5PM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1A | N11 | doub | 1.32Å | 1.33Å | Aromatic |
| N11 | C1E | sing | 1.33Å | 1.34Å | Aromatic |
| C1F | N12 | doub | 1.30Å | 1.29Å | |
| N12 | C1G | sing | 1.37Å | 1.46Å | |
| C1Q | N13 | sing | 1.37Å | 1.46Å | |
| N13 | C1T | doub | 1.30Å | 1.28Å | |
| N14 | C1Y | doub | 1.32Å | 1.33Å | Aromatic |
| N14 | C1U | sing | 1.33Å | 1.38Å | Aromatic |
| C1B | C1A | sing | 1.38Å | 1.40Å | Aromatic |
| C1A | H1A | sing | 1.08Å | 1.08Å | |
| C1B | C1C | doub | 1.39Å | 1.34Å | Aromatic |
| C1B | H1B | sing | 1.08Å | 1.08Å | |
| C1C | C1D | sing | 1.38Å | 1.38Å | Aromatic |
| C1C | H1C | sing | 1.08Å | 1.08Å | |
| C1D | C1E | doub | 1.40Å | 1.38Å | Aromatic |
| C1D | H1D | sing | 1.08Å | 1.08Å | |
| C1E | C1F | sing | 1.47Å | 1.45Å | |
| C1F | H1F | sing | 1.08Å | 1.08Å | |
| C1G | C1L | doub | 1.40Å | 1.38Å | Aromatic |
| C1G | C1H | sing | 1.40Å | 1.38Å | Aromatic |
| C1H | C1I | doub | 1.38Å | 1.40Å | Aromatic |
| C1H | H1H | sing | 1.08Å | 1.08Å | |
| C1I | C1J | sing | 1.39Å | 1.38Å | Aromatic |
| C1I | H1I | sing | 1.08Å | 1.08Å | |
| C1K | C1J | doub | 1.39Å | 1.40Å | Aromatic |
| C1J | S1M | sing | 1.76Å | 1.51Å | |
| C1L | C1K | sing | 1.38Å | 1.39Å | Aromatic |
| C1K | H1K | sing | 1.08Å | 1.08Å | |
| C1L | H1L | sing | 1.08Å | 1.08Å | |
| S1M | C1N | sing | 1.76Å | 1.52Å | |
| C1S | C1N | doub | 1.39Å | 1.36Å | Aromatic |
| C1N | C1O | sing | 1.39Å | 1.37Å | Aromatic |
| C1O | C1P | doub | 1.38Å | 1.39Å | Aromatic |
| C1O | H1O | sing | 1.08Å | 1.08Å | |
| C1Q | C1P | sing | 1.40Å | 1.36Å | Aromatic |
| C1P | H1P | sing | 1.08Å | 1.08Å | |
| C1R | C1Q | doub | 1.40Å | 1.36Å | Aromatic |
| C1S | C1R | sing | 1.38Å | 1.37Å | Aromatic |
| C1R | H1R | sing | 1.08Å | 1.08Å | |
| C1S | H1S | sing | 1.08Å | 1.08Å | |
| C1T | C1U | sing | 1.47Å | 1.44Å | |
| C1T | H1T | sing | 1.08Å | 1.08Å | |
| C1U | C1V | doub | 1.40Å | 1.39Å | Aromatic |
| C1V | C1W | sing | 1.38Å | 1.38Å | Aromatic |
| C1V | H1V | sing | 1.08Å | 1.08Å | |
| C1X | C1W | doub | 1.39Å | 1.39Å | Aromatic |
| C1W | H1W | sing | 1.08Å | 1.08Å | |
| C1Y | C1X | sing | 1.38Å | 1.37Å | Aromatic |
| C1X | H1X | sing | 1.08Å | 1.08Å | |
| C1Y | H1Y | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1A | N11 | C1E | 116.8° | 121.6° |
| N11 | C1A | C1B | 124.6° | 120.9° |
| N11 | C1A | H1A | 117.7° | 119.5° |
| N11 | C1E | C1D | 121.6° | 120.5° |
| N11 | C1E | C1F | 111.5° | 119.8° |
| C1F | N12 | C1G | 116.9° | 119.9° |
| N12 | C1F | C1E | 118.9° | 120.0° |
| N12 | C1F | H1F | 120.6° | 120.0° |
| N12 | C1G | C1L | 117.4° | 120.1° |
| N12 | C1G | C1H | 123.7° | 120.1° |
| C1Q | N13 | C1T | 117.0° | 120.0° |
| N13 | C1Q | C1P | 123.0° | 120.1° |
