SPJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1B | C1C | sing | 1.47Å | 1.47Å | |
| C1C | C1A | sing | 1.53Å | 1.53Å | |
| C1C | C1D | sing | 1.53Å | 1.53Å | |
| C1D | C1E | sing | 1.53Å | 1.53Å | |
| C1E | N1F | sing | 1.47Å | 1.47Å | |
| N1F | C1G | sing | 1.47Å | 1.47Å | |
| C1G | C1H | sing | 1.53Å | 1.53Å | |
| C1H | C1I | sing | 1.53Å | 1.53Å | |
| C1I | C1J | sing | 1.53Å | 1.53Å | |
| C1J | N1K | sing | 1.47Å | 1.47Å | |
| N1K | C1L | sing | 1.47Å | 1.47Å | |
| C1L | C1M | sing | 1.53Å | 1.53Å | |
| C1M | C1N | sing | 1.53Å | 1.53Å | |
| C1N | C1P | sing | 1.53Å | 1.53Å | |
| C1N | N1O | sing | 1.47Å | 1.47Å | |
| N1B | HN1B | sing | 1.01Å | 1.00Å | |
| N1B | HN1A | sing | 1.01Å | 1.00Å | |
| C1C | H1C | sing | 1.09Å | 1.10Å | |
| 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 | |
| C1E | H1E | sing | 1.09Å | 1.10Å | |
| C1E | H1EA | sing | 1.09Å | 1.10Å | |
| N1F | HN1F | sing | 1.01Å | 1.00Å | |
| C1G | H1G | sing | 1.09Å | 1.10Å | |
| C1G | H1GA | sing | 1.09Å | 1.10Å | |
| C1H | H1H | sing | 1.09Å | 1.10Å | |
| C1H | H1HA | sing | 1.09Å | 1.10Å | |
| C1I | H1I | sing | 1.09Å | 1.10Å | |
| C1I | H1IA | sing | 1.09Å | 1.10Å | |
| C1J | H1J | sing | 1.09Å | 1.10Å | |
| C1J | H1JA | sing | 1.09Å | 1.10Å | |
| N1K | HN1K | sing | 1.01Å | 1.00Å | |
| C1L | H1L | sing | 1.09Å | 1.10Å | |
| C1L | H1LA | sing | 1.09Å | 1.10Å | |
| C1M | H1M | sing | 1.09Å | 1.10Å | |
| C1M | H1MA | sing | 1.09Å | 1.10Å | |
| C1N | H1N | sing | 1.09Å | 1.10Å | |
| C1P | H1P | sing | 1.09Å | 1.10Å | |
| C1P | H1PA | sing | 1.09Å | 1.10Å | |
| C1P | H1PB | sing | 1.09Å | 1.10Å | |
| N1O | HN1O | sing | 1.01Å | 1.00Å | |
| N1O | HN1C | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1B | C1C | C1A | 109.9° | 109.5° |
| N1B | C1C | C1D | 109.5° | 109.5° |
| C1C | N1B | HN1B | 109.5° | 111.0° |
| C1C | N1B | HN1A | 109.5° | 111.0° |
| N1B | C1C | H1C | 109.8° | 109.5° |
| C1A | C1C | C1D | 111.1° | 109.5° |
| C1A | C1C | H1C | 108.1° | 109.4° |
| C1C | C1A | H1A | 109.5° | 109.5° |
| C1C | C1A | H1AA | 109.5° | 109.5° |
| C1C | C1A | H1AB | 109.5° | 109.5° |
| C1C | C1D | C1E | 111.4° | 109.5° |
| C1D | C1C | H1C | 108.5° | 109.4° |
| C1C | C1D | H1D | 108.9° | 109.5° |
| C1C | C1D | H1DA | 108.4° | 109.5° |
| C1D | C1E | N1F | 109.2° | 109.5° |
| C1E | C1D | H1D | 108.8° | 109.5° |
| C1E | C1D | H1DA | 108.4° | 109.5° |
| C1D | C1E | H1E | 109.6° | 109.5° |
| C1D | C1E | H1EA | 109.6° | 109.4° |
| C1E | N1F | C1G | 110.2° | 111.0° |
