JN5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1V | C1W | doub | 1.39Å | 1.38Å | Aromatic |
| C1W | C1X | sing | 1.39Å | 1.38Å | Aromatic |
| C1W | H1W | sing | 1.08Å | 1.08Å | |
| C1Y | C1X | doub | 1.38Å | 1.39Å | Aromatic |
| C1X | H1X | sing | 1.08Å | 1.08Å | |
| N1Z | C1Y | sing | 1.32Å | 1.33Å | Aromatic |
| C1Y | H1Y | sing | 1.08Å | 1.08Å | |
| C2A | N1Z | doub | 1.32Å | 1.34Å | Aromatic |
| C2A | C1V | sing | 1.38Å | 1.38Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| C1U | C1V | sing | 1.51Å | 1.51Å | |
| C1U | C1T | sing | 1.53Å | 1.51Å | |
| C1U | H1U | sing | 1.09Å | 1.10Å | |
| C1U | H1UA | sing | 1.09Å | 1.10Å | |
| N1S | C1T | sing | 1.47Å | 1.46Å | |
| C1T | H1T | sing | 1.09Å | 1.10Å | |
| C1T | H1TA | sing | 1.09Å | 1.10Å | |
| N1S | C2 | sing | 1.38Å | 1.34Å | |
| N1S | HN1S | sing | 0.97Å | 1.00Å | |
| N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.33Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | C1J | sing | 1.51Å | 1.40Å | |
| C1J | C1I | sing | 1.51Å | 1.38Å | |
| C1J | C1K | sing | 1.47Å | 1.42Å | |
| C1J | H1J | sing | 1.09Å | 1.10Å | |
| C1K | N1L | trip | 1.14Å | 1.13Å | |
| S1H | C1I | sing | 1.71Å | 1.77Å | Aromatic |
| C1I | N1G | doub | 1.28Å | 1.40Å | Aromatic |
| N1G | C1E | sing | 1.35Å | 1.40Å | Aromatic |
| C1F | C1E | doub | 1.40Å | 1.41Å | Aromatic |
| C1E | C1C | sing | 1.41Å | 1.40Å | Aromatic |
| C1C | C1A | doub | 1.36Å | 1.39Å | Aromatic |
| C1C | H1C | sing | 1.08Å | 1.08Å | |
| C1B | C1A | sing | 1.39Å | 1.40Å | Aromatic |
| C1A | H1A | sing | 1.08Å | 1.08Å | |
| C1D | C1B | doub | 1.38Å | 1.40Å | Aromatic |
| C1B | H1B | sing | 1.08Å | 1.08Å | |
| C1F | C1D | sing | 1.39Å | 1.40Å | Aromatic |
| C1D | H1D | sing | 1.08Å | 1.08Å | |
| S1H | C1F | sing | 1.76Å | 1.71Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1V | C1W | C1X | 120.0° | 118.4° |
| C1V | C1W | H1W | 120.0° | 120.8° |
| C1W | C1V | C2A | 119.4° | 119.2° |
| C1W | C1V | C1U | 119.2° | 120.4° |
| C1X | C1W | H1W | 120.0° | 120.8° |
| C1W | C1X | C1Y | 118.2° | 119.2° |
| C1W | C1X | H1X | 120.9° | 120.4° |
| C1Y | C1X | H1X | 120.9° | 120.4° |
| C1X | C1Y | N1Z | 120.4° | 120.7° |
| C1X | C1Y | H1Y | 119.8° | 119.6° |
| N1Z | C1Y | H1Y | 119.8° | 119.6° |
| C1Y | N1Z | C2A | 122.6° | 121.7° |
| N1Z | C2A | C1V | 119.4° | 120.8° |
| N1Z | C2A | H2A | 120.3° | 119.6° |
| C1V | C2A | H2A | 120.3° | 119.6° |
| C2A | C1V | C1U | 121.4° | 120.4° |
| C1V | C1U | C1T | 113.1° | 109.5° |
| C1V | C1U | H1U | 108.3° | 109.4° |
| C1V | C1U | H1UA | 107.5° | 109.5° |
| C1T | C1U | H1U | 108.3° | 109.5° |
| C1T | C1U | H1UA | 107.5° | 109.5° |
