Obsolete: LYW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N | sing | 1.47Å | 1.47Å | |
C1 | C | sing | 1.51Å | 1.54Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
N | HN1 | sing | 1.01Å | 1.02Å | |
N | HN2 | sing | 1.01Å | 1.02Å | |
C | O | doub | 1.21Å | 1.23Å | |
C | H | sing | 1.08Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H21 | sing | 1.09Å | 1.11Å | |
C2 | H22 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | H31 | sing | 1.09Å | 1.12Å | |
C3 | H32 | sing | 1.09Å | 1.12Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C4 | H41 | sing | 1.09Å | 1.11Å | |
C4 | H42 | sing | 1.09Å | 1.12Å | |
C5 | H51 | sing | 1.09Å | 1.12Å | |
C5 | H52 | sing | 1.09Å | 1.12Å | |
C5 | H53 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | C1 | C | 113.0° | 109.5° |
N | C1 | C2 | 108.0° | 109.5° |
N | C1 | H1 | 108.1° | 109.5° |
C1 | N | HN1 | 113.0° | 106.7° |
C1 | N | HN2 | 110.9° | 106.7° |
C | C1 | C2 | 109.4° | 109.4° |
C | C1 | H1 | 106.6° | 109.5° |
C1 | C | O | 118.2° | 120.0° |
C1 | C | H | 131.6° | 120.0° |
C2 | C1 | H1 | 111.8° | 109.5° |
C1 | C2 | C3 | 114.8° | 109.4° |
C1 | C2 | H21 | 110.3° | 109.5° |
C1 | C2 | H22 | 110.3° | 109.5° |
HN1 | N | HN2 | 110.9° | 106.6° |
O | C | H | 110.2° | 120.0° |
C3 | C2 | H21 | 110.2° | 109.5° |
C3 | C2 | H22 | 110.2° | 109.4° |
C2 | C3 | C4 | 106.7° | 109.5° |
C2 | C3 | H31 | 113.3° | 109.5° |
C2 | C3 | H32 | 113.3° | 109.4° |
H21 | C2 | H22 | 100.0° | 109.5° |
C4 | C3 | H31 | 113.2° | 109.5° |
C4 | C3 | H32 | 113.2° | 109.4° |
C3 | C4 | C5 | 106.5° | 109.5° |
C3 | C4 | H41 | 113.3° | 109.5° |
C3 | C4 | H42 | 113.3° | 109.4° |
H31 | C3 | H32 | 97.2° | 109.5° |
C5 | C4 | H41 | 113.3° | 109.5° |
C5 | C4 | H42 | 113.3° | 109.5° |
C4 | C5 | H51 | 106.5° | 109.4° |
C4 | C5 | H52 | 113.3° | 109.5° |
C4 | C5 | H53 | 113.3° | 109.4° |
H41 | C4 | H42 | 97.2° | 109.5° |
H51 | C5 | H52 | 113.2° | 109.5° |
H51 | C5 | H53 | 113.3° | 109.4° |
H52 | C5 | H53 | 97.2° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | C1 | C | C2 | 120.3° | 120.0° |
N | C1 | C | H1 | 118.7° | 120.0° |
N | C1 | C2 | H1 | 118.8° | 120.1° |
C1 | N | HN1 | HN2 | 125.2° | 113.8° |
N | C1 | C | O | 86.2° | 0.0° |
N | C1 | C | H | 93.8° | 180.0° |
N | C1 | C2 | C3 | 155.6° | 65.0° |
N | C1 | C2 | H21 | 30.4° | 175.0° |
N | C1 | C2 | H22 | 79.2° | 55.0° |
