GC7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C1 | sing | 1.47Å | 1.49Å | |
N1 | HN11 | sing | 1.01Å | 1.02Å | |
N1 | HN12 | sing | 1.01Å | 1.02Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | H11 | sing | 1.09Å | 1.11Å | |
C1 | H12 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | H21 | sing | 1.09Å | 1.12Å | |
C2 | H22 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.51Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.51Å | |
C4 | H41 | sing | 1.09Å | 1.12Å | |
C4 | H42 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C5 | H51 | sing | 1.09Å | 1.11Å | |
C5 | H52 | sing | 1.09Å | 1.11Å | |
C6 | C7 | sing | 1.53Å | 1.53Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
C7 | N8 | sing | 1.47Å | 1.46Å | |
C7 | H71 | sing | 1.09Å | 1.11Å | |
C7 | H72 | sing | 1.09Å | 1.11Å | |
N8 | C9 | sing | 1.47Å | 1.33Å | |
N8 | HN8 | sing | 1.01Å | 1.02Å | |
C9 | NH1 | sing | 1.47Å | 1.33Å | |
C9 | NH2 | sing | 1.47Å | 1.34Å | |
C9 | H9 | sing | 1.09Å | 1.11Å | |
NH1 | HH11 | sing | 1.01Å | 1.02Å | |
NH1 | HH12 | sing | 1.01Å | 1.02Å | |
NH2 | HH21 | sing | 1.01Å | 1.02Å | |
NH2 | HH22 | sing | 1.01Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | N1 | HN11 | 111.9° | 106.8° |
C1 | N1 | HN12 | 111.3° | 106.7° |
N1 | C1 | C2 | 111.9° | 109.6° |
N1 | C1 | H11 | 111.3° | 109.5° |
N1 | C1 | H12 | 111.3° | 109.4° |
HN11 | N1 | HN12 | 111.4° | 106.7° |
C2 | C1 | H11 | 111.3° | 109.5° |
C2 | C1 | H12 | 111.3° | 109.5° |
C1 | C2 | C3 | 109.7° | 109.5° |
C1 | C2 | H21 | 112.2° | 109.5° |
C1 | C2 | H22 | 112.2° | 109.5° |
H11 | C1 | H12 | 99.1° | 109.4° |
C3 | C2 | H21 | 112.1° | 109.4° |
C3 | C2 | H22 | 112.1° | 109.5° |
C2 | C3 | C4 | 112.1° | 109.5° |
C2 | C3 | H31 | 111.3° | 109.4° |
C2 | C3 | H32 | 111.2° | 109.5° |
H21 | C2 | H22 | 98.2° | 109.5° |
C4 | C3 | H31 | 111.2° | 109.5° |
C4 | C3 | H32 | 111.2° | 109.5° |
C3 | C4 | C5 | 110.9° | 109.5° |
C3 | C4 | H41 | 111.7° | 109.5° |
C3 | C4 | H42 | 111.7° | 109.5° |
H31 | C3 | H32 | 99.2° | 109.5° |
C5 | C4 | H41 | 111.7° | 109.5° |
C5 | C4 | H42 | 111.7° | 109.4° |
C4 | C5 | C6 | 110.6° | 109.5° |
C4 | C5 | H51 | 111.8° | 109.5° |
C4 | C5 | H52 | 111.8° | 109.5° |
H41 | C4 | H42 | 98.6° | 109.5° |
C6 | C5 | H51 | 111.7° | 109.5° |
C6 | C5 | H52 | 111.7° | 109.5° |
C5 | C6 | C7 | 114.0° | 109.5° |
C5 | C6 | H61 | 110.6° | 109.5° |
C5 | C6 | H62 | 110.6° | 109.5° |
H51 | C5 | H52 | 98.7° | 109.5° |
C7 | C6 | H61 | 110.6° | 109.4° |
C7 | C6 | H62 | 110.6° | 109.5° |
C6 | C7 | N8 | 109.2° | 109.5° |
C6 | C7 | H71 | 112.3° | 109.4° |
C6 | C7 | H72 | 112.3° | 109.5° |
H61 | C6 | H62 | 99.6° | 109.5° |
N8 | C7 | H71 | 112.3° | 109.4° |
