SAZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.57Å | |
| C01 | C03 | sing | 1.53Å | 1.59Å | |
| C01 | N35 | sing | 1.47Å | 1.45Å | |
| C01 | H01 | sing | 1.09Å | 1.11Å | |
| C02 | C05 | sing | 1.50Å | 1.55Å | |
| C02 | H021 | sing | 1.09Å | 1.12Å | |
| C02 | H022 | sing | 1.09Å | 1.12Å | |
| C03 | C07 | sing | 1.53Å | 1.53Å | |
| C03 | H031 | sing | 1.09Å | 1.12Å | |
| C03 | H032 | sing | 1.09Å | 1.12Å | |
| C05 | C25 | doub | 1.29Å | 1.52Å | |
| C05 | H05 | sing | 1.08Å | 1.10Å | |
| C07 | C25 | sing | 1.50Å | 1.36Å | |
| C07 | H071 | sing | 1.09Å | 1.12Å | |
| C07 | H072 | sing | 1.09Å | 1.11Å | |
| C08 | C09 | sing | 1.51Å | 1.51Å | |
| C08 | C13 | doub | 1.31Å | 1.34Å | |
| C08 | H08 | sing | 1.08Å | 1.10Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C09 | H091 | sing | 1.09Å | 1.11Å | |
| C09 | H092 | sing | 1.09Å | 1.12Å | |
| C10 | N35 | sing | 1.47Å | 1.46Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C13 | C16 | sing | 1.51Å | 1.52Å | |
| C13 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C17 | H173 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C26 | H263 | sing | 1.09Å | 1.12Å | |
| N35 | C36 | sing | 1.47Å | 1.48Å | |
| N35 | H35 | sing | 1.01Å | 1.02Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C36 | H363 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C03 | 109.0° | 108.6° |
| C02 | C01 | N35 | 109.0° | 109.7° |
| C02 | C01 | H01 | 111.9° | 109.7° |
| C01 | C02 | C05 | 115.3° | 110.1° |
| C01 | C02 | H021 | 110.1° | 109.7° |
| C01 | C02 | H022 | 110.1° | 109.0° |
| C03 | C01 | N35 | 114.5° | 109.6° |
| C03 | C01 | H01 | 106.2° | 109.6° |
| C01 | C03 | C07 | 116.9° | 108.4° |
| C01 | C03 | H031 | 109.5° | 109.6° |
| C01 | C03 | H032 | 109.6° | 109.7° |
| N35 | C01 | H01 | 106.2° | 109.6° |
| C01 | N35 | C10 | 118.2° | 109.5° |
| C01 | N35 | C36 | 116.7° | 109.5° |
| C01 | N35 | H35 | 95.6° | 109.5° |
| C05 | C02 | H021 | 110.1° | 109.4° |
| C05 | C02 | H022 | 110.1° | 109.4° |
| C02 | C05 | C25 | 112.7° | 124.2° |
| C02 | C05 | H05 | 124.5° | 117.9° |
| H021 | C02 | H022 | 100.1° | 109.2° |
| C07 | C03 | H031 | 109.5° | 109.7° |
| C07 | C03 | H032 | 109.5° | 109.6° |
| C03 | C07 | C25 | 124.2° | 110.1° |
| C03 | C07 | H071 | 107.0° | 109.3° |
| C03 | C07 | H072 | 107.0° | 109.4° |
| H031 | C03 | H032 | 100.6° | 109.8° |
| C25 | C05 | H05 | 122.8° | 117.9° |
| C05 | C25 | C07 | 121.7° | 124.0° |
| C05 | C25 | C26 | 115.9° | 118.0° |
| C25 | C07 | H071 | 107.0° | 109.3° |
| C25 | C07 | H072 | 107.0° | 109.4° |
| C07 | C25 | C26 | 122.4° | 117.9° |
| H071 | C07 | H072 | 102.7° | 109.3° |
| C09 | C08 | C13 | 128.9° | 120.0° |
| C09 | C08 | H08 | 122.3° | 120.1° |
| C08 | C09 | C10 | 114.3° | 109.5° |
| C08 | C09 | H091 | 110.5° | 109.5° |
| C08 | C09 | H092 | 110.5° | 109.4° |