| N13 | C1Q | C1R | 118.2° | 120.1° |
| N13 | C1T | C1U | 116.9° | 120.0° |
| N13 | C1T | H1T | 121.6° | 120.0° |
| C1Y | N14 | C1U | 118.3° | 121.6° |
| N14 | C1Y | C1X | 121.6° | 121.0° |
| N14 | C1Y | H1Y | 119.2° | 119.5° |
| N14 | C1U | C1T | 113.5° | 119.8° |
| N14 | C1U | C1V | 122.1° | 120.5° |
| C1B | C1A | H1A | 117.7° | 119.5° |
| C1A | C1B | C1C | 117.4° | 119.4° |
| C1A | C1B | H1B | 121.3° | 120.3° |
| C1C | C1B | H1B | 121.3° | 120.3° |
| C1B | C1C | C1D | 119.2° | 118.5° |
| C1B | C1C | H1C | 120.4° | 120.7° |
| C1D | C1C | H1C | 120.4° | 120.7° |
| C1C | C1D | C1E | 120.4° | 119.0° |
| C1C | C1D | H1D | 119.8° | 120.5° |
| C1E | C1D | H1D | 119.8° | 120.5° |
| C1D | C1E | C1F | 126.8° | 119.7° |
| C1E | C1F | H1F | 120.6° | 120.0° |
| C1L | C1G | C1H | 118.8° | 119.9° |
| C1G | C1L | C1K | 120.7° | 119.9° |
| C1G | C1L | H1L | 119.7° | 120.1° |
| C1G | C1H | C1I | 120.4° | 119.9° |
| C1G | C1H | H1H | 119.8° | 120.0° |
| C1I | C1H | H1H | 119.8° | 120.1° |
| C1H | C1I | C1J | 121.7° | 120.1° |
| C1H | C1I | H1I | 119.2° | 119.9° |
| C1J | C1I | H1I | 119.1° | 120.0° |
| C1I | C1J | C1K | 117.2° | 120.1° |
| C1I | C1J | S1M | 123.3° | 119.9° |
| C1K | C1J | S1M | 119.5° | 119.9° |
| C1J | C1K | C1L | 121.1° | 120.1° |
| C1J | C1K | H1K | 119.5° | 119.9° |
| C1J | S1M | C1N | 118.8° | 103.0° |
| C1L | C1K | H1K | 119.5° | 119.9° |
| C1K | C1L | H1L | 119.6° | 120.0° |
| S1M | C1N | C1S | 121.1° | 119.9° |
| S1M | C1N | C1O | 123.0° | 119.9° |
| C1S | C1N | C1O | 115.9° | 120.2° |
| C1N | C1S | C1R | 122.7° | 120.1° |
| C1N | C1S | H1S | 118.6° | 119.9° |
| C1N | C1O | C1P | 122.0° | 120.0° |
| C1N | C1O | H1O | 119.0° | 120.0° |
| C1P | C1O | H1O | 119.0° | 120.0° |
| C1O | C1P | C1Q | 120.2° | 120.0° |
| C1O | C1P | H1P | 119.9° | 120.0° |
| C1Q | C1P | H1P | 119.9° | 120.0° |
| C1P | C1Q | C1R | 118.7° | 119.8° |
| C1Q | C1R | C1S | 120.5° | 119.9° |
| C1Q | C1R | H1R | 119.8° | 120.0° |
| C1S | C1R | H1R | 119.8° | 120.0° |
| C1R | C1S | H1S | 118.7° | 120.0° |
| C1U | C1T | H1T | 121.6° | 120.0° |
| C1T | C1U | C1V | 124.4° | 119.7° |
| C1U | C1V | C1W | 118.8° | 119.0° |
| C1U | C1V | H1V | 120.6° | 120.5° |
| C1W | C1V | H1V | 120.6° | 120.5° |
| C1V | C1W | C1X | 117.8° | 118.5° |
| C1V | C1W | H1W | 121.1° | 120.7° |
| C1X | C1W | H1W | 121.1° | 120.8° |
| C1W | C1X | C1Y | 121.4° | 119.4° |
| C1W | C1X | H1X | 119.3° | 120.3° |
| C1Y | C1X | H1X | 119.3° | 120.3° |
| C1X | C1Y | H1Y | 119.2° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C1A | C1B | H1A | 180.0° | 180.0° |
| N11 | C1A | C1B | C1C | 0.8° | 0.0° |
| N11 | C1A | C1B | H1B | 179.2° | 179.9° |
| C1A | N11 | C1E | C1D | 1.2° | 0.1° |
| C1A | N11 | C1E | C1F | 179.5° | 179.9° |
