LPM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O | doub | 1.21Å | 1.23Å | |
| C1 | N | sing | 1.35Å | 1.32Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| N | HN1 | sing | 0.97Å | 1.02Å | |
| N | HN2 | sing | 0.97Å | 1.02Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | S6 | sing | 1.81Å | 1.81Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| S6 | HS6 | sing | 1.35Å | 0.95Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | S8 | sing | 1.81Å | 1.82Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| S8 | HS8 | sing | 1.35Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C1 | N | 119.6° | 120.0° |
| O | C1 | C2 | 119.8° | 120.0° |
| N | C1 | C2 | 120.6° | 120.1° |
| C1 | N | HN1 | 120.6° | 120.1° |
| C1 | N | HN2 | 119.6° | 120.0° |
| C1 | C2 | C3 | 117.2° | 109.6° |
| C1 | C2 | H21 | 109.4° | 109.4° |
| C1 | C2 | H22 | 109.4° | 109.5° |
| HN1 | N | HN2 | 119.7° | 119.9° |
| C3 | C2 | H21 | 109.4° | 109.4° |
| C3 | C2 | H22 | 109.4° | 109.5° |
| C2 | C3 | C4 | 117.4° | 109.5° |
| C2 | C3 | H31 | 109.4° | 109.4° |
| C2 | C3 | H32 | 109.4° | 109.5° |
| H21 | C2 | H22 | 100.8° | 109.4° |
| C4 | C3 | H31 | 109.3° | 109.4° |
| C4 | C3 | H32 | 109.3° | 109.5° |
| C3 | C4 | C5 | 122.8° | 109.5° |
| C3 | C4 | H41 | 107.5° | 109.4° |
| C3 | C4 | H42 | 107.5° | 109.5° |
| H31 | C3 | H32 | 100.7° | 109.4° |
| C5 | C4 | H41 | 107.5° | 109.4° |
| C5 | C4 | H42 | 107.4° | 109.5° |
| C4 | C5 | C6 | 114.4° | 109.5° |
| C4 | C5 | H51 | 110.4° | 109.4° |
| C4 | C5 | H52 | 110.4° | 109.5° |
| H41 | C4 | H42 | 102.3° | 109.4° |
| C6 | C5 | H51 | 110.4° | 109.4° |
| C6 | C5 | H52 | 110.4° | 109.5° |
| C5 | C6 | S6 | 111.6° | 109.5° |
| C5 | C6 | C7 | 114.0° | 109.5° |
| C5 | C6 | H6 | 104.6° | 109.4° |
| H51 | C5 | H52 | 99.9° | 109.4° |
| S6 | C6 | C7 | 109.0° | 109.5° |
| S6 | C6 | H6 | 110.0° | 109.4° |
| C6 | S6 | HS6 | 111.6° | 100.0° |
| C7 | C6 | H6 | 107.4° | 109.4° |
| C6 | C7 | C8 | 110.0° | 109.5° |
| C6 | C7 | H71 | 112.0° | 109.4° |
| C6 | C7 | H72 | 112.0° | 109.5° |
| C8 | C7 | H71 | 112.0° | 109.4° |
| C8 | C7 | H72 | 112.0° | 109.5° |
| C7 | C8 | S8 | 113.6° | 109.5° |
| C7 | C8 | H81 | 110.7° | 109.4° |
| C7 | C8 | H82 | 110.7° | 109.5° |
| H71 | C7 | H72 | 98.4° | 109.4° |
| S8 | C8 | H81 | 110.7° | 109.4° |
| S8 | C8 | H82 | 110.7° | 109.5° |
| C8 | S8 | HS8 | 113.6° | 100.0° |
| H81 | C8 | H82 | 99.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C1 | N | C2 | 177.6° | 180.0° |
| O | C1 | N | HN1 | 2.5° | 0.0° |
| O | C1 | N | HN2 | 179.9° | 179.7° |
| O | C1 | C2 | C3 | 125.8° | 0.1° |
| O | C1 | C2 | H21 | 0.6° | 120.0° |
| O | C1 | C2 | H22 | 109.0° | 120.1° |
| C1 | N | HN1 | HN2 | 177.5° | 179.7° |
| N | C1 | C2 | C3 | 56.6° | 180.0° |
| N | C1 | C2 | H21 | 178.2° | 60.0° |
| N | C1 | C2 | H22 | 68.6° | 59.9° |
| C2 | C1 | N | HN1 | 180.0° | 180.0° |
| C2 | C1 | N | HN2 | 2.5° | 0.3° |
| C1 | C2 | C3 | H21 | 125.2° | 120.0° |
| C1 | C2 | C3 | H22 | 125.2° | 120.1° |
| C1 | C2 | H21 | H22 | 115.2° | 120.0° |
| C1 | C2 | C3 | C4 | 74.8° | 180.0° |
| C1 | C2 | C3 | H31 | 50.5° | 60.0° |
| C1 | C2 | C3 | H32 | 159.9° | 59.9° |
| C3 | C2 | H21 | H22 | 115.2° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 119.9° |