N8 | C7 | H72 | 112.3° | 109.5° |
C7 | N8 | C9 | 126.3° | 106.8° |
C7 | N8 | HN8 | 106.3° | 106.7° |
H71 | C7 | H72 | 98.1° | 109.4° |
C9 | N8 | HN8 | 106.3° | 106.7° |
N8 | C9 | NH1 | 120.6° | 109.6° |
N8 | C9 | NH2 | 119.9° | 109.5° |
N8 | C9 | H9 | 62.2° | 109.4° |
NH1 | C9 | NH2 | 119.6° | 109.5° |
NH1 | C9 | H9 | 80.7° | 109.5° |
C9 | NH1 | HH11 | 120.5° | 106.7° |
C9 | NH1 | HH12 | 108.2° | 106.7° |
NH2 | C9 | H9 | 129.9° | 109.4° |
C9 | NH2 | HH21 | 119.9° | 106.6° |
C9 | NH2 | HH22 | 108.5° | 106.7° |
HH11 | NH1 | HH12 | 108.3° | 106.8° |
HH21 | NH2 | HH22 | 108.4° | 106.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | N1 | HN11 | HN12 | 125.3° | 113.8° |
N1 | C1 | C2 | H11 | 125.3° | 120.1° |
N1 | C1 | C2 | H12 | 125.2° | 120.0° |
N1 | C1 | H11 | H12 | 117.2° | 119.9° |
N1 | C1 | C2 | C3 | 180.0° | 179.9° |
N1 | C1 | C2 | H21 | 54.7° | 60.0° |
N1 | C1 | C2 | H22 | 54.7° | 60.0° |
HN11 | N1 | C1 | C2 | 180.0° | 180.0° |
HN11 | N1 | C1 | H11 | 54.7° | 59.9° |
HN11 | N1 | C1 | H12 | 54.8° | 60.0° |
HN12 | N1 | C1 | C2 | 54.7° | 66.2° |
HN12 | N1 | C1 | H11 | 179.9° | 53.9° |
HN12 | N1 | C1 | H12 | 70.6° | 173.8° |
C2 | C1 | H11 | H12 | 117.2° | 120.0° |
C1 | C2 | C3 | H21 | 125.3° | 120.0° |
C1 | C2 | C3 | H22 | 125.3° | 120.1° |
C1 | C2 | H21 | H22 | 118.1° | 120.0° |
C1 | C2 | C3 | C4 | 172.6° | 180.0° |
C1 | C2 | C3 | H31 | 47.4° | 60.0° |
C1 | C2 | C3 | H32 | 62.2° | 59.9° |
H11 | C1 | C2 | C3 | 54.7° | 60.0° |
H11 | C1 | C2 | H21 | 180.0° | 180.0° |
H11 | C1 | C2 | H22 | 70.5° | 60.0° |
H12 | C1 | C2 | C3 | 54.8° | 60.0° |
H12 | C1 | C2 | H21 | 70.5° | 60.0° |
H12 | C1 | C2 | H22 | 180.0° | 180.0° |
C3 | C2 | H21 | H22 | 118.0° | 119.9° |
C2 | C3 | C4 | H31 | 125.2° | 120.0° |
C2 | C3 | C4 | H32 | 125.2° | 120.0° |
C2 | C3 | H31 | H32 | 117.2° | 119.9° |
C2 | C3 | C4 | C5 | 177.4° | 179.9° |
C2 | C3 | C4 | H41 | 52.1° | 60.0° |
C2 | C3 | C4 | H42 | 57.4° | 60.0° |
H21 | C2 | C3 | C4 | 62.1° | 60.0° |
H21 | C2 | C3 | H31 | 172.7° | 180.0° |
H21 | C2 | C3 | H32 | 63.1° | 60.1° |
H22 | C2 | C3 | C4 | 47.3° | 59.9° |
H22 | C2 | C3 | H31 | 77.9° | 60.1° |
H22 | C2 | C3 | H32 | 172.5° | 180.0° |
C4 | C3 | H31 | H32 | 117.1° | 120.0° |
C3 | C4 | C5 | H41 | 125.3° | 120.0° |
C3 | C4 | C5 | H42 | 125.3° | 120.0° |
C3 | C4 | H41 | H42 | 117.6° | 120.0° |
C3 | C4 | C5 | C6 | 179.8° | 180.0° |
C3 | C4 | C5 | H51 | 54.9° | 60.0° |
C3 | C4 | C5 | H52 | 54.6° | 60.0° |
H31 | C3 | C4 | C5 | 57.4° | 60.0° |
H31 | C3 | C4 | H41 | 177.3° | 180.0° |
H31 | C3 | C4 | H42 | 67.9° | 60.0° |
H32 | C3 | C4 | C5 | 52.2° | 60.0° |
H32 | C3 | C4 | H41 | 73.1° | 60.0° |
H32 | C3 | C4 | H42 | 177.4° | 180.0° |
