M5H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAJ | NAH | sing | 1.40Å | 1.36Å | Aromatic |
| NAJ | CAM | doub | 1.32Å | 1.35Å | Aromatic |
| NAH | CAL | sing | 1.34Å | 1.28Å | Aromatic |
| NAI | CAF | sing | 1.48Å | 1.51Å | |
| NAI | CAK | sing | 1.48Å | 1.27Å | |
| CAL | CAK | sing | 1.51Å | 1.52Å | |
| CAL | CAN | doub | 1.38Å | 1.50Å | Aromatic |
| CAM | CAC | sing | 1.41Å | 1.41Å | Aromatic |
| CAM | CAN | sing | 1.47Å | 1.38Å | Aromatic |
| CAF | CAE | sing | 1.54Å | 1.58Å | |
| CAK | NAG | sing | 1.48Å | 1.61Å | |
| CAC | CAA | doub | 1.36Å | 1.39Å | Aromatic |
| CAN | CAD | sing | 1.41Å | 1.40Å | Aromatic |
| NAG | CAE | sing | 1.49Å | 1.29Å | |
| CAA | CAB | sing | 1.40Å | 1.40Å | Aromatic |
| CAD | CAB | doub | 1.36Å | 1.38Å | Aromatic |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAB | H2 | sing | 1.08Å | 1.08Å | |
| CAC | H3 | sing | 1.08Å | 1.08Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.09Å | 1.10Å | |
| CAE | H6 | sing | 1.09Å | 1.10Å | |
| CAF | H7 | sing | 1.09Å | 1.10Å | |
| CAF | H8 | sing | 1.09Å | 1.10Å | |
| CAK | H9 | sing | 1.09Å | 1.10Å | |
| NAG | H10 | sing | 1.01Å | 1.00Å | |
| NAH | H12 | sing | 0.97Å | 1.00Å | |
| NAI | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAH | NAJ | CAM | 111.3° | 109.0° |
| NAJ | NAH | CAL | 111.3° | 109.9° |
| NAJ | NAH | H12 | 124.3° | 125.0° |
| NAJ | CAM | CAC | 133.3° | 134.7° |
| NAJ | CAM | CAN | 105.0° | 106.8° |
| NAH | CAL | CAK | 125.7° | 126.0° |
| NAH | CAL | CAN | 105.1° | 108.0° |
| CAL | NAH | H12 | 124.4° | 125.0° |
| CAF | NAI | CAK | 99.8° | 106.9° |
| NAI | CAF | CAE | 98.5° | 105.7° |
| NAI | CAF | H7 | 112.2° | 110.3° |
| NAI | CAF | H8 | 112.1° | 110.3° |
| CAF | NAI | H13 | 111.8° | 110.9° |
| NAI | CAK | CAL | 118.0° | 110.5° |
| NAI | CAK | NAG | 97.8° | 105.3° |
| NAI | CAK | H9 | 110.3° | 110.3° |
| CAK | NAI | H13 | 111.8° | 111.0° |
| CAK | CAL | CAN | 129.0° | 126.0° |
| CAL | CAK | NAG | 117.2° | 110.2° |
| CAL | CAK | H9 | 106.9° | 110.2° |
| CAL | CAN | CAM | 107.3° | 106.4° |
| CAL | CAN | CAD | 134.5° | 134.8° |
| CAC | CAM | CAN | 121.7° | 118.5° |
| CAM | CAC | CAA | 119.8° | 119.6° |
| CAM | CAC | H3 | 120.1° | 120.2° |
| CAM | CAN | CAD | 118.1° | 118.8° |
| CAF | CAE | NAG | 105.3° | 103.5° |
| CAF | CAE | H5 | 110.5° | 110.6° |
| CAF | CAE | H6 | 110.5° | 110.6° |
| CAE | CAF | H7 | 112.2° | 110.2° |
| CAE | CAF | H8 | 112.1° | 110.2° |