| N1F | C1E | H1E | 109.6° | 109.5° |
| N1F | C1E | H1EA | 109.6° | 109.5° |
| C1E | N1F | HN1F | 109.2° | 111.0° |
| N1F | C1G | C1H | 109.2° | 109.4° |
| C1G | N1F | HN1F | 109.2° | 111.0° |
| N1F | C1G | H1G | 109.5° | 109.5° |
| N1F | C1G | H1GA | 109.6° | 109.4° |
| C1G | C1H | C1I | 111.7° | 109.4° |
| C1H | C1G | H1G | 109.6° | 109.5° |
| C1H | C1G | H1GA | 109.6° | 109.5° |
| C1G | C1H | H1H | 108.7° | 109.5° |
| C1G | C1H | H1HA | 108.2° | 109.5° |
| C1H | C1I | C1J | 110.9° | 109.4° |
| C1I | C1H | H1H | 108.7° | 109.5° |
| C1I | C1H | H1HA | 108.3° | 109.5° |
| C1H | C1I | H1I | 109.0° | 109.4° |
| C1H | C1I | H1IA | 108.7° | 109.5° |
| C1I | C1J | N1K | 109.8° | 109.5° |
| C1J | C1I | H1I | 109.0° | 109.4° |
| C1J | C1I | H1IA | 108.7° | 109.5° |
| C1I | C1J | H1J | 109.3° | 109.5° |
| C1I | C1J | H1JA | 109.3° | 109.5° |
| C1J | N1K | C1L | 109.2° | 111.0° |
| N1K | C1J | H1J | 109.4° | 109.5° |
| N1K | C1J | H1JA | 109.3° | 109.5° |
| C1J | N1K | HN1K | 109.6° | 111.0° |
| N1K | C1L | C1M | 109.7° | 109.5° |
| C1L | N1K | HN1K | 109.6° | 111.0° |
| N1K | C1L | H1L | 109.4° | 109.5° |
| N1K | C1L | H1LA | 109.3° | 109.5° |
| C1L | C1M | C1N | 111.3° | 109.5° |
| C1M | C1L | H1L | 109.4° | 109.4° |
| C1M | C1L | H1LA | 109.3° | 109.4° |
| C1L | C1M | H1M | 108.9° | 109.5° |
| C1L | C1M | H1MA | 108.5° | 109.5° |
| C1M | C1N | C1P | 111.0° | 109.4° |
| C1M | C1N | N1O | 109.3° | 109.5° |
| C1N | C1M | H1M | 108.9° | 109.5° |
| C1N | C1M | H1MA | 108.5° | 109.4° |
| C1M | C1N | H1N | 108.5° | 109.5° |
| C1P | C1N | N1O | 109.4° | 109.5° |
| C1P | C1N | H1N | 108.4° | 109.4° |
| C1N | C1P | H1P | 109.5° | 109.4° |
| C1N | C1P | H1PA | 109.5° | 109.5° |
| C1N | C1P | H1PB | 109.4° | 109.5° |
| N1O | C1N | H1N | 110.2° | 109.5° |
| C1N | N1O | HN1O | 109.5° | 111.0° |
| C1N | N1O | HN1C | 109.4° | 111.1° |
| HN1B | N1B | HN1A | 109.4° | 111.0° |
| H1A | C1A | H1AA | 109.5° | 109.5° |
| H1A | C1A | H1AB | 109.5° | 109.4° |
| H1AA | C1A | H1AB | 109.5° | 109.5° |
| H1D | C1D | H1DA | 111.0° | 109.4° |
| H1E | C1E | H1EA | 109.2° | 109.5° |
| H1G | C1G | H1GA | 109.3° | 109.5° |
| H1H | C1H | H1HA | 111.2° | 109.4° |
| H1I | C1I | H1IA | 110.6° | 109.5° |
| H1J | C1J | H1JA | 109.8° | 109.4° |
| H1L | C1L | H1LA | 109.7° | 109.5° |
| H1M | C1M | H1MA | 110.9° | 109.5° |
| H1P | C1P | H1PA | 109.5° | 109.5° |
| H1P | C1P | H1PB | 109.4° | 109.5° |
| H1PA | C1P | H1PB | 109.5° | 109.5° |
| HN1O | N1O | HN1C | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1B | C1C | C1A | C1D | 121.3° | 120.1° |
| N1B | C1C | C1A | H1C | 119.8° | 120.0° |
| N1B | C1C | C1D | H1C | 119.8° | 120.0° |
| N1B | C1C | C1D | C1E | 54.1° | 65.0° |
| C1C | N1B | HN1B | HN1A | 120.0° | 124.0° |
| N1B | C1C | C1A | H1A | 18.1° | 60.1° |
| N1B | C1C | C1A | H1AA | 138.1° | 60.0° |
| N1B | C1C | C1A | H1AB | 101.9° | 180.0° |
| N1B | C1C | C1D | H1D | 174.1° | 55.0° |
| N1B | C1C | C1D | H1DA | 65.1° | 174.9° |
| C1A | C1C | C1D | H1C | 118.7° | 120.0° |
| C1A | C1C | C1D | C1E | 67.4° | 175.0° |
| C1A | C1C | N1B | HN1B | 175.3° | 176.1° |
| C1A | C1C | N1B | HN1A | 55.3° | 59.9° |
| C1C | C1A | H1A | H1AA | 120.0° | 120.1° |
| C1C | C1A | H1A | H1AB | 120.0° | 120.0° |
| C1C | C1A | H1AA | H1AB | 120.0° | 120.0° |
| C1A | C1C | C1D | H1D | 52.6° | 65.0° |
| C1A | C1C | C1D | H1DA | 173.4° | 54.9° |
| C1C | C1D | C1E | H1D | 120.0° | 120.0° |
| C1C | C1D | C1E | H1DA | 119.2° | 120.0° |
| C1C | C1D | C1E | N1F | 174.7° | 180.0° |
| C1D | C1C | N1B | HN1B | 62.4° | 56.0° |
| C1D | C1C | N1B | HN1A | 177.6° | 180.0° |
| C1D | C1C | C1A | H1A | 139.3° | 60.0° |
| C1D | C1C | C1A | H1AA | 100.7° | 180.0° |
| C1D | C1C | C1A | H1AB | 19.3° | 60.0° |
| C1C | C1D | H1D | H1DA | 119.2° | 120.0° |
| C1C | C1D | C1E | H1E | 65.3° | 60.0° |
| C1C | C1D | C1E | H1EA | 54.6° | 60.0° |
| C1D | C1E | N1F | H1E | 120.0° | 120.0° |
| C1D | C1E | N1F | H1EA | 120.1° | 120.0° |
| C1D | C1E | N1F | C1G | 172.2° | 180.0° |
| C1E | C1D | C1C | H1C | 173.9° | 55.0° |
| C1E | C1D | H1D | H1DA | 119.2° | 120.0° |
| C1D | C1E | H1E | H1EA | 120.1° | 120.0° |
| C1D | C1E | N1F | HN1F | 67.8° | 56.1° |
| C1E | N1F | C1G | HN1F | 120.0° | 124.0° |
| C1E | N1F | C1G | C1H | 167.7° | 180.0° |
| N1F | C1E | C1D | H1D | 54.7° | 60.0° |
| N1F | C1E | C1D | H1DA | 66.1° | 60.0° |
| N1F | C1E | H1E | H1EA | 120.1° | 120.1° |
| C1E | N1F | C1G | H1G | 72.3° | 60.0° |
| C1E | N1F | C1G | H1GA | 47.7° | 60.0° |
| N1F | C1G | C1H | H1G | 120.0° | 120.0° |
| N1F | C1G | C1H | H1GA | 120.1° | 120.0° |
| N1F | C1G | C1H | C1I | 177.4° | 180.0° |
| C1G | N1F | C1E | H1E | 52.1° | 60.0° |
| C1G | N1F | C1E | H1EA | 67.7° | 60.0° |
| N1F | C1G | H1G | H1GA | 120.1° | 120.0° |
| N1F | C1G | C1H | H1H | 62.6° | 60.0° |
| N1F | C1G | C1H | H1HA | 58.3° | 60.0° |
| C1G | C1H | C1I | H1H | 120.0° | 120.0° |
| C1G | C1H | C1I | H1HA | 119.0° | 120.0° |
| C1G | C1H | C1I | C1J | 53.4° | 180.0° |
| C1H | C1G | N1F | HN1F | 47.7° | 56.0° |