C5 | C4 | H41 | H42 | 117.5° | 119.9° |
C4 | C5 | C6 | H51 | 125.3° | 120.0° |
C4 | C5 | C6 | H52 | 125.3° | 120.0° |
C4 | C5 | H51 | H52 | 117.7° | 120.0° |
C4 | C5 | C6 | C7 | 174.0° | 179.9° |
C4 | C5 | C6 | H61 | 48.7° | 60.0° |
C4 | C5 | C6 | H62 | 60.7° | 60.0° |
H41 | C4 | C5 | C6 | 54.5° | 60.0° |
H41 | C4 | C5 | H51 | 179.7° | 180.0° |
H41 | C4 | C5 | H52 | 70.7° | 60.0° |
H42 | C4 | C5 | C6 | 54.9° | 60.0° |
H42 | C4 | C5 | H51 | 70.4° | 60.0° |
H42 | C4 | C5 | H52 | 179.9° | 180.0° |
C6 | C5 | H51 | H52 | 117.7° | 120.0° |
C5 | C6 | C7 | H61 | 125.3° | 120.0° |
C5 | C6 | C7 | H62 | 125.3° | 120.0° |
C5 | C6 | H61 | H62 | 116.4° | 120.0° |
C5 | C6 | C7 | N8 | 179.9° | 180.0° |
C5 | C6 | C7 | H71 | 54.8° | 60.0° |
C5 | C6 | C7 | H72 | 54.7° | 59.9° |
H51 | C5 | C6 | C7 | 60.8° | 60.0° |
H51 | C5 | C6 | H61 | 173.9° | NaN° |
H51 | C5 | C6 | H62 | 64.5° | 60.0° |
H52 | C5 | C6 | C7 | 48.7° | 59.9° |
H52 | C5 | C6 | H61 | 76.6° | 60.0° |
H52 | C5 | C6 | H62 | 174.0° | 180.0° |
C7 | C6 | H61 | H62 | 116.4° | 120.0° |
C6 | C7 | N8 | H71 | 125.3° | 120.0° |
C6 | C7 | N8 | H72 | 125.3° | 120.1° |
C6 | C7 | H71 | H72 | 118.3° | 120.0° |
C6 | C7 | N8 | C9 | 174.7° | 180.0° |
C6 | C7 | N8 | HN8 | 60.0° | 66.2° |
H61 | C6 | C7 | N8 | 54.6° | 60.0° |
H61 | C6 | C7 | H71 | 179.8° | 180.0° |
H61 | C6 | C7 | H72 | 70.6° | 60.1° |
H62 | C6 | C7 | N8 | 54.8° | 59.9° |
H62 | C6 | C7 | H71 | 70.5° | 60.0° |
H62 | C6 | C7 | H72 | 180.0° | 180.0° |
N8 | C7 | H71 | H72 | 118.2° | 120.0° |
C7 | N8 | C9 | HN8 | 125.3° | 113.8° |
C7 | N8 | C9 | NH1 | 0.1° | 150.0° |
C7 | N8 | C9 | NH2 | 179.2° | 90.0° |
C7 | N8 | C9 | H9 | 58.5° | 30.0° |
H71 | C7 | N8 | C9 | 60.0° | 60.0° |
H71 | C7 | N8 | HN8 | 65.2° | 173.8° |
H72 | C7 | N8 | C9 | 49.4° | 59.9° |
H72 | C7 | N8 | HN8 | 174.7° | 53.9° |
N8 | C9 | NH1 | NH2 | 179.3° | 120.1° |
N8 | C9 | NH1 | H9 | 49.8° | 120.0° |
N8 | C9 | NH2 | H9 | 77.3° | 119.9° |
N8 | C9 | NH1 | HH11 | 180.0° | 180.0° |
N8 | C9 | NH1 | HH12 | 54.8° | 66.2° |
N8 | C9 | NH2 | HH21 | 180.0° | 60.1° |
N8 | C9 | NH2 | HH22 | 54.7° | 53.7° |
HN8 | N8 | C9 | NH1 | 125.2° | 36.2° |
HN8 | N8 | C9 | NH2 | 55.5° | 156.3° |
HN8 | N8 | C9 | H9 | 66.7° | 83.8° |
NH1 | C9 | NH2 | H9 | 103.4° | 119.9° |
C9 | NH1 | HH11 | HH12 | 125.2° | 113.8° |
NH1 | C9 | NH2 | HH21 | 0.7° | 60.1° |
NH1 | C9 | NH2 | HH22 | 125.9° | 173.8° |
NH2 | C9 | NH1 | HH11 | 0.7° | 59.9° |
NH2 | C9 | NH1 | HH12 | 124.6° | 173.7° |
C9 | NH2 | HH21 | HH22 | 125.3° | 113.7° |
H9 | C9 | NH1 | HH11 | 130.1° | 60.0° |
H9 | C9 | NH1 | HH12 | 104.6° | 53.8° |
H9 | C9 | NH2 | HH21 | 102.7° | 180.0° |
H9 | C9 | NH2 | HH22 | 22.5° | 66.3° |