| C13 | C08 | H08 | 108.8° | 120.0° |
| C08 | C13 | C16 | 126.1° | 120.0° |
| C08 | C13 | C17 | 119.9° | 120.0° |
| C10 | C09 | H091 | 110.5° | 109.5° |
| C10 | C09 | H092 | 110.4° | 109.5° |
| C09 | C10 | N35 | 118.3° | 109.5° |
| C09 | C10 | H101 | 109.1° | 109.5° |
| C09 | C10 | H102 | 109.0° | 109.4° |
| H091 | C09 | H092 | 99.8° | 109.5° |
| N35 | C10 | H101 | 109.0° | 109.5° |
| N35 | C10 | H102 | 109.0° | 109.5° |
| C10 | N35 | C36 | 105.6° | 109.5° |
| C10 | N35 | H35 | 109.2° | 109.5° |
| H101 | C10 | H102 | 101.1° | 109.5° |
| C16 | C13 | C17 | 114.0° | 120.0° |
| C13 | C16 | H161 | 106.4° | 109.5° |
| C13 | C16 | H162 | 126.1° | 109.5° |
| C13 | C16 | H163 | 106.3° | 109.5° |
| C13 | C17 | H171 | 108.4° | 109.5° |
| C13 | C17 | H172 | 119.9° | 109.5° |
| C13 | C17 | H173 | 108.5° | 109.5° |
| H161 | C16 | H162 | 106.4° | 109.4° |
| H161 | C16 | H163 | 103.1° | 109.5° |
| H162 | C16 | H163 | 106.4° | 109.5° |
| H171 | C17 | H172 | 108.5° | 109.4° |
| H171 | C17 | H173 | 101.5° | 109.5° |
| H172 | C17 | H173 | 108.4° | 109.4° |
| C25 | C26 | H261 | 109.9° | 109.5° |
| C25 | C26 | H262 | 115.9° | 109.4° |
| C25 | C26 | H263 | 109.9° | 109.5° |
| H261 | C26 | H262 | 109.9° | 109.5° |
| H261 | C26 | H263 | 100.3° | 109.5° |
| H262 | C26 | H263 | 109.9° | 109.5° |
| C36 | N35 | H35 | 111.0° | 109.4° |
| N35 | C36 | H361 | 109.6° | 109.5° |
| N35 | C36 | H362 | 116.7° | 109.5° |
| N35 | C36 | H363 | 109.6° | 109.5° |
| H361 | C36 | H362 | 109.6° | 109.5° |
| H361 | C36 | H363 | 100.6° | 109.5° |
| H362 | C36 | H363 | 109.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C03 | N35 | 122.4° | 119.8° |
| C02 | C01 | C03 | H01 | 120.7° | 119.8° |
| C02 | C01 | N35 | H01 | 120.8° | 120.4° |
| C01 | C02 | C05 | H021 | 125.3° | 120.6° |
| C01 | C02 | C05 | H022 | 125.3° | 119.8° |
| C01 | C02 | H021 | H022 | 115.9° | 119.4° |
| C02 | C01 | C03 | C07 | 29.3° | 67.3° |
| C02 | C01 | C03 | H031 | 95.9° | 52.4° |
| C02 | C01 | C03 | H032 | 154.6° | 173.0° |
| C01 | C02 | C05 | C25 | 47.3° | 16.7° |
| C01 | C02 | C05 | H05 | 132.7° | 163.1° |
| C02 | C01 | N35 | C10 | 160.2° | 176.1° |
| C02 | C01 | N35 | C36 | 72.1° | 63.9° |
| C02 | C01 | N35 | H35 | 44.9° | 56.0° |
| C03 | C01 | N35 | H01 | 116.8° | 120.4° |
| C03 | C01 | C02 | C05 | 50.8° | 49.1° |
| C03 | C01 | C02 | H021 | 176.1° | 169.6° |
| C03 | C01 | C02 | H022 | 74.4° | 70.9° |
| C01 | C03 | C07 | H031 | 125.3° | 119.7° |
| C01 | C03 | C07 | H032 | 125.3° | 119.7° |
| C01 | C03 | H031 | H032 | 115.3° | 120.6° |
| C01 | C03 | C07 | C25 | 5.2° | 49.5° |
| C01 | C03 | C07 | H071 | 130.4° | 169.6° |
| C01 | C03 | C07 | H072 | 120.1° | 70.8° |
| C03 | C01 | N35 | C10 | 37.8° | 56.9° |
| C03 | C01 | N35 | C36 | 165.5° | 176.9° |
| C03 | C01 | N35 | H35 | 77.5° | 63.1° |
| N35 | C01 | C02 | C05 | 74.8° | 168.9° |