| CAK | NAG | CAE | 102.5° | 103.1° |
| NAG | CAK | H9 | 105.9° | 110.2° |
| CAK | NAG | H10 | 111.2° | 111.0° |
| CAC | CAA | CAB | 117.8° | 121.8° |
| CAC | CAA | H1 | 121.1° | 119.1° |
| CAA | CAC | H3 | 120.1° | 120.2° |
| CAN | CAD | CAB | 120.3° | 119.5° |
| CAN | CAD | H4 | 119.8° | 120.3° |
| NAG | CAE | H5 | 110.5° | 110.6° |
| NAG | CAE | H6 | 110.5° | 110.7° |
| CAE | NAG | H10 | 111.2° | 110.9° |
| CAA | CAB | CAD | 122.1° | 121.7° |
| CAB | CAA | H1 | 121.1° | 119.1° |
| CAA | CAB | H2 | 119.0° | 119.2° |
| CAD | CAB | H2 | 118.9° | 119.1° |
| CAB | CAD | H4 | 119.8° | 120.2° |
| H5 | CAE | H6 | 109.5° | 110.5° |
| H7 | CAF | H8 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAJ | NAH | CAL | H12 | 180.0° | 179.7° |
| NAJ | NAH | CAL | CAK | 176.6° | 179.7° |
| NAJ | NAH | CAL | CAN | 2.1° | 0.1° |
| NAH | NAJ | CAM | CAC | 179.9° | 180.0° |
| NAH | NAJ | CAM | CAN | 0.4° | 0.5° |
| CAM | NAJ | NAH | CAL | 1.2° | 0.4° |
| NAJ | CAM | CAN | CAL | 1.6° | 0.4° |
| NAJ | CAM | CAC | CAN | 179.6° | 179.5° |
| NAJ | CAM | CAC | CAA | 180.0° | 180.0° |
| NAJ | CAM | CAN | CAD | 179.5° | 179.6° |
| NAJ | CAM | CAC | H3 | 0.1° | 0.1° |
| CAM | NAJ | NAH | H12 | 178.8° | 179.9° |
| NAH | CAL | CAK | NAI | 34.0° | 141.1° |
| NAH | CAL | CAK | CAN | 173.2° | 179.8° |
| NAH | CAL | CAN | CAM | 2.3° | 0.2° |
| NAH | CAL | CAK | NAG | 150.5° | 25.2° |
| NAH | CAL | CAN | CAD | 179.8° | 179.2° |
| NAH | CAL | CAK | H9 | 90.9° | 96.8° |
| CAF | NAI | CAK | H13 | 118.4° | 121.1° |
| CAF | NAI | CAK | CAL | 175.7° | 143.3° |
| NAI | CAF | CAE | H7 | 118.2° | 119.1° |
| NAI | CAF | CAE | H8 | 118.1° | 119.1° |
| CAF | NAI | CAK | NAG | 57.8° | 24.3° |
| NAI | CAF | CAE | NAG | 10.3° | 22.6° |
| NAI | CAF | CAE | H5 | 129.6° | 95.9° |
| NAI | CAF | CAE | H6 | 109.1° | 141.2° |
| NAI | CAF | H7 | H8 | 125.1° | 121.9° |
| CAF | NAI | CAK | H9 | 52.5° | 94.6° |
| NAI | CAK | CAL | NAG | 116.6° | 116.0° |
| NAI | CAK | CAL | H9 | 124.9° | 122.1° |
| NAI | CAK | CAL | CAN | 152.8° | 39.1° |
| CAK | NAI | CAF | CAE | 46.0° | 0.9° |
| NAI | CAK | NAG | H9 | 113.8° | 118.9° |
| NAI | CAK | NAG | CAE | 53.2° | 38.6° |
| CAK | NAI | CAF | H7 | 72.2° | 120.0° |
| CAK | NAI | CAF | H8 | 164.2° | 118.2° |
| NAI | CAK | NAG | H10 | 65.6° | 80.2° |
| CAK | CAL | CAN | CAM | 176.6° | 180.0° |
| CAL | CAK | NAG | H9 | 119.1° | 121.9° |
| CAK | CAL | CAN | CAD | 5.9° | 1.0° |
