M5N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAF | sing | 1.53Å | 1.53Å | |
| CAD | CAE | sing | 1.53Å | 1.52Å | |
| CAF | CAK | sing | 1.53Å | 1.54Å | |
| CAE | CAG | sing | 1.53Å | 1.51Å | |
| CAA | CAM | sing | 1.53Å | 1.50Å | |
| CAM | CAB | sing | 1.53Å | 1.48Å | |
| CAM | CAL | sing | 1.51Å | 1.55Å | |
| CAK | CAL | sing | 1.50Å | 1.46Å | |
| CAK | CAN | sing | 1.51Å | 1.39Å | |
| CAG | CAN | sing | 1.51Å | 1.62Å | |
| CAL | NAH | doub | 1.29Å | 1.30Å | |
| CAN | NAI | doub | 1.29Å | 1.38Å | |
| NAH | CAJ | sing | 1.34Å | 1.33Å | |
| NAI | CAJ | sing | 1.34Å | 1.34Å | |
| CAJ | OAC | doub | 1.22Å | 1.37Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAD | H7 | sing | 1.09Å | 1.10Å | |
| CAD | H8 | sing | 1.09Å | 1.10Å | |
| CAE | H9 | sing | 1.09Å | 1.10Å | |
| CAE | H10 | sing | 1.09Å | 1.10Å | |
| CAF | H11 | sing | 1.09Å | 1.10Å | |
| CAF | H12 | sing | 1.09Å | 1.10Å | |
| CAG | H13 | sing | 1.09Å | 1.10Å | |
| CAG | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.09Å | 1.10Å | |
| CAM | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAD | CAE | 114.5° | 110.0° |
| CAD | CAF | CAK | 113.2° | 109.1° |
| CAF | CAD | H7 | 108.2° | 109.4° |
| CAF | CAD | H8 | 108.2° | 109.4° |
| CAD | CAF | H11 | 108.5° | 109.5° |
| CAD | CAF | H12 | 108.5° | 109.5° |
| CAD | CAE | CAG | 116.4° | 109.6° |
| CAE | CAD | H7 | 108.2° | 109.4° |
| CAE | CAD | H8 | 108.2° | 109.4° |
| CAD | CAE | H9 | 107.7° | 109.4° |
| CAD | CAE | H10 | 107.7° | 109.4° |
| CAF | CAK | CAL | 123.1° | 110.5° |
| CAF | CAK | CAN | 120.5° | 108.7° |
| CAK | CAF | H11 | 108.6° | 109.5° |
| CAK | CAF | H12 | 108.5° | 109.5° |
| CAF | CAK | H15 | 90.2° | 109.3° |
| CAE | CAG | CAN | 115.2° | 108.1° |
| CAG | CAE | H9 | 107.7° | 109.5° |
| CAG | CAE | H10 | 107.7° | 109.5° |
| CAE | CAG | H13 | 108.0° | 109.8° |
| CAE | CAG | H14 | 108.0° | 109.7° |
| CAA | CAM | CAB | 102.4° | 109.5° |
| CAA | CAM | CAL | 112.6° | 109.5° |
| CAM | CAA | H1 | 109.5° | 109.5° |
| CAM | CAA | H2 | 109.5° | 109.5° |
| CAM | CAA | H3 | 109.5° | 109.4° |
| CAA | CAM | H16 | 111.1° | 109.5° |
| CAB | CAM | CAL | 108.7° | 109.5° |
| CAM | CAB | H4 | 109.5° | 109.4° |
| CAM | CAB | H5 | 109.5° | 109.5° |
| CAM | CAB | H6 | 109.5° | 109.5° |
| CAB | CAM | H16 | 111.4° | 109.4° |
| CAM | CAL | CAK | 124.9° | 119.1° |
| CAM | CAL | NAH | 115.5° | 119.1° |
| CAL | CAM | H16 | 110.4° | 109.4° |
| CAL | CAK | CAN | 116.4° | 110.7° |
| CAK | CAL | NAH | 119.6° | 121.8° |
| CAL | CAK | H15 | 90.2° | 109.2° |
| CAK | CAN | CAG | 121.8° | 118.2° |
| CAK | CAN | NAI | 121.1° | 121.5° |
| CAN | CAK | H15 | 90.2° | 108.4° |
| CAG | CAN | NAI | 117.1° | 120.3° |
| CAN | CAG | H13 | 108.0° | 109.7° |
| CAN | CAG | H14 | 108.0° | 109.7° |
| CAL | NAH | CAJ | 121.7° | 121.8° |