| C1H | C1G | H1G | H1GA | 120.1° | 120.0° |
| C1G | C1H | H1H | H1HA | 119.1° | 120.0° |
| C1G | C1H | C1I | H1I | 173.4° | 60.0° |
| C1G | C1H | C1I | H1IA | 66.0° | 60.0° |
| C1H | C1I | C1J | H1I | 120.0° | 119.9° |
| C1H | C1I | C1J | H1IA | 119.4° | 120.0° |
| C1H | C1I | C1J | N1K | 174.5° | 180.0° |
| C1I | C1H | C1G | H1G | 57.4° | 60.0° |
| C1I | C1H | C1G | H1GA | 62.5° | 60.0° |
| C1I | C1H | H1H | H1HA | 119.1° | 120.0° |
| C1H | C1I | H1I | H1IA | 119.4° | 120.0° |
| C1H | C1I | C1J | H1J | 65.5° | 60.0° |
| C1H | C1I | C1J | H1JA | 54.7° | 60.0° |
| C1I | C1J | N1K | H1J | 120.0° | 120.0° |
| C1I | C1J | N1K | H1JA | 119.9° | 120.1° |
| C1I | C1J | N1K | C1L | 82.9° | 180.0° |
| C1J | C1I | C1H | H1H | 66.6° | 60.0° |
| C1J | C1I | C1H | H1HA | 172.4° | 60.0° |
| C1J | C1I | H1I | H1IA | 119.4° | 120.1° |
| C1I | C1J | H1J | H1JA | 119.9° | 120.1° |
| C1I | C1J | N1K | HN1K | 37.2° | 56.0° |
| C1J | N1K | C1L | HN1K | 120.0° | 124.0° |
| C1J | N1K | C1L | C1M | 178.1° | 180.0° |
| N1K | C1J | C1I | H1I | 54.5° | 60.1° |
| N1K | C1J | C1I | H1IA | 66.1° | 60.0° |
| N1K | C1J | H1J | H1JA | 119.9° | 120.0° |
| C1J | N1K | C1L | H1L | 58.1° | 60.0° |
| C1J | N1K | C1L | H1LA | 62.0° | 60.0° |
| N1K | C1L | C1M | H1L | 120.0° | 120.0° |
| N1K | C1L | C1M | H1LA | 119.9° | 120.0° |
| N1K | C1L | C1M | C1N | 56.2° | 180.0° |
| C1L | N1K | C1J | H1J | 157.2° | 60.0° |
| C1L | N1K | C1J | H1JA | 37.0° | 60.0° |
| N1K | C1L | H1L | H1LA | 119.9° | 120.0° |
| N1K | C1L | C1M | H1M | 176.2° | 60.0° |
| N1K | C1L | C1M | H1MA | 63.0° | 60.0° |
| C1L | C1M | C1N | H1M | 120.0° | 120.0° |
| C1L | C1M | C1N | H1MA | 119.2° | 120.0° |
| C1L | C1M | C1N | C1P | 174.4° | 175.0° |
| C1L | C1M | C1N | N1O | 64.8° | 65.0° |
| C1M | C1L | N1K | HN1K | 61.9° | 56.0° |
| C1M | C1L | H1L | H1LA | 119.9° | 120.0° |
| C1L | C1M | H1M | H1MA | 119.2° | 120.0° |
| C1L | C1M | C1N | H1N | 55.4° | 55.0° |
| C1M | C1N | C1P | N1O | 120.8° | 120.0° |
| C1M | C1N | C1P | H1N | 119.1° | 120.0° |
| C1M | C1N | N1O | H1N | 119.1° | 120.0° |
| C1N | C1M | C1L | H1L | 63.8° | 60.0° |
| C1N | C1M | C1L | H1LA | 176.1° | 60.0° |
| C1N | C1M | H1M | H1MA | 119.3° | 120.0° |
| C1M | C1N | C1P | H1P | 175.4° | 60.0° |
| C1M | C1N | C1P | H1PA | 55.4° | 180.0° |
| C1M | C1N | C1P | H1PB | 64.6° | 60.0° |
| C1M | C1N | N1O | HN1O | 11.4° | 176.0° |
| C1M | C1N | N1O | HN1C | 108.6° | 60.0° |
| C1P | C1N | N1O | H1N | 119.1° | 120.0° |
| C1P | C1N | C1M | H1M | 54.4° | 55.0° |
