HGT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C10 | sing | 0.00Å | 1.44Å | |
O2 | HO2 | sing | 0.00Å | 0.95Å | |
C10 | C23 | sing | 0.00Å | 1.54Å | |
C10 | C2 | sing | 0.00Å | 1.51Å | |
C10 | H10 | sing | 0.00Å | 1.10Å | |
C23 | O4 | sing | 0.00Å | 1.44Å | |
C23 | C25 | sing | 0.00Å | 1.54Å | |
C23 | H23 | sing | 0.00Å | 1.10Å | |
O4 | HO4 | sing | 0.00Å | 0.95Å | |
C25 | N2 | sing | 0.00Å | 1.39Å | |
C25 | C24 | sing | 0.00Å | 1.54Å | |
C25 | H25 | sing | 0.00Å | 1.10Å | |
N2 | HN21 | sing | 0.00Å | 1.00Å | |
N2 | HN22 | sing | 0.00Å | 1.00Å | |
C2 | C26 | sing | 0.00Å | 1.53Å | |
C2 | O1 | sing | 0.00Å | 1.44Å | |
C2 | H2 | sing | 0.00Å | 1.10Å | |
C26 | O5 | sing | 0.00Å | 1.43Å | |
C26 | H261 | sing | 0.00Å | 1.10Å | |
C26 | H262 | sing | 0.00Å | 1.10Å | |
O5 | HO5 | sing | 0.00Å | 0.95Å | |
O1 | C24 | sing | 0.00Å | 1.44Å | |
C24 | N1 | sing | 0.00Å | 1.47Å | |
C24 | H24 | sing | 0.00Å | 1.10Å | |
N1 | C22 | sing | 0.00Å | 1.45Å | |
N1 | HN1 | sing | 0.00Å | 1.00Å | |
C22 | C21 | sing | 0.00Å | 1.51Å | |
C22 | H221 | sing | 0.00Å | 1.10Å | |
C22 | H222 | sing | 0.00Å | 1.10Å | |
C21 | O3 | sing | 0.00Å | 1.42Å | |
C21 | H211 | sing | 0.00Å | 1.10Å | |
C21 | H212 | sing | 0.00Å | 1.10Å | |
O3 | SNN | sing | 0.00Å | 2.06Å | |
SNN | O36 | sing | 0.00Å | 2.04Å | |
SNN | O35 | sing | 0.00Å | 2.04Å | |
SNN | O34 | sing | 0.00Å | 2.01Å | |
O36 | H36 | sing | 0.00Å | 0.95Å | |
O35 | H35 | sing | 0.00Å | 0.95Å | |
O34 | H34 | sing | 0.00Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C10 | O2 | HO2 | 109.5° | 90.0° |
O2 | C10 | C23 | 111.5° | 90.0° |
O2 | C10 | C2 | 107.0° | 90.0° |
O2 | C10 | H10 | 110.9° | 90.0° |
C23 | C10 | C2 | 112.6° | 90.0° |
C23 | C10 | H10 | 105.1° | 90.0° |
C10 | C23 | O4 | 109.8° | 90.0° |
C10 | C23 | C25 | 113.2° | 90.0° |
C10 | C23 | H23 | 106.9° | 90.0° |
C2 | C10 | H10 | 109.7° | 90.0° |
C10 | C2 | C26 | 110.8° | 90.0° |
C10 | C2 | O1 | 110.2° | 90.0° |
C10 | C2 | H2 | 109.3° | 90.0° |
O4 | C23 | C25 | 109.9° | 90.0° |
O4 | C23 | H23 | 110.3° | 90.0° |
C23 | O4 | HO4 | 109.5° | 90.0° |
C25 | C23 | H23 | 106.7° | 90.0° |
C23 | C25 | N2 | 107.5° | 90.0° |
C23 | C25 | C24 | 112.4° | 90.0° |
C23 | C25 | H25 | 109.3° | 90.0° |