| C2 | C3 | C4 | H32 | 125.3° | 120.1° |
| C2 | C3 | H31 | H32 | 115.1° | 120.0° |
| C2 | C3 | C4 | C5 | 93.6° | 180.0° |
| C2 | C3 | C4 | H41 | 31.7° | 60.1° |
| C2 | C3 | C4 | H42 | 141.1° | 59.9° |
| H21 | C2 | C3 | C4 | 160.0° | 60.1° |
| H21 | C2 | C3 | H31 | 74.8° | 180.0° |
| H21 | C2 | C3 | H32 | 34.7° | 60.1° |
| H22 | C2 | C3 | C4 | 50.4° | 59.8° |
| H22 | C2 | C3 | H31 | 175.7° | 60.1° |
| H22 | C2 | C3 | H32 | 74.8° | 180.0° |
| C4 | C3 | H31 | H32 | 115.0° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 119.9° |
| C3 | C4 | C5 | H42 | 125.3° | 120.1° |
| C3 | C4 | H41 | H42 | 113.0° | 120.0° |
| C3 | C4 | C5 | C6 | 128.9° | 179.9° |
| C3 | C4 | C5 | H51 | 3.7° | 60.1° |
| C3 | C4 | C5 | H52 | 105.9° | 59.9° |
| H31 | C3 | C4 | C5 | 141.1° | 60.1° |
| H31 | C3 | C4 | H41 | 93.6° | 180.0° |
| H31 | C3 | C4 | H42 | 15.9° | 60.0° |
| H32 | C3 | C4 | C5 | 31.7° | 59.9° |
| H32 | C3 | C4 | H41 | 157.0° | 60.0° |
| H32 | C3 | C4 | H42 | 93.6° | 180.0° |
| C5 | C4 | H41 | H42 | 113.0° | 120.0° |
| C4 | C5 | C6 | H51 | 125.2° | 119.9° |
| C4 | C5 | C6 | H52 | 125.3° | 120.1° |
| C4 | C5 | H51 | H52 | 116.3° | 120.0° |
| C4 | C5 | C6 | S6 | 34.2° | 59.9° |
| C4 | C5 | C6 | C7 | 89.8° | 180.0° |
| C4 | C5 | C6 | H6 | 153.1° | 60.0° |
| H41 | C4 | C5 | C6 | 105.8° | 60.0° |
| H41 | C4 | C5 | H51 | 129.0° | NaN° |
| H41 | C4 | C5 | H52 | 19.4° | 60.1° |
| H42 | C4 | C5 | C6 | 3.6° | 59.9° |
| H42 | C4 | C5 | H51 | 121.6° | 60.0° |
| H42 | C4 | C5 | H52 | 128.9° | 180.0° |
| C6 | C5 | H51 | H52 | 116.2° | 120.0° |
| C5 | C6 | S6 | C7 | 126.8° | 120.1° |
| C5 | C6 | S6 | H6 | 115.7° | 120.0° |
| C5 | C6 | C7 | H6 | 115.4° | 120.0° |
| C5 | C6 | S6 | HS6 | 180.0° | 60.0° |
| C5 | C6 | C7 | C8 | 172.9° | 180.0° |
| C5 | C6 | C7 | H71 | 47.7° | 60.0° |
| C5 | C6 | C7 | H72 | 61.9° | 59.9° |
| H51 | C5 | C6 | S6 | 159.4° | 60.0° |
| H51 | C5 | C6 | C7 | 35.4° | 60.0° |
| H51 | C5 | C6 | H6 | 81.6° | 180.0° |
| H52 | C5 | C6 | S6 | 91.1° | 180.0° |
| H52 | C5 | C6 | C7 | 144.9° | 59.9° |
| H52 | C5 | C6 | H6 | 27.9° | 60.1° |
| S6 | C6 | C7 | H6 | 119.2° | 120.0° |
| S6 | C6 | C7 | C8 | 47.5° | 59.9° |
| S6 | C6 | C7 | H71 | 77.7° | 60.0° |
| S6 | C6 | C7 | H72 | 172.7° | 180.0° |
| C7 | C6 | S6 | HS6 | 53.2° | 60.0° |
| C6 | C7 | C8 | H71 | 125.2° | 120.0° |
| C6 | C7 | C8 | H72 | 125.3° | 120.1° |
| C6 | C7 | H71 | H72 | 118.0° | 120.0° |
| C6 | C7 | C8 | S8 | 162.3° | 180.0° |
| C6 | C7 | C8 | H81 | 37.0° | 60.0° |
| C6 | C7 | C8 | H82 | 72.4° | 60.0° |
| H6 | C6 | S6 | HS6 | 64.3° | 180.0° |
| H6 | C6 | C7 | C8 | 71.7° | 60.0° |
| H6 | C6 | C7 | H71 | 163.1° | 180.0° |
| H6 | C6 | C7 | H72 | 53.6° | 60.1° |
| C8 | C7 | H71 | H72 | 117.9° | 120.0° |
| C7 | C8 | S8 | H81 | 125.3° | 120.0° |
| C7 | C8 | S8 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H82 | 116.5° | 120.0° |
| C7 | C8 | S8 | HS8 | 180.0° | 180.0° |
| H71 | C7 | C8 | S8 | 72.5° | 60.0° |
| H71 | C7 | C8 | H81 | 162.2° | 180.0° |
| H71 | C7 | C8 | H82 | 52.8° | 60.0° |
| H72 | C7 | C8 | S8 | 37.0° | 59.9° |
| H72 | C7 | C8 | H81 | 88.3° | 60.0° |
| H72 | C7 | C8 | H82 | 162.3° | 180.0° |
| S8 | C8 | H81 | H82 | 116.5° | 120.0° |
| H81 | C8 | S8 | HS8 | 54.7° | 60.1° |
| H82 | C8 | S8 | HS8 | 54.7° | 59.9° |