| CAL | CAK | NAG | CAE | 179.7° | 157.7° |
| CAL | CAK | NAG | H10 | 61.5° | 39.0° |
| CAK | CAL | NAH | H12 | 3.4° | 0.0° |
| CAL | CAK | NAI | H13 | 65.9° | 22.3° |
| CAL | CAN | CAM | CAC | 178.7° | 180.0° |
| CAL | CAN | CAM | CAD | 177.9° | 179.2° |
| CAN | CAL | CAK | NAG | 36.3° | 155.0° |
| CAL | CAN | CAD | CAB | 177.8° | 179.4° |
| CAL | CAN | CAD | H4 | 2.2° | 0.6° |
| CAN | CAL | CAK | H9 | 82.3° | 83.0° |
| CAN | CAL | NAH | H12 | 177.9° | 179.8° |
| CAM | CAC | CAA | H3 | 180.0° | 180.0° |
| CAC | CAM | CAN | CAD | 0.8° | 0.8° |
| CAM | CAC | CAA | CAB | 0.1° | 0.0° |
| CAM | CAC | CAA | H1 | 179.9° | 179.7° |
| CAN | CAM | CAC | CAA | 0.4° | 0.5° |
| CAM | CAN | CAD | CAB | 0.5° | 0.5° |
| CAN | CAM | CAC | H3 | 179.5° | 179.5° |
| CAM | CAN | CAD | H4 | 179.5° | 179.5° |
| CAF | CAE | NAG | CAK | 20.8° | 37.2° |
| CAF | CAE | NAG | H5 | 119.3° | 118.5° |
| CAF | CAE | NAG | H6 | 119.4° | 118.6° |
| CAF | CAE | H5 | H6 | 121.9° | 122.9° |
| CAE | CAF | H7 | H8 | 125.1° | 121.7° |
| CAF | CAE | NAG | H10 | 98.1° | 81.6° |
| CAE | CAF | NAI | H13 | 72.4° | 120.2° |
| CAK | NAG | CAE | H10 | 118.8° | 118.9° |
| CAK | NAG | CAE | H5 | 98.6° | 81.3° |
| CAK | NAG | CAE | H6 | 140.1° | 155.8° |
| NAG | CAK | NAI | H13 | 60.7° | 96.8° |
| CAC | CAA | CAB | H1 | 180.0° | 179.7° |
| CAC | CAA | CAB | CAD | 0.3° | 0.3° |
| CAC | CAA | CAB | H2 | 179.7° | 179.7° |
| CAN | CAD | CAB | CAA | 0.0° | 0.0° |
| CAN | CAD | CAB | H4 | 180.0° | 179.9° |
| CAN | CAD | CAB | H2 | 180.0° | 180.0° |
| NAG | CAE | H5 | H6 | 121.9° | 122.9° |
| NAG | CAE | CAF | H7 | 107.9° | 96.5° |
| NAG | CAE | CAF | H8 | 128.4° | 141.8° |
| CAE | NAG | CAK | H9 | 60.6° | 80.3° |
| CAA | CAB | CAD | H2 | 180.0° | 180.0° |
| CAB | CAA | CAC | H3 | 179.9° | 180.0° |
| CAA | CAB | CAD | H4 | 180.0° | 180.0° |
| CAD | CAB | CAA | H1 | 179.7° | 180.0° |
| H1 | CAA | CAB | H2 | 0.3° | 0.0° |
| H1 | CAA | CAC | H3 | 0.1° | 0.3° |
| H2 | CAB | CAD | H4 | 0.0° | 0.1° |
| H5 | CAE | CAF | H7 | 11.4° | 145.0° |
| H5 | CAE | CAF | H8 | 112.2° | 23.2° |
| H5 | CAE | NAG | H10 | 142.6° | 159.8° |
| H6 | CAE | CAF | H7 | 132.7° | 22.1° |
| H6 | CAE | CAF | H8 | 9.1° | 99.6° |
| H6 | CAE | NAG | H10 | 21.3° | 36.9° |
| H7 | CAF | NAI | H13 | 169.4° | 1.1° |
| H8 | CAF | NAI | H13 | 45.7° | 120.7° |
| H9 | CAK | NAG | H10 | 179.4° | 160.9° |
| H9 | CAK | NAI | H13 | 170.9° | 144.4° |