| N35 | C01 | C02 | H021 | 50.5° | 70.6° |
| N35 | C01 | C02 | H022 | 159.9° | 48.9° |
| N35 | C01 | C03 | C07 | 93.1° | 172.9° |
| N35 | C01 | C03 | H031 | 141.7° | 67.4° |
| N35 | C01 | C03 | H032 | 32.2° | 53.2° |
| C01 | N35 | C10 | C09 | 124.6° | 176.4° |
| C01 | N35 | C10 | C36 | 132.8° | 120.0° |
| C01 | N35 | C10 | H35 | 107.8° | 120.0° |
| C01 | N35 | C10 | H101 | 110.1° | 63.5° |
| C01 | N35 | C10 | H102 | 0.6° | 56.5° |
| C01 | N35 | C36 | H35 | 108.1° | 120.0° |
| C01 | N35 | C36 | H361 | 54.7° | 180.0° |
| C01 | N35 | C36 | H362 | 180.0° | 60.0° |
| C01 | N35 | C36 | H363 | 54.7° | 60.0° |
| H01 | C01 | C02 | C05 | 168.0° | 70.7° |
| H01 | C01 | C02 | H021 | 66.7° | 49.8° |
| H01 | C01 | C02 | H022 | 42.7° | 169.3° |
| H01 | C01 | C03 | C07 | 150.1° | 52.5° |
| H01 | C01 | C03 | H031 | 24.8° | 172.2° |
| H01 | C01 | C03 | H032 | 84.7° | 67.2° |
| H01 | C01 | N35 | C10 | 79.0° | 63.5° |
| H01 | C01 | N35 | C36 | 48.7° | 56.5° |
| H01 | C01 | N35 | H35 | 165.6° | 176.5° |
| C05 | C02 | H021 | H022 | 115.9° | 119.7° |
| C02 | C05 | C25 | H05 | 180.0° | 179.8° |
| C02 | C05 | C25 | C07 | 20.5° | 0.3° |
| C02 | C05 | C25 | C26 | 159.3° | 179.8° |
| H021 | C02 | C05 | C25 | 172.6° | 137.4° |
| H021 | C02 | C05 | H05 | 7.4° | 42.5° |
| H022 | C02 | C05 | C25 | 78.0° | 103.1° |
| H022 | C02 | C05 | H05 | 102.0° | 77.1° |
| C07 | C03 | H031 | H032 | 115.3° | 120.5° |
| C03 | C07 | C25 | C05 | 0.0° | 17.2° |
| C03 | C07 | C25 | H071 | 125.2° | 120.1° |
| C03 | C07 | C25 | H072 | 125.3° | 120.2° |
| C03 | C07 | H071 | H072 | 112.5° | 119.7° |
| C03 | C07 | C25 | C26 | 179.8° | 162.9° |
| H031 | C03 | C07 | C25 | 120.1° | 70.2° |
| H031 | C03 | C07 | H071 | 5.2° | 49.9° |
| H031 | C03 | C07 | H072 | 114.7° | 169.5° |
| H032 | C03 | C07 | C25 | 130.5° | 169.2° |
| H032 | C03 | C07 | H071 | 104.3° | 70.7° |
| H032 | C03 | C07 | H072 | 5.2° | 48.9° |
| C05 | C25 | C07 | C26 | 179.8° | 179.9° |
| C05 | C25 | C07 | H071 | 125.3° | 137.3° |
| C05 | C25 | C07 | H072 | 125.2° | 103.0° |
| C05 | C25 | C26 | H261 | 54.7° | 90.0° |
| C05 | C25 | C26 | H262 | 180.0° | 30.0° |
| C05 | C25 | C26 | H263 | 54.7° | 150.0° |
| H05 | C05 | C25 | C07 | 159.4° | 179.5° |
| H05 | C05 | C25 | C26 | 20.7° | 0.4° |
| C25 | C07 | H071 | H072 | 112.5° | 119.7° |
| C07 | C25 | C26 | H261 | 125.4° | 90.0° |
| C07 | C25 | C26 | H262 | 0.1° | 150.1° |
| C07 | C25 | C26 | H263 | 125.1° | 30.1° |
| H071 | C07 | C25 | C26 | 54.6° | 42.7° |
| H072 | C07 | C25 | C26 | 54.9° | 76.9° |
| C09 | C08 | C13 | H08 | 180.0° | 180.0° |
| C08 | C09 | C10 | H091 | 125.3° | 120.0° |
| C08 | C09 | C10 | H092 | 125.3° | 119.9° |
| C08 | C09 | H091 | H092 | 116.3° | 120.0° |
| C08 | C09 | C10 | N35 | 40.7° | 180.0° |
| C08 | C09 | C10 | H101 | 166.0° | 60.0° |
| C08 | C09 | C10 | H102 | 84.5° | 60.0° |