| C1U | C1T | N1S | 108.0° | 109.5° |
| C1U | C1T | H1T | 109.9° | 109.5° |
| C1U | C1T | H1TA | 110.3° | 109.5° |
| H1U | C1U | H1UA | 112.3° | 109.5° |
| N1S | C1T | H1T | 110.0° | 109.4° |
| N1S | C1T | H1TA | 110.3° | 109.5° |
| C1T | N1S | C2 | 122.0° | 120.0° |
| C1T | N1S | HN1S | 105.5° | 120.0° |
| H1T | C1T | H1TA | 108.4° | 109.5° |
| C2 | N1S | HN1S | 105.5° | 120.0° |
| N1S | C2 | N1 | 119.6° | 119.2° |
| N1S | C2 | N3 | 119.3° | 119.2° |
| N1 | C2 | N3 | 121.1° | 121.5° |
| C2 | N1 | C6 | 120.6° | 120.8° |
| C2 | N3 | C4 | 120.8° | 120.8° |
| N3 | C4 | C5 | 118.4° | 119.2° |
| N3 | C4 | C1J | 120.4° | 120.4° |
| N1 | C6 | C5 | 119.3° | 119.2° |
| N1 | C6 | H6 | 120.3° | 120.4° |
| C5 | C6 | H6 | 120.4° | 120.4° |
| C6 | C5 | C4 | 119.8° | 118.6° |
| C6 | C5 | H5 | 120.1° | 120.7° |
| C4 | C5 | H5 | 120.1° | 120.7° |
| C5 | C4 | C1J | 121.2° | 120.4° |
| C4 | C1J | C1I | 119.9° | 109.5° |
| C4 | C1J | C1K | 118.5° | 109.5° |
| C4 | C1J | H1J | 100.1° | 109.5° |
| C1I | C1J | C1K | 121.0° | 109.5° |
| C1I | C1J | H1J | 84.6° | 109.5° |
| C1J | C1I | S1H | 125.0° | 124.2° |
| C1J | C1I | N1G | 124.4° | 124.3° |
| C1K | C1J | H1J | 93.3° | 109.5° |
| C1J | C1K | N1L | 176.1° | 180.0° |
| S1H | C1I | N1G | 110.6° | 111.5° |
| C1I | S1H | C1F | 90.9° | 90.8° |
| C1I | N1G | C1E | 113.5° | 117.9° |
| N1G | C1E | C1F | 111.7° | 111.8° |
| N1G | C1E | C1C | 129.5° | 129.7° |
| C1F | C1E | C1C | 118.8° | 118.5° |
| C1E | C1F | C1D | 121.8° | 120.3° |
| C1E | C1F | S1H | 113.2° | 108.0° |
| C1E | C1C | C1A | 119.9° | 120.4° |
| C1E | C1C | H1C | 120.0° | 119.8° |
| C1A | C1C | H1C | 120.1° | 119.8° |
| C1C | C1A | C1B | 121.0° | 120.8° |
| C1C | C1A | H1A | 119.5° | 119.6° |
| C1B | C1A | H1A | 119.5° | 119.6° |
| C1A | C1B | C1D | 120.0° | 120.0° |
| C1A | C1B | H1B | 120.0° | 120.0° |
| C1D | C1B | H1B | 120.0° | 120.0° |
| C1B | C1D | C1F | 118.5° | 120.0° |
| C1B | C1D | H1D | 120.7° | 120.0° |
| C1F | C1D | H1D | 120.8° | 120.1° |
| C1D | C1F | S1H | 125.0° | 131.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1V | C1W | C1X | H1W | 180.0° | 179.8° |
| C1V | C1W | C1X | C1Y | 0.7° | 0.2° |
| C1V | C1W | C1X | H1X | 179.3° | 179.8° |
| C1W | C1V | C2A | N1Z | 0.8° | 0.5° |
| C1W | C1V | C2A | C1U | 179.1° | 179.5° |
| C1W | C1V | C2A | H2A | 179.2° | 179.8° |
| C1W | C1V | C1U | C1T | 94.8° | 90.5° |
| C1W | C1V | C1U | H1U | 145.2° | 29.5° |
| C1W | C1V | C1U | H1UA | 23.7° | 149.5° |
| C1W | C1X | C1Y | H1X | 180.0° | 180.0° |
| C1W | C1X | C1Y | N1Z | 0.2° | 0.0° |
| C1W | C1X | C1Y | H1Y | 179.8° | 180.0° |
| C1X | C1W | C1V | C2A | 1.3° | 0.5° |
