DRL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1A | C1I | sing | 1.51Å | 1.53Å | |
| C1I | N1G | doub | 1.30Å | 1.34Å | |
| C1I | N1F | sing | 1.35Å | 1.38Å | |
| N1G | C1J | sing | 1.35Å | 1.35Å | |
| C1J | C1D | sing | 1.50Å | 1.54Å | |
| C1J | C1K | doub | 1.35Å | 1.40Å | |
| C1D | C1C | sing | 1.52Å | 1.53Å | |
| C1C | S1H | sing | 1.82Å | 1.82Å | |
| S1H | C1E | sing | 1.81Å | 1.84Å | |
| C1E | C1K | sing | 1.51Å | 1.54Å | |
| C1K | C1L | sing | 1.42Å | 1.40Å | |
| C1L | O1B | doub | 1.22Å | 1.23Å | |
| C1L | N1F | sing | 1.34Å | 1.38Å | |
| C1A | H1A | sing | 1.09Å | 1.10Å | |
| C1A | H1AA | sing | 1.09Å | 1.10Å | |
| C1A | H1AB | sing | 1.09Å | 1.10Å | |
| C1D | H1D | sing | 1.09Å | 1.10Å | |
| C1D | H1DA | sing | 1.09Å | 1.10Å | |
| C1C | H1C | sing | 1.09Å | 1.10Å | |
| C1C | H1CA | sing | 1.09Å | 1.10Å | |
| C1E | H1E | sing | 1.09Å | 1.10Å | |
| C1E | H1EA | sing | 1.09Å | 1.10Å | |
| N1F | HN1F | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1A | C1I | N1G | 121.2° | 119.5° |
| C1A | C1I | N1F | 120.0° | 119.5° |
| C1I | C1A | H1A | 109.5° | 109.4° |
| C1I | C1A | H1AA | 109.4° | 109.5° |
| C1I | C1A | H1AB | 109.5° | 109.4° |
| N1G | C1I | N1F | 118.8° | 121.1° |
| C1I | N1G | C1J | 123.3° | 123.1° |
| C1I | N1F | C1L | 119.8° | 119.2° |
| C1I | N1F | HN1F | 120.1° | 120.4° |
| N1G | C1J | C1D | 113.1° | 114.6° |
| N1G | C1J | C1K | 120.2° | 118.5° |
| C1D | C1J | C1K | 126.7° | 126.9° |
| C1J | C1D | C1C | 113.2° | 113.5° |
| C1J | C1D | H1D | 108.2° | 108.7° |
| C1J | C1D | H1DA | 107.4° | 108.6° |
| C1J | C1K | C1E | 122.9° | 126.1° |
| C1J | C1K | C1L | 116.8° | 118.6° |
| C1D | C1C | S1H | 108.9° | 107.7° |
| C1C | C1D | H1D | 108.2° | 108.7° |
| C1C | C1D | H1DA | 107.4° | 108.7° |
| C1D | C1C | H1C | 109.7° | 109.8° |
| C1D | C1C | H1CA | 109.8° | 109.8° |
| C1C | S1H | C1E | 98.2° | 100.9° |
| S1H | C1C | H1C | 109.7° | 109.8° |
| S1H | C1C | H1CA | 109.8° | 109.8° |
| S1H | C1E | C1K | 112.2° | 110.3° |
| S1H | C1E | H1E | 108.6° | 109.4° |
| S1H | C1E | H1EA | 107.9° | 109.3° |
| C1E | C1K | C1L | 120.3° | 115.4° |
| C1K | C1E | H1E | 108.6° | 109.3° |
| C1K | C1E | H1EA | 107.9° | 109.3° |
| C1K | C1L | O1B | 121.5° | 120.1° |
| C1K | C1L | N1F | 120.9° | 119.7° |
| O1B | C1L | N1F | 117.6° | 120.2° |
| C1L | N1F | HN1F | 120.1° | 120.4° |
| H1A | C1A | H1AA | 109.5° | 109.5° |
| H1A | C1A | H1AB | 109.4° | 109.5° |
| H1AA | C1A | H1AB | 109.5° | 109.5° |
| H1D | C1D | H1DA | 112.5° | 108.5° |
| H1C | C1C | H1CA | 109.0° | 109.9° |
| H1E | C1E | H1EA | 111.7° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1A | C1I | N1G | N1F | 179.5° | 179.7° |
| C1A | C1I | N1G | C1J | 179.8° | 179.8° |
| C1A | C1I | N1F | C1L | 179.1° | 179.5° |
| C1I | C1A | H1A | H1AA | 120.0° | 120.0° |
| C1I | C1A | H1A | H1AB | 120.0° | 120.0° |
| C1I | C1A | H1AA | H1AB | 120.0° | 120.0° |
| C1A | C1I | N1F | HN1F | 0.9° | 0.7° |