| CAN | NAI | CAJ | 118.0° | 122.0° |
| NAH | CAJ | NAI | 123.2° | 121.7° |
| NAH | CAJ | OAC | 118.0° | 119.1° |
| NAI | CAJ | OAC | 118.9° | 119.1° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H4 | CAB | H6 | 109.4° | 109.5° |
| H5 | CAB | H6 | 109.4° | 109.5° |
| H7 | CAD | H8 | 109.5° | 109.3° |
| H9 | CAE | H10 | 109.5° | 109.4° |
| H11 | CAF | H12 | 109.5° | 109.6° |
| H13 | CAG | H14 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAD | CAE | H7 | 120.7° | 120.2° |
| CAF | CAD | CAE | H8 | 120.7° | 120.1° |
| CAD | CAF | CAK | H11 | 120.5° | 119.9° |
| CAD | CAF | CAK | H12 | 120.5° | 119.9° |
| CAF | CAD | CAE | CAG | 45.6° | 63.2° |
| CAD | CAF | CAK | CAL | 152.9° | 176.6° |
| CAD | CAF | CAK | CAN | 26.3° | 54.9° |
| CAF | CAD | H7 | H8 | 117.7° | 119.7° |
| CAF | CAD | CAE | H9 | 75.4° | 176.8° |
| CAF | CAD | CAE | H10 | 166.5° | 56.9° |
| CAD | CAF | H11 | H12 | 118.3° | 120.2° |
| CAD | CAF | CAK | H15 | 116.7° | 63.2° |
| CAE | CAD | CAF | CAK | 49.0° | 63.0° |
| CAD | CAE | CAG | H9 | 121.0° | 120.0° |
| CAD | CAE | CAG | H10 | 121.0° | 120.1° |
| CAD | CAE | CAG | CAN | 18.3° | 54.6° |
| CAE | CAD | H7 | H8 | 117.7° | 119.8° |
| CAD | CAE | H9 | H10 | 116.8° | 119.9° |
| CAE | CAD | CAF | H11 | 169.6° | 56.9° |
| CAE | CAD | CAF | H12 | 71.5° | 177.1° |
| CAD | CAE | CAG | H13 | 139.1° | 65.1° |
| CAD | CAE | CAG | H14 | 102.6° | 174.2° |
| CAF | CAK | CAL | CAM | 0.5° | 54.1° |
| CAF | CAK | CAL | CAN | 179.3° | 120.5° |
| CAF | CAK | CAL | H15 | 90.4° | 120.2° |
| CAF | CAK | CAN | H15 | 90.4° | 118.7° |
| CAF | CAK | CAN | CAG | 0.2° | 52.4° |
| CAF | CAK | CAL | NAH | 179.7° | 125.9° |
| CAF | CAK | CAN | NAI | 179.7° | 127.5° |
| CAK | CAF | CAD | H7 | 169.8° | 176.8° |
| CAK | CAF | CAD | H8 | 71.7° | 57.1° |
| CAK | CAF | H11 | H12 | 118.3° | 120.2° |
| CAE | CAG | CAN | CAK | 4.6° | 52.0° |
| CAE | CAG | CAN | H13 | 120.8° | 119.7° |
| CAE | CAG | CAN | H14 | 120.9° | 119.6° |
| CAE | CAG | CAN | NAI | 175.8° | 127.9° |
| CAG | CAE | CAD | H7 | 166.3° | 176.6° |
| CAG | CAE | CAD | H8 | 75.2° | 56.9° |
| CAG | CAE | H9 | H10 | 116.9° | 120.0° |
| CAE | CAG | H13 | H14 | 117.4° | 120.6° |
| CAA | CAM | CAB | CAL | 119.3° | 120.1° |
| CAA | CAM | CAB | H16 | 118.8° | 120.0° |
| CAA | CAM | CAL | H16 | 124.8° | 120.0° |
| CAA | CAM | CAL | CAK | 100.1° | 65.3° |
| CAA | CAM | CAL | NAH | 80.1° | 114.7° |
| CAM | CAA | H1 | H2 | 120.0° | 120.1° |
| CAM | CAA | H1 | H3 | 120.0° | 119.9° |
| CAM | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAM | CAB | H4 | 180.0° | 58.6° |
| CAA | CAM | CAB | H5 | 60.0° | 178.6° |
| CAA | CAM | CAB | H6 | 60.0° | 61.4° |
| CAB | CAM | CAL | H16 | 122.5° | 120.0° |
| CAB | CAM | CAL | CAK | 147.2° | 174.7° |
| CAB | CAM | CAL | NAH | 32.5° | 5.4° |
| CAB | CAM | CAA | H1 | 180.0° | 59.9° |