| C1X | C1W | C1V | C1U | 179.6° | 180.0° |
| H1W | C1W | C1X | C1Y | 179.3° | 180.0° |
| H1W | C1W | C1X | H1X | 0.8° | 0.1° |
| H1W | C1W | C1V | C2A | 178.7° | 179.7° |
| H1W | C1W | C1V | C1U | 0.4° | 0.2° |
| C1X | C1Y | N1Z | H1Y | 180.0° | 179.9° |
| C1X | C1Y | N1Z | C2A | 0.7° | 0.1° |
| H1X | C1X | C1Y | N1Z | 179.8° | 180.0° |
| H1X | C1X | C1Y | H1Y | 0.2° | 0.0° |
| C1Y | N1Z | C2A | C1V | 0.1° | 0.3° |
| C1Y | N1Z | C2A | H2A | 179.9° | 180.0° |
| H1Y | C1Y | N1Z | C2A | 179.3° | 180.0° |
| N1Z | C2A | C1V | H2A | 180.0° | 179.7° |
| N1Z | C2A | C1V | C1U | 180.0° | 180.0° |
| C2A | C1V | C1U | C1T | 84.3° | 90.0° |
| C2A | C1V | C1U | H1U | 35.7° | 150.0° |
| C2A | C1V | C1U | H1UA | 157.2° | 30.0° |
| H2A | C2A | C1V | C1U | 0.0° | 0.3° |
| C1V | C1U | C1T | H1U | 120.0° | 120.0° |
| C1V | C1U | C1T | H1UA | 118.5° | 120.0° |
| C1V | C1U | H1U | H1UA | 118.5° | 120.0° |
| C1V | C1U | C1T | N1S | 175.0° | 180.0° |
| C1V | C1U | C1T | H1T | 65.1° | 60.0° |
| C1V | C1U | C1T | H1TA | 54.4° | 60.0° |
| C1T | C1U | H1U | H1UA | 118.5° | 120.0° |
| C1U | C1T | N1S | H1T | 120.0° | 120.0° |
| C1U | C1T | N1S | H1TA | 120.6° | 120.0° |
| C1U | C1T | H1T | H1TA | 120.6° | 120.0° |
| C1U | C1T | N1S | C2 | 105.6° | 180.0° |
| C1U | C1T | N1S | HN1S | 134.4° | 0.0° |
| H1U | C1U | C1T | N1S | 55.0° | 60.0° |
| H1U | C1U | C1T | H1T | 174.9° | 180.0° |
| H1U | C1U | C1T | H1TA | 65.6° | 60.0° |
| H1UA | C1U | C1T | N1S | 66.6° | 60.0° |
| H1UA | C1U | C1T | H1T | 53.4° | 60.0° |
| H1UA | C1U | C1T | H1TA | 172.8° | 180.0° |
| N1S | C1T | H1T | H1TA | 120.6° | 120.0° |
| C1T | N1S | C2 | HN1S | 120.0° | 179.9° |
| C1T | N1S | C2 | N1 | 176.7° | 0.2° |
| C1T | N1S | C2 | N3 | 3.0° | 180.0° |
| H1T | C1T | N1S | C2 | 14.4° | 60.0° |
| H1T | C1T | N1S | HN1S | 105.6° | 120.0° |
| H1TA | C1T | N1S | C2 | 133.8° | 60.0° |
| H1TA | C1T | N1S | HN1S | 13.8° | 120.0° |
| N1S | C2 | N1 | N3 | 179.7° | 179.8° |
| N1S | C2 | N3 | C4 | 179.2° | 180.0° |
| N1S | C2 | N1 | C6 | 179.2° | 180.0° |
| HN1S | N1S | C2 | N1 | 63.3° | 179.8° |
| HN1S | N1S | C2 | N3 | 117.0° | 0.1° |
| N1 | C2 | N3 | C4 | 1.1° | 0.2° |
| C2 | N1 | C6 | C5 | 0.5° | 0.1° |
| C2 | N1 | C6 | H6 | 179.5° | 179.9° |
| N3 | C2 | N1 | C6 | 1.1° | 0.1° |
| C2 | N3 | C4 | C5 | 0.5° | 0.0° |
| C2 | N3 | C4 | C1J | 178.4° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.2° |
| N3 | C4 | C5 | C1J | 177.9° | 180.0° |
| N3 | C4 | C5 | H5 | 180.0° | 180.0° |
| N3 | C4 | C1J | C1I | 22.2° | 95.0° |
| N3 | C4 | C1J | C1K | 166.7° | 145.0° |
| N3 | C4 | C1J | H1J | 67.3° | 25.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.0° | 0.2° |