| C09 | C08 | C13 | C16 | 0.1° | 3.8° |
| C09 | C08 | C13 | C17 | 179.7° | 176.2° |
| C13 | C08 | C09 | C10 | 121.3° | 127.2° |
| C13 | C08 | C09 | H091 | 4.0° | 7.2° |
| C13 | C08 | C09 | H092 | 113.5° | 112.8° |
| C08 | C13 | C16 | C17 | 179.8° | 180.0° |
| C08 | C13 | C16 | H161 | 54.7° | 5.2° |
| C08 | C13 | C16 | H162 | 180.0° | 125.2° |
| C08 | C13 | C16 | H163 | 54.7° | 114.8° |
| C08 | C13 | C17 | H171 | 54.7° | 0.1° |
| C08 | C13 | C17 | H172 | 180.0° | 120.0° |
| C08 | C13 | C17 | H173 | 54.7° | 120.0° |
| H08 | C08 | C09 | C10 | 58.7° | 52.8° |
| H08 | C08 | C09 | H091 | 176.0° | 172.8° |
| H08 | C08 | C09 | H092 | 66.5° | 67.2° |
| H08 | C08 | C13 | C16 | 180.0° | 176.2° |
| H08 | C08 | C13 | C17 | 0.3° | 3.8° |
| C10 | C09 | H091 | H092 | 116.3° | 120.0° |
| C09 | C10 | N35 | H101 | 125.3° | 120.0° |
| C09 | C10 | N35 | H102 | 125.3° | 119.9° |
| C09 | C10 | H101 | H102 | 114.8° | 120.0° |
| C09 | C10 | N35 | C36 | 102.6° | 63.5° |
| C09 | C10 | N35 | H35 | 16.9° | 56.4° |
| H091 | C09 | C10 | N35 | 84.6° | 60.0° |
| H091 | C09 | C10 | H101 | 40.7° | NaN° |
| H091 | C09 | C10 | H102 | 150.2° | 60.0° |
| H092 | C09 | C10 | N35 | 166.0° | 60.0° |
| H092 | C09 | C10 | H101 | 68.8° | 60.0° |
| H092 | C09 | C10 | H102 | 40.7° | 180.0° |
| N35 | C10 | H101 | H102 | 114.8° | 120.0° |
| C10 | N35 | C36 | H35 | 118.2° | 120.0° |
| C10 | N35 | C36 | H361 | 78.9° | 60.0° |
| C10 | N35 | C36 | H362 | 46.4° | 180.0° |
| C10 | N35 | C36 | H363 | 171.6° | 60.0° |
| H101 | C10 | N35 | C36 | 22.7° | 56.5° |
| H101 | C10 | N35 | H35 | 142.1° | 176.4° |
| H102 | C10 | N35 | C36 | 132.2° | 176.5° |
| H102 | C10 | N35 | H35 | 108.4° | 63.5° |
| C13 | C16 | H161 | H162 | 136.6° | 120.0° |
| C13 | C16 | H161 | H163 | 111.7° | 120.0° |
| C13 | C16 | H162 | H163 | 125.3° | 120.0° |
| C16 | C13 | C17 | H171 | 125.5° | 180.0° |
| C16 | C13 | C17 | H172 | 0.2° | 60.0° |
| C16 | C13 | C17 | H173 | 125.1° | 60.0° |
| C17 | C13 | C16 | H161 | 125.1° | 174.7° |
| C17 | C13 | C16 | H162 | 0.2° | 54.8° |
| C17 | C13 | C16 | H163 | 125.5° | 65.2° |
| C13 | C17 | H171 | H172 | 131.8° | 120.0° |
| C13 | C17 | H171 | H173 | 114.1° | 120.1° |
| C13 | C17 | H172 | H173 | 125.2° | 120.0° |
| H161 | C16 | H162 | H163 | 109.5° | 120.0° |
| H171 | C17 | H172 | H173 | 109.5° | 120.0° |
| C25 | C26 | H261 | H262 | 128.6° | 119.9° |
| C25 | C26 | H261 | H263 | 115.7° | 120.0° |
| C25 | C26 | H262 | H263 | 125.2° | 120.0° |
| H261 | C26 | H262 | H263 | 109.5° | 120.1° |
| N35 | C36 | H361 | H362 | 129.3° | 120.0° |
| N35 | C36 | H361 | H363 | 115.3° | 120.0° |
| N35 | C36 | H362 | H363 | 125.3° | 119.9° |
| H35 | N35 | C36 | H361 | 162.9° | 60.0° |
| H35 | N35 | C36 | H362 | 71.9° | 60.1° |
| H35 | N35 | C36 | H363 | 53.4° | 180.0° |
| H361 | C36 | H362 | H363 | 109.4° | 120.1° |