| CAB | CAM | CAA | H2 | 60.0° | 180.0° |
| CAB | CAM | CAA | H3 | 60.0° | 60.0° |
| CAM | CAB | H4 | H5 | 120.0° | 120.0° |
| CAM | CAB | H4 | H6 | 120.0° | 120.0° |
| CAM | CAB | H5 | H6 | 120.0° | 120.1° |
| CAM | CAL | CAK | NAH | 179.8° | 180.0° |
| CAM | CAL | CAK | CAN | 179.8° | 174.6° |
| CAM | CAL | NAH | CAJ | 179.8° | 179.6° |
| CAL | CAM | CAA | H1 | 63.5° | 180.0° |
| CAL | CAM | CAA | H2 | 176.5° | 59.9° |
| CAL | CAM | CAA | H3 | 56.5° | 60.0° |
| CAL | CAM | CAB | H4 | 60.7° | 61.5° |
| CAL | CAM | CAB | H5 | 59.4° | 58.5° |
| CAL | CAM | CAB | H6 | 179.3° | 178.6° |
| CAM | CAL | CAK | H15 | 89.9° | 66.1° |
| CAL | CAK | CAN | H15 | 90.3° | 119.7° |
| CAL | CAK | CAN | CAG | 179.4° | 174.0° |
| CAL | CAK | CAN | NAI | 1.0° | 5.9° |
| CAK | CAL | NAH | CAJ | 0.0° | 0.4° |
| CAL | CAK | CAF | H11 | 32.4° | 56.7° |
| CAL | CAK | CAF | H12 | 86.5° | 63.6° |
| CAK | CAL | CAM | H16 | 24.8° | 54.7° |
| CAK | CAN | CAG | NAI | 179.6° | 179.9° |
| CAN | CAK | CAL | NAH | 0.4° | 5.4° |
| CAK | CAN | NAI | CAJ | 1.0° | 1.5° |
| CAN | CAK | CAF | H11 | 146.9° | 65.0° |
| CAN | CAK | CAF | H12 | 94.2° | 174.7° |
| CAK | CAN | CAG | H13 | 116.2° | 67.7° |
| CAK | CAN | CAG | H14 | 125.5° | 171.6° |
| CAG | CAN | NAI | CAJ | 179.4° | 178.4° |
| CAN | CAG | CAE | H9 | 102.7° | 174.6° |
| CAN | CAG | CAE | H10 | 139.3° | 65.5° |
| CAN | CAG | H13 | H14 | 117.4° | 120.6° |
| CAG | CAN | CAK | H15 | 90.2° | 66.3° |
| CAL | NAH | CAJ | NAI | 0.0° | 4.9° |
| CAL | NAH | CAJ | OAC | 179.7° | 175.0° |
| NAH | CAL | CAK | H15 | 89.9° | 113.8° |
| NAH | CAL | CAM | H16 | 155.0° | 125.3° |
| CAN | NAI | CAJ | NAH | 0.5° | 4.4° |
| CAN | NAI | CAJ | OAC | 179.8° | 175.6° |
| NAI | CAN | CAG | H13 | 63.4° | 112.4° |
| NAI | CAN | CAG | H14 | 54.9° | 8.3° |
| NAI | CAN | CAK | H15 | 89.4° | 113.8° |
| NAH | CAJ | NAI | OAC | 179.7° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAM | H16 | 61.0° | 60.1° |
| H2 | CAA | CAM | H16 | 59.1° | 60.0° |
| H3 | CAA | CAM | H16 | 179.0° | 180.0° |
| H4 | CAB | H5 | H6 | 119.9° | 120.0° |
| H4 | CAB | CAM | H16 | 61.2° | 178.6° |
| H5 | CAB | CAM | H16 | 178.8° | 61.4° |
| H6 | CAB | CAM | H16 | 58.8° | 58.6° |
| H7 | CAD | CAE | H9 | 45.3° | 56.6° |
| H7 | CAD | CAE | H10 | 72.7° | 63.3° |
| H7 | CAD | CAF | H11 | 69.7° | 63.3° |
| H7 | CAD | CAF | H12 | 49.2° | 56.9° |
| H8 | CAD | CAE | H9 | 163.8° | 63.1° |
| H8 | CAD | CAE | H10 | 45.8° | 177.0° |
| H8 | CAD | CAF | H11 | 48.8° | 177.0° |
| H8 | CAD | CAF | H12 | 167.7° | 62.7° |
| H9 | CAE | CAG | H13 | 18.1° | 54.9° |
| H9 | CAE | CAG | H14 | 136.4° | 65.8° |
| H10 | CAE | CAG | H13 | 99.9° | 174.8° |
| H10 | CAE | CAG | H14 | 18.4° | 54.1° |
| H11 | CAF | CAK | H15 | 122.7° | 176.9° |
| H12 | CAF | CAK | H15 | 3.8° | 56.6° |