| C1P | C1N | C1M | H1MA | 66.3° | 65.0° |
| C1N | C1P | H1P | H1PA | 120.0° | 120.0° |
| C1N | C1P | H1P | H1PB | 120.0° | 120.0° |
| C1N | C1P | H1PA | H1PB | 120.0° | 120.0° |
| C1P | C1N | N1O | HN1O | 110.4° | 64.0° |
| C1P | C1N | N1O | HN1C | 129.6° | 60.0° |
| N1O | C1N | C1M | H1M | 175.2° | 175.0° |
| N1O | C1N | C1M | H1MA | 54.4° | 54.9° |
| N1O | C1N | C1P | H1P | 63.9° | 60.0° |
| N1O | C1N | C1P | H1PA | 176.1° | 60.0° |
| N1O | C1N | C1P | H1PB | 56.1° | 180.0° |
| C1N | N1O | HN1O | HN1C | 120.0° | 124.0° |
| HN1B | N1B | C1C | H1C | 56.6° | 64.0° |
| HN1A | N1B | C1C | H1C | 63.4° | 60.0° |
| H1C | C1C | C1A | H1A | 101.7° | 179.9° |
| H1C | C1C | C1A | H1AA | 18.3° | 60.0° |
| H1C | C1C | C1A | H1AB | 138.3° | 60.0° |
| H1C | C1C | C1D | H1D | 66.1° | 175.0° |
| H1C | C1C | C1D | H1DA | 54.7° | 65.0° |
| H1A | C1A | H1AA | H1AB | 120.0° | 119.9° |
| H1D | C1D | C1E | H1E | 174.7° | 180.0° |
| H1D | C1D | C1E | H1EA | 65.4° | 60.0° |
| H1DA | C1D | C1E | H1E | 53.9° | 60.1° |
| H1DA | C1D | C1E | H1EA | 173.8° | 180.0° |
| H1E | C1E | N1F | HN1F | 172.2° | 176.1° |
| H1EA | C1E | N1F | HN1F | 52.3° | 63.9° |
| HN1F | N1F | C1G | H1G | 167.7° | 176.0° |
| HN1F | N1F | C1G | H1GA | 72.3° | 64.0° |
| H1G | C1G | C1H | H1H | 177.4° | 180.0° |
| H1G | C1G | C1H | H1HA | 61.7° | 60.0° |
| H1GA | C1G | C1H | H1H | 57.5° | 60.0° |
| H1GA | C1G | C1H | H1HA | 178.4° | 180.0° |
| H1H | C1H | C1I | H1I | 53.4° | 179.9° |
| H1H | C1H | C1I | H1IA | 174.0° | 60.0° |
| H1HA | C1H | C1I | H1I | 67.6° | 60.0° |
| H1HA | C1H | C1I | H1IA | 53.0° | 180.0° |
| H1I | C1I | C1J | H1J | 174.5° | 180.0° |
| H1I | C1I | C1J | H1JA | 65.4° | 60.0° |
| H1IA | C1I | C1J | H1J | 53.9° | 60.0° |
| H1IA | C1I | C1J | H1JA | 174.1° | 180.0° |
| H1J | C1J | N1K | HN1K | 82.8° | 176.0° |
| H1JA | C1J | N1K | HN1K | 157.0° | 64.0° |
| HN1K | N1K | C1L | H1L | 178.1° | 176.0° |
| HN1K | N1K | C1L | H1LA | 58.0° | 64.0° |
| H1L | C1L | C1M | H1M | 56.2° | 180.0° |
| H1L | C1L | C1M | H1MA | 177.0° | 60.0° |
| H1LA | C1L | C1M | H1M | 63.9° | 60.0° |
| H1LA | C1L | C1M | H1MA | 56.9° | 179.9° |
| H1M | C1M | C1N | H1N | 64.6° | 65.0° |
| H1MA | C1M | C1N | H1N | 174.6° | 175.0° |
| H1N | C1N | C1P | H1P | 56.3° | 180.0° |
| H1N | C1N | C1P | H1PA | 63.7° | 60.0° |
| H1N | C1N | C1P | H1PB | 176.3° | 60.0° |
| H1N | C1N | N1O | HN1O | 130.5° | 56.0° |
| H1N | C1N | N1O | HN1C | 10.5° | 180.0° |
| H1P | C1P | H1PA | H1PB | 120.0° | 120.0° |