| N11 | C1E | C1F | N12 | 1.1° | 0.0° |
| C1E | N11 | C1A | C1B | 0.0° | 0.1° |
| C1E | N11 | C1A | H1A | 180.0° | 180.0° |
| N11 | C1E | C1D | C1C | 1.6° | 0.0° |
| N11 | C1E | C1D | C1F | 178.1° | 180.0° |
| N11 | C1E | C1D | H1D | 178.4° | 179.9° |
| N11 | C1E | C1F | H1F | 178.9° | 179.9° |
| N12 | C1F | C1E | C1D | 179.4° | 180.0° |
| N12 | C1F | C1E | H1F | 180.0° | 179.9° |
| C1F | N12 | C1G | C1L | 73.0° | 135.0° |
| C1F | N12 | C1G | C1H | 106.7° | 44.8° |
| C1G | N12 | C1F | C1E | 178.7° | 180.0° |
| C1G | N12 | C1F | H1F | 1.2° | 0.1° |
| N12 | C1G | C1L | C1H | 179.7° | 179.8° |
| N12 | C1G | C1H | C1I | 178.7° | 180.0° |
| N12 | C1G | C1H | H1H | 1.3° | 0.0° |
| N12 | C1G | C1L | C1K | 179.9° | 179.7° |
| N12 | C1G | C1L | H1L | 0.1° | 0.0° |
| N13 | C1Q | C1P | C1O | 177.8° | 180.0° |
| N13 | C1Q | C1P | C1R | 177.7° | 179.9° |
| N13 | C1Q | C1P | H1P | 2.2° | 0.0° |
| N13 | C1Q | C1R | C1S | 179.6° | 179.8° |
| N13 | C1Q | C1R | H1R | 0.4° | 0.1° |
| C1Q | N13 | C1T | C1U | 178.0° | 180.0° |
| C1Q | N13 | C1T | H1T | 2.0° | 0.1° |
| N13 | C1T | C1U | N14 | 1.3° | 0.0° |
| C1T | N13 | C1Q | C1P | 116.9° | 135.0° |
| C1T | N13 | C1Q | C1R | 65.4° | 45.1° |
| N13 | C1T | C1U | H1T | 180.0° | 179.9° |
| N13 | C1T | C1U | C1V | 177.9° | 179.9° |
| C1Y | N14 | C1U | C1T | 178.6° | 180.0° |
| C1Y | N14 | C1U | C1V | 2.2° | 0.0° |
| N14 | C1Y | C1X | C1W | 1.1° | 0.0° |
| N14 | C1Y | C1X | H1Y | 180.0° | 180.0° |
| N14 | C1Y | C1X | H1X | 178.9° | 180.0° |
| N14 | C1U | C1T | C1V | 179.2° | 179.9° |
| N14 | C1U | C1T | H1T | 178.7° | 180.0° |
| N14 | C1U | C1V | C1W | 0.8° | 0.0° |
| N14 | C1U | C1V | H1V | 179.2° | 180.0° |
| C1U | N14 | C1Y | C1X | 2.3° | 0.0° |
| C1U | N14 | C1Y | H1Y | 177.7° | 180.0° |
| C1A | C1B | C1C | H1B | 180.0° | 180.0° |
| C1A | C1B | C1C | C1D | 0.4° | 0.0° |
| C1A | C1B | C1C | H1C | 179.6° | 179.9° |
| H1A | C1A | C1B | C1C | 179.2° | 180.0° |
| H1A | C1A | C1B | H1B | 0.8° | 0.0° |
| C1B | C1C | C1D | H1C | 180.0° | 180.0° |
| C1B | C1C | C1D | C1E | 0.7° | 0.0° |
| C1B | C1C | C1D | H1D | 179.3° | 180.0° |
| H1B | C1B | C1C | C1D | 179.6° | 180.0° |
| H1B | C1B | C1C | H1C | 0.4° | 0.0° |
| C1C | C1D | C1E | H1D | 180.0° | 179.9° |
| C1C | C1D | C1E | C1F | 179.7° | 180.0° |
| H1C | C1C | C1D | C1E | 179.3° | 179.9° |
| H1C | C1C | C1D | H1D | 0.7° | 0.0° |
| C1D | C1E | C1F | H1F | 0.6° | 0.0° |
| H1D | C1D | C1E | C1F | 0.3° | 0.1° |
| C1L | C1G | C1H | C1I | 1.0° | 0.2° |
| C1L | C1G | C1H | H1H | 179.0° | 179.8° |
| C1G | C1L | C1K | C1J | 0.2° | 0.5° |
| C1G | C1L | C1K | H1L | 180.0° | 179.8° |
| C1G | C1L | C1K | H1K | 179.8° | 179.8° |
| C1G | C1H | C1I | H1H | 180.0° | 180.0° |