N2 | C25 | C24 | 110.7° | 90.0° |
N2 | C25 | H25 | 111.0° | 90.0° |
C25 | N2 | HN21 | 109.4° | 90.0° |
C25 | N2 | HN22 | 109.5° | 90.0° |
C24 | C25 | H25 | 106.0° | 90.0° |
C25 | C24 | O1 | 109.8° | 90.0° |
C25 | C24 | N1 | 113.0° | 90.0° |
C25 | C24 | H24 | 106.9° | 90.0° |
HN21 | N2 | HN22 | 109.5° | 90.0° |
C26 | C2 | O1 | 112.8° | 90.0° |
C26 | C2 | H2 | 106.5° | 90.0° |
C2 | C26 | O5 | 108.6° | 90.0° |
C2 | C26 | H261 | 110.0° | 90.0° |
C2 | C26 | H262 | 109.8° | 90.0° |
O1 | C2 | H2 | 107.1° | 90.0° |
C2 | O1 | C24 | 115.9° | 90.0° |
O5 | C26 | H261 | 110.0° | 90.0° |
O5 | C26 | H262 | 109.8° | 90.0° |
C26 | O5 | HO5 | 109.5° | 90.0° |
H261 | C26 | H262 | 108.8° | 90.0° |
O1 | C24 | N1 | 109.7° | 90.0° |
O1 | C24 | H24 | 110.4° | 90.0° |
N1 | C24 | H24 | 106.9° | 90.0° |
C24 | N1 | C22 | 117.4° | 90.0° |
C24 | N1 | HN1 | 106.9° | 90.0° |
C22 | N1 | HN1 | 106.9° | 90.0° |
N1 | C22 | C21 | 111.3° | 90.0° |
N1 | C22 | H221 | 108.5° | 90.0° |
N1 | C22 | H222 | 108.9° | 90.0° |
C21 | C22 | H221 | 108.5° | 90.0° |
C21 | C22 | H222 | 108.9° | 90.0° |
C22 | C21 | O3 | 102.9° | 90.0° |
C22 | C21 | H211 | 113.1° | 90.0° |
C22 | C21 | H212 | 111.7° | 90.0° |
H221 | C22 | H222 | 110.9° | 90.0° |
O3 | C21 | H211 | 113.1° | 90.0° |
O3 | C21 | H212 | 111.7° | 90.0° |
C21 | O3 | SNN | 108.4° | 90.0° |
H211 | C21 | H212 | 104.5° | 90.0° |
O3 | SNN | O36 | 111.4° | 90.0° |
O3 | SNN | O35 | 102.0° | 90.0° |
O3 | SNN | O34 | 109.2° | 90.0° |
O36 | SNN | O35 | 101.6° | 90.0° |
O36 | SNN | O34 | 116.2° | 90.0° |
SNN | O36 | H36 | 109.5° | 90.0° |
O35 | SNN | O34 | 115.4° | 90.0° |
SNN | O35 | H35 | 109.5° | 90.0° |
SNN | O34 | H34 | 109.5° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C10 | C23 | C2 | 120.3° | 90.0° |
O2 | C10 | C23 | H10 | 120.3° | 90.0° |
O2 | C10 | C2 | H10 | 120.4° | 90.0° |
O2 | C10 | C23 | O4 | 71.5° | 90.0° |
O2 | C10 | C23 | C25 | 165.3° | 90.0° |
O2 | C10 | C23 | H23 | 48.1° | 90.0° |
O2 | C10 | C2 | C26 | 48.0° | 90.0° |
O2 | C10 | C2 | O1 | 173.6° | 90.0° |
O2 | C10 | C2 | H2 | 69.0° | 90.0° |
HO2 | O2 | C10 | C23 | 45.4° | 90.0° |
HO2 | O2 | C10 | C2 | 78.1° | 90.0° |
HO2 | O2 | C10 | H10 | 162.2° | 90.0° |
C23 | C10 | C2 | H10 | 116.7° | 90.0° |