C | C1 | C2 | H1 | 117.8° | 120.0° |
C | C1 | N | HN1 | 180.0° | 60.0° |
C | C1 | N | HN2 | 54.7° | 173.7° |
C1 | C | O | H | 180.0° | 180.0° |
C | C1 | C2 | C3 | 81.0° | 175.1° |
C | C1 | C2 | H21 | 153.7° | 55.0° |
C | C1 | C2 | H22 | 44.2° | 65.0° |
C2 | C1 | N | HN1 | 58.9° | 60.0° |
C2 | C1 | N | HN2 | 66.4° | 53.8° |
C2 | C1 | C | O | 34.1° | 120.0° |
C2 | C1 | C | H | 145.9° | 60.0° |
C1 | C2 | C3 | H21 | 125.3° | 120.1° |
C1 | C2 | C3 | H22 | 125.3° | 120.0° |
C1 | C2 | H21 | H22 | 116.2° | 120.1° |
C1 | C2 | C3 | C4 | 165.0° | 180.0° |
C1 | C2 | C3 | H31 | 39.7° | 60.0° |
C1 | C2 | C3 | H32 | 69.8° | 60.1° |
H1 | C1 | N | HN1 | 62.2° | 180.0° |
H1 | C1 | N | HN2 | 172.5° | 66.3° |
H1 | C1 | C | O | 155.1° | 120.0° |
H1 | C1 | C | H | 24.9° | 60.0° |
H1 | C1 | C2 | C3 | 36.8° | 55.1° |
H1 | C1 | C2 | H21 | 88.5° | 64.9° |
H1 | C1 | C2 | H22 | 162.0° | 175.0° |
C3 | C2 | H21 | H22 | 116.0° | 119.9° |
C2 | C3 | C4 | H31 | 125.3° | 120.1° |
C2 | C3 | C4 | H32 | 125.3° | 119.9° |
C2 | C3 | H31 | H32 | 119.2° | 120.0° |
C2 | C3 | C4 | C5 | 131.7° | 180.0° |
C2 | C3 | C4 | H41 | 6.4° | 59.9° |
C2 | C3 | C4 | H42 | 103.1° | 60.1° |
H21 | C2 | C3 | C4 | 69.7° | 59.9° |
H21 | C2 | C3 | H31 | 165.0° | 180.0° |
H21 | C2 | C3 | H32 | 55.5° | 60.0° |
H22 | C2 | C3 | C4 | 39.7° | 60.0° |
H22 | C2 | C3 | H31 | 85.5° | 60.0° |
H22 | C2 | C3 | H32 | 165.0° | 179.9° |
C4 | C3 | H31 | H32 | 119.1° | 120.0° |
C3 | C4 | C5 | H41 | 125.3° | 120.1° |
C3 | C4 | C5 | H42 | 125.2° | 119.9° |
C3 | C4 | H41 | H42 | 119.3° | 119.9° |
C3 | C4 | C5 | H51 | 180.0° | 60.1° |
C3 | C4 | C5 | H52 | 54.8° | 60.0° |
C3 | C4 | C5 | H53 | 54.7° | 180.0° |
H31 | C3 | C4 | C5 | 103.0° | 59.9° |
H31 | C3 | C4 | H41 | 131.7° | 180.0° |
H31 | C3 | C4 | H42 | 22.2° | 60.0° |
H32 | C3 | C4 | C5 | 6.4° | 60.1° |
H32 | C3 | C4 | H41 | 118.9° | 60.0° |
H32 | C3 | C4 | H42 | 131.6° | 180.0° |
C5 | C4 | H41 | H42 | 119.2° | 120.0° |
C4 | C5 | H51 | H52 | 125.2° | 120.1° |
C4 | C5 | H51 | H53 | 125.3° | 119.9° |
C4 | C5 | H52 | H53 | 119.3° | 120.0° |
H41 | C4 | C5 | H51 | 54.8° | 59.9° |
H41 | C4 | C5 | H52 | 179.9° | 180.0° |
H41 | C4 | C5 | H53 | 70.5° | 60.0° |
H42 | C4 | C5 | H51 | 54.7° | 180.0° |
H42 | C4 | C5 | H52 | 70.4° | 60.0° |
H42 | C4 | C5 | H53 | 180.0° | 60.1° |
H51 | C5 | H52 | H53 | 119.2° | 120.0° |