| C1I | N1G | C1J | C1D | 178.7° | 177.8° |
| C1I | N1G | C1J | C1K | 0.4° | 1.2° |
| N1G | C1I | N1F | C1L | 1.3° | 0.2° |
| N1G | C1I | C1A | H1A | 69.0° | 0.0° |
| N1G | C1I | C1A | H1AA | 51.0° | 120.0° |
| N1G | C1I | C1A | H1AB | 171.0° | 120.0° |
| N1G | C1I | N1F | HN1F | 178.6° | 179.6° |
| N1F | C1I | N1G | C1J | 0.7° | 0.1° |
| C1I | N1F | C1L | C1K | 1.7° | 0.6° |
| C1I | N1F | C1L | O1B | 179.4° | 179.7° |
| C1I | N1F | C1L | HN1F | 180.0° | 179.8° |
| N1F | C1I | C1A | H1A | 110.5° | 179.7° |
| N1F | C1I | C1A | H1AA | 129.5° | 60.3° |
| N1F | C1I | C1A | H1AB | 9.5° | 59.7° |
| N1G | C1J | C1D | C1K | 178.2° | 178.9° |
| N1G | C1J | C1D | C1C | 161.9° | 159.1° |
| N1G | C1J | C1K | C1E | 179.7° | 177.7° |
| N1G | C1J | C1K | C1L | 0.6° | 2.0° |
| N1G | C1J | C1D | H1D | 78.1° | 79.8° |
| N1G | C1J | C1D | H1DA | 43.5° | 38.1° |
| C1J | C1D | C1C | H1D | 120.0° | 121.1° |
| C1J | C1D | C1C | H1DA | 118.4° | 121.0° |
| C1J | C1D | C1C | S1H | 53.1° | 52.8° |
| C1D | C1J | C1K | C1E | 1.6° | 3.4° |
| C1D | C1J | C1K | C1L | 178.7° | 176.9° |
| C1J | C1D | H1D | H1DA | 118.5° | 118.0° |
| C1J | C1D | C1C | H1C | 173.1° | 172.4° |
| C1J | C1D | C1C | H1CA | 67.1° | 66.7° |
| C1K | C1J | C1D | C1C | 16.3° | 21.9° |
| C1J | C1K | C1E | S1H | 20.1° | 19.7° |
| C1J | C1K | C1E | C1L | 179.7° | 179.7° |
| C1J | C1K | C1L | O1B | 179.8° | 178.5° |
| C1J | C1K | C1L | N1F | 1.3° | 1.7° |
| C1K | C1J | C1D | H1D | 103.6° | 99.2° |
| C1K | C1J | C1D | H1DA | 134.7° | 143.0° |
| C1J | C1K | C1E | H1E | 140.0° | 139.9° |
| C1J | C1K | C1E | H1EA | 98.8° | 100.6° |
| C1D | C1C | S1H | H1C | 120.0° | 119.6° |
| C1D | C1C | S1H | H1CA | 120.2° | 119.5° |
| C1D | C1C | S1H | C1E | 66.9° | 63.3° |
| C1C | C1D | H1D | H1DA | 118.5° | 118.0° |
| C1D | C1C | H1C | H1CA | 120.2° | 120.8° |
| C1C | S1H | C1E | C1K | 49.4° | 45.6° |
| S1H | C1C | C1D | H1D | 66.9° | 68.3° |
| S1H | C1C | C1D | H1DA | 171.5° | 173.8° |
| S1H | C1C | H1C | H1CA | 120.3° | 120.9° |
| C1C | S1H | C1E | H1E | 169.4° | 165.8° |
| C1C | S1H | C1E | H1EA | 69.4° | 74.7° |
| S1H | C1E | C1K | H1E | 120.0° | 120.3° |
| S1H | C1E | C1K | H1EA | 118.8° | 120.2° |
| S1H | C1E | C1K | C1L | 159.6° | 160.6° |
| C1E | S1H | C1C | H1C | 173.1° | 177.1° |
| C1E | S1H | C1C | H1CA | 53.4° | 56.2° |
| S1H | C1E | H1E | H1EA | 118.9° | 119.6° |
| C1E | C1K | C1L | O1B | 0.1° | 1.7° |
| C1E | C1K | C1L | N1F | 179.0° | 178.0° |
| C1K | C1E | H1E | H1EA | 118.9° | 119.6° |
| C1K | C1L | O1B | N1F | 179.0° | 179.7° |
| C1L | C1K | C1E | H1E | 39.6° | 40.3° |
| C1L | C1K | C1E | H1EA | 81.6° | 79.2° |
| C1K | C1L | N1F | HN1F | 178.3° | 179.6° |
| O1B | C1L | N1F | HN1F | 0.7° | 0.1° |
| H1A | C1A | H1AA | H1AB | 120.0° | 120.1° |
| H1D | C1D | C1C | H1C | 53.2° | 51.3° |
| H1D | C1D | C1C | H1CA | 172.9° | 172.2° |
| H1DA | C1D | C1C | H1C | 68.5° | 66.6° |
| H1DA | C1D | C1C | H1CA | 51.2° | 54.3° |