C10 | C23 | O4 | C25 | 125.1° | 90.0° |
C10 | C23 | O4 | H23 | 117.5° | 90.0° |
C10 | C23 | C25 | H23 | 117.3° | 90.0° |
C10 | C23 | O4 | HO4 | 150.5° | 90.0° |
C10 | C23 | C25 | N2 | 77.7° | 90.0° |
C10 | C23 | C25 | C24 | 44.3° | 90.0° |
C10 | C23 | C25 | H25 | 161.7° | 90.0° |
C23 | C10 | C2 | C26 | 74.8° | 90.0° |
C23 | C10 | C2 | O1 | 50.7° | 90.0° |
C23 | C10 | C2 | H2 | 168.1° | 90.0° |
C2 | C10 | C23 | O4 | 168.1° | 90.0° |
C2 | C10 | C23 | C25 | 44.9° | 90.0° |
C2 | C10 | C23 | H23 | 72.3° | 90.0° |
C10 | C2 | C26 | O1 | 124.1° | 90.0° |
C10 | C2 | C26 | H2 | 118.7° | 90.0° |
C10 | C2 | O1 | H2 | 118.8° | 90.0° |
C10 | C2 | C26 | O5 | 162.9° | 90.0° |
C10 | C2 | C26 | H261 | 42.5° | 90.0° |
C10 | C2 | C26 | H262 | 77.1° | 90.0° |
C10 | C2 | O1 | C24 | 60.7° | 90.0° |
H10 | C10 | C23 | O4 | 48.7° | 90.0° |
H10 | C10 | C23 | C25 | 74.5° | 90.0° |
H10 | C10 | C23 | H23 | 168.3° | 90.0° |
H10 | C10 | C2 | C26 | 168.4° | 90.0° |
H10 | C10 | C2 | O1 | 66.0° | 90.0° |
H10 | C10 | C2 | H2 | 51.4° | 90.0° |
O4 | C23 | C25 | H23 | 119.6° | 90.0° |
O4 | C23 | C25 | N2 | 45.4° | 90.0° |
O4 | C23 | C25 | C24 | 167.5° | 90.0° |
O4 | C23 | C25 | H25 | 75.1° | 90.0° |
C25 | C23 | O4 | HO4 | 84.4° | 90.0° |
C23 | C25 | N2 | C24 | 123.1° | 90.0° |
C23 | C25 | N2 | H25 | 119.5° | 90.0° |
C23 | C25 | C24 | H25 | 119.3° | 90.0° |
C23 | C25 | N2 | HN21 | 140.8° | 90.0° |
C23 | C25 | N2 | HN22 | 99.2° | 90.0° |
C23 | C25 | C24 | O1 | 49.8° | 90.0° |
C23 | C25 | C24 | N1 | 172.7° | 90.0° |
C23 | C25 | C24 | H24 | 69.9° | 90.0° |
H23 | C23 | O4 | HO4 | 33.0° | 90.0° |
H23 | C23 | C25 | N2 | 165.0° | 90.0° |
H23 | C23 | C25 | C24 | 72.9° | 90.0° |
H23 | C23 | C25 | H25 | 44.5° | 90.0° |
N2 | C25 | C24 | H25 | 120.5° | 90.0° |
C25 | N2 | HN21 | HN22 | 120.0° | 90.0° |
N2 | C25 | C24 | O1 | 70.4° | 90.0° |
N2 | C25 | C24 | N1 | 52.5° | 90.0° |
N2 | C25 | C24 | H24 | 169.9° | 90.0° |
C24 | C25 | N2 | HN21 | 17.7° | 90.0° |
C24 | C25 | N2 | HN22 | 137.7° | 90.0° |
C25 | C24 | O1 | C2 | 59.9° | 90.0° |
C25 | C24 | O1 | N1 | 124.8° | 90.0° |
C25 | C24 | O1 | H24 | 117.6° | 90.0° |
C25 | C24 | N1 | H24 | 117.4° | 90.0° |
C25 | C24 | N1 | C22 | 89.1° | 90.0° |
C25 | C24