| N1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | H5 | 180.0° | 179.8° |
| C6 | C5 | C4 | C1J | 177.9° | 179.8° |
| H6 | C6 | C5 | C4 | 180.0° | 179.8° |
| H6 | C6 | C5 | H5 | 0.0° | 0.0° |
| C5 | C4 | C1J | C1I | 155.6° | 85.0° |
| C5 | C4 | C1J | C1K | 15.4° | 35.0° |
| C5 | C4 | C1J | H1J | 114.9° | 155.0° |
| H5 | C5 | C4 | C1J | 2.1° | 0.0° |
| C4 | C1J | C1I | C1K | 170.8° | 120.0° |
| C4 | C1J | C1I | H1J | 98.6° | 120.0° |
| C4 | C1J | C1K | H1J | 103.4° | 120.0° |
| C4 | C1J | C1K | N1L | 27.8° | 4.7° |
| C4 | C1J | C1I | S1H | 18.9° | 60.3° |
| C4 | C1J | C1I | N1G | 160.2° | 120.0° |
| C1I | C1J | C1K | H1J | 85.7° | 120.0° |
| C1I | C1J | C1K | N1L | 161.2° | 115.3° |
| C1J | C1I | S1H | N1G | 179.2° | 179.8° |
| C1J | C1I | N1G | C1E | 179.0° | 180.0° |
| C1J | C1I | S1H | C1F | 178.9° | 179.9° |
| C1K | C1J | C1I | S1H | 170.3° | 59.7° |
| C1K | C1J | C1I | N1G | 10.6° | 120.0° |
| H1J | C1J | C1K | N1L | 75.6° | 124.7° |
| H1J | C1J | C1I | S1H | 79.6° | 179.7° |
| H1J | C1J | C1I | N1G | 101.2° | 0.0° |
| S1H | C1I | N1G | C1E | 0.3° | 0.2° |
| C1I | S1H | C1F | C1E | 0.3° | 0.3° |
| C1I | S1H | C1F | C1D | 179.8° | 179.9° |
| C1I | N1G | C1E | C1F | 0.0° | 0.0° |
| C1I | N1G | C1E | C1C | 179.8° | 180.0° |
| N1G | C1I | S1H | C1F | 0.3° | 0.3° |
| N1G | C1E | C1F | C1C | 179.8° | 179.9° |
| N1G | C1E | C1C | C1A | 178.7° | 180.0° |
| N1G | C1E | C1C | H1C | 1.3° | 0.1° |
| N1G | C1E | C1F | C1D | 179.9° | 180.0° |
| N1G | C1E | C1F | S1H | 0.2° | 0.3° |
| C1F | C1E | C1C | C1A | 1.5° | 0.1° |
| C1F | C1E | C1C | H1C | 178.4° | 180.0° |
| C1E | C1F | C1D | C1B | 0.6° | 0.0° |
| C1E | C1F | C1D | S1H | 179.9° | 179.7° |
| C1E | C1F | C1D | H1D | 179.4° | 180.0° |
| C1E | C1C | C1A | H1C | 180.0° | 179.9° |
| C1E | C1C | C1A | C1B | 2.0° | 0.1° |
| C1E | C1C | C1A | H1A | 178.0° | 180.0° |
| C1C | C1E | C1F | C1D | 0.3° | 0.0° |
| C1C | C1E | C1F | S1H | 179.6° | 179.8° |
| C1C | C1A | C1B | H1A | 180.0° | 179.9° |
| C1C | C1A | C1B | C1D | 1.0° | 0.1° |
| C1C | C1A | C1B | H1B | 179.0° | 180.0° |
| H1C | C1C | C1A | C1B | 178.0° | 180.0° |
| H1C | C1C | C1A | H1A | 2.0° | 0.1° |
| C1A | C1B | C1D | H1B | 180.0° | 179.9° |
| C1A | C1B | C1D | C1F | 0.3° | 0.0° |
| C1A | C1B | C1D | H1D | 179.7° | 180.0° |
| H1A | C1A | C1B | C1D | 178.9° | 180.0° |
| H1A | C1A | C1B | H1B | 1.0° | 0.1° |
| C1B | C1D | C1F | H1D | 180.0° | 180.0° |
| C1B | C1D | C1F | S1H | 179.5° | 179.7° |
| H1B | C1B | C1D | C1F | 179.7° | 180.0° |
| H1B | C1B | C1D | H1D | 0.3° | 0.1° |
| H1D | C1D | C1F | S1H | 0.5° | 0.3° |