| C1G | C1H | C1I | C1J | 2.6° | 0.1° |
| C1G | C1H | C1I | H1I | 177.3° | 180.0° |
| C1H | C1G | C1L | C1K | 0.2° | 0.5° |
| C1H | C1G | C1L | H1L | 179.8° | 179.8° |
| C1H | C1I | C1J | H1I | 180.0° | 179.9° |
| C1H | C1I | C1J | C1K | 3.0° | 0.1° |
| C1H | C1I | C1J | S1M | 177.4° | 180.0° |
| H1H | C1H | C1I | C1J | 177.3° | 179.9° |
| H1H | C1H | C1I | H1I | 2.7° | 0.0° |
| C1I | C1J | C1K | S1M | 179.7° | 179.9° |
| C1I | C1J | C1K | C1L | 1.8° | 0.2° |
| C1I | C1J | C1K | H1K | 178.3° | 180.0° |
| C1I | C1J | S1M | C1N | 143.6° | 5.7° |
| H1I | C1I | C1J | C1K | 177.0° | 180.0° |
| H1I | C1I | C1J | S1M | 2.6° | 0.1° |
| C1J | C1K | C1L | H1K | 180.0° | 179.8° |
| C1J | C1K | C1L | H1L | 179.8° | 179.8° |
| C1K | C1J | S1M | C1N | 36.8° | 174.4° |
| S1M | C1J | C1K | C1L | 178.5° | 179.7° |
| S1M | C1J | C1K | H1K | 1.4° | 0.0° |
| C1J | S1M | C1N | C1S | 50.3° | 85.4° |
| C1J | S1M | C1N | C1O | 129.3° | 94.9° |
| H1K | C1K | C1L | H1L | 0.2° | 0.0° |
| S1M | C1N | C1S | C1O | 179.6° | 179.7° |
| S1M | C1N | C1O | C1P | 178.5° | 180.0° |
| S1M | C1N | C1O | H1O | 1.5° | 0.1° |
| S1M | C1N | C1S | C1R | 179.7° | 179.7° |
| S1M | C1N | C1S | H1S | 0.3° | 0.0° |
| C1S | C1N | C1O | C1P | 1.9° | 0.3° |
| C1S | C1N | C1O | H1O | 178.1° | 179.7° |
| C1N | C1S | C1R | C1Q | 1.7° | 0.6° |
| C1N | C1S | C1R | H1S | 180.0° | 179.7° |
| C1N | C1S | C1R | H1R | 178.3° | 179.7° |
| C1N | C1O | C1P | H1O | 180.0° | 179.9° |
| C1N | C1O | C1P | C1Q | 1.8° | 0.1° |
| C1N | C1O | C1P | H1P | 178.2° | 179.9° |
| C1O | C1N | C1S | C1R | 0.2° | 0.6° |
| C1O | C1N | C1S | H1S | 179.9° | 179.7° |
| C1O | C1P | C1Q | H1P | 180.0° | 180.0° |
| C1O | C1P | C1Q | C1R | 0.1° | 0.0° |
| H1O | C1O | C1P | C1Q | 178.2° | 180.0° |
| H1O | C1O | C1P | H1P | 1.8° | 0.0° |
| C1P | C1Q | C1R | C1S | 1.8° | 0.3° |
| C1P | C1Q | C1R | H1R | 178.2° | 180.0° |
| H1P | C1P | C1Q | C1R | 179.8° | 179.9° |
| C1Q | C1R | C1S | H1R | 180.0° | 179.7° |
| C1Q | C1R | C1S | H1S | 178.3° | 179.7° |
| H1R | C1R | C1S | H1S | 1.7° | 0.0° |
| C1T | C1U | C1V | C1W | 180.0° | 180.0° |
| C1T | C1U | C1V | H1V | 0.0° | 0.0° |
| H1T | C1T | C1U | C1V | 2.1° | 0.0° |
| C1U | C1V | C1W | H1V | 180.0° | 180.0° |
| C1U | C1V | C1W | C1X | 0.4° | 0.0° |
| C1U | C1V | C1W | H1W | 179.6° | 180.0° |
| C1V | C1W | C1X | H1W | 180.0° | 180.0° |
| C1V | C1W | C1X | C1Y | 0.3° | 0.0° |
| C1V | C1W | C1X | H1X | 179.8° | 180.0° |
| H1V | C1V | C1W | C1X | 179.6° | 180.0° |
| H1V | C1V | C1W | H1W | 0.4° | 0.0° |
| C1W | C1X | C1Y | H1X | 180.0° | 180.0° |
| C1W | C1X | C1Y | H1Y | 178.9° | 180.0° |
| H1W | C1W | C1X | C1Y | 179.7° | 180.0° |
| H1W | C1W | C1X | H1X | 0.2° | 0.0° |
| H1X | C1X | C1Y | H1Y | 1.2° | 0.0° |
