2 | 79.4° | 0.1° |
| CAI | CAM | CAH | H7 | 86.1° | 24.2° |
| CAI | CAM | CAH | H8 | 35.8° | 98.3° |
| CAM | CAI | H10 | H11 | 118.7° | 120.0° |
| CAM | CAI | CAF | H12 | 45.2° | 60.1° |
| CAM | CAI | CAF | H13 | 73.4° | 60.0° |
| CAM | CAG | CAB | H1 | 118.8° | 119.2° |
| CAM | CAG | CAB | H2 | 118.8° | 119.3° |
| CAG | CAM | CAH | H9 | 119.2° | 119.3° |
| CAM | CAG | CAB | CAC | 27.7° | 23.6° |
| CAG | CAM | CAH | CAC | 37.9° | 23.6° |
| CAM | CAG | H1 | H2 | 123.3° | 121.3° |
| CAM | CAG | CAB | H3 | 147.1° | 95.1° |
| CAM | CAG | CAB | H4 | 91.7° | 142.3° |
| CAG | CAM | CAH | H7 | 156.9° | 95.1° |
| CAG | CAM | CAH | H8 | 81.2° | 142.4° |
| CAG | CAM | CAI | H10 | 49.0° | 55.0° |
| CAG | CAM | CAI | H11 | 70.1° | 64.9° |
| CAB | CAG | CAM | CAH | 41.0° | 0.0° |
| CAG | CAB | CAC | H3 | 119.4° | 118.7° |
| CAG | CAB | CAC | H4 | 119.4° | 118.7° |
| CAG | CAB | CAC | CAH | 5.2° | 37.9° |
| CAB | CAG | H1 | H2 | 123.3° | 121.6° |
| CAG | CAB | H3 | H4 | 121.7° | 122.6° |
| CAG | CAB | CAC | H5 | 114.4° | 156.3° |
| CAG | CAB | CAC | H6 | 124.7° | 80.5° |
| CAB | CAG | CAM | H9 | 78.2° | 119.2° |
| CAK | CAE | CAD | H16 | 140.8° | 153.7° |
| CAK | CAE | CAD | H17 | 96.5° | 82.4° |
| CAK | CAE | H18 | H19 | 118.8° | 123.2° |
| CAE | CAK | H20 | H21 | 123.9° | 121.0° |
| CAM | CAH | CAC | CAB | 19.4° | 37.9° |
| CAM | CAH | CAC | H7 | 119.0° | 118.7° |
| CAM | CAH | CAC | H8 | 119.0° | 118.8° |
| CAH | CAM | CAG | H1 | 77.9° | 119.3° |
| CAH | CAM | CAG | H2 | 159.8° | 119.3° |
| CAM | CAH | CAC | H5 | 139.0° | 156.3° |
| CAM | CAH | CAC | H6 | 100.1° | 80.5° |
| CAM | CAH | H7 | H8 | 122.8° | 122.6° |
| CAH | CAM | CAI | H10 | 66.9° | 172.1° |
| CAH | CAM | CAI | H11 | 173.9° | 52.2° |
| CAB | CAC | CAH | H5 | 119.5° | 118.3° |
| CAB | CAC | CAH | H6 | 119.5° | 118.4° |
| CAC | CAB | CAG | H1 | 91.1° | 95.6° |
| CAC | CAB | CAG | H2 | 146.5° | 142.9° |
| CAC | CAB | H3 | H4 | 121.7° | 122.6° |
| CAB | CAC | H5 | H6 | 121.4° | 123.3° |
| CAB | CAC | CAH | H7 | 138.5° | 80.7° |
| CAB | CAC | CAH | H8 | 99.6° | 156.8° |
| CAH | CAC | CAB | H3 | 124.6° | 80.8° |
| CAH | CAC | CAB | H4 | 114.2° | 156.6° |
| CAH | CAC | H5 | H6 | 121.4° | 123.4° |
| CAC | CAH | H7 | H8 | 122.9° | 122.6° |
| CAC | CAH | CAM | H9 | 81.3° | 95.7° |
| H1 | CAG | CAB | H3 | 28.3° | 145.7° |
| H1 | CAG | CAB | H4 | 149.5° | 23.1° |
| H1 | CAG | CAM | H9 | 162.9° | 0.0° |
| H2 | CAG | CAB | H3 | 94.0° | 24.2° |
| H2 | CAG | CAB | H4 | 27.1° | 98.5° |
| H2 | CAG | CAM | H9 | 40.6° | 121.4° |
| H3 | CAB | CAC | H5 | 5.1° | 37.6° |
| H3 | CAB | CAC | H6 | 115.9° | 160.8° |
| H4 | CAB | CAC | H5 | 126.3° | 85.1° |
| H4 | CAB | CAC | H6 | 5.3° | 38.1° |
| H5 | CAC | CAH | H7 | 102.0° | 37.6° |
| H5 | CAC | CAH | H8 | 20.0° | 84.9° |
| H6 | CAC | CAH | H7 | 18.9° | 160.9° |
| H6 | CAC | CAH | H8 | 140.9° | 38.3° |
| H7 | CAH | CAM | H9 | 37.7° | 145.6° |
| H8 | CAH | CAM | H9 | 159.6° | 23.1° |
| H9 | CAM | CAI | H10 | 169.1° | 66.4° |
| H9 | CAM | CAI | H11 | 50.0° | 173.6° |
| H10 | CAI | CAF | H12 | 165.7° | 179.9° |
| H10 | CAI | CAF | H13 | 47.0° | 60.0° |
| H11 | CAI | CAF | H12 | 75.2° | 60.0° |
| H11 | CAI | CAF | H13 | 166.2° | 180.0° |
| H14 | CAJ | CAD | H16 | 108.8° | 36.2° |
| H14 | CAJ | CAD | H17 | 13.9° | 160.1° |
| H15 | CAJ | CAD | H16 | 11.2° | 86.2° |
| H15 | CAJ | CAD | H17 | 133.8° | 37.7° |
| H16 | CAD | CAE | H18 | 20.4° | 35.2° |
| H16 | CAD | CAE | H19 | 98.8° | 88.0° |
| H17 | CAD | CAE | H18 | 143.1° | 159.1° |
| H17 | CAD | CAE | H19 | 23.9° | 35.8° |
| H18 | CAE | CAK | H20 | 143.5° | 144.6° |
| H18 | CAE | CAK | H21 | 20.8° | 23.4° |
| H19 | CAE | CAK | H20 | 24.3° | 21.3° |
| H19 | CAE | CAK | H21 | 98.4° | 99.9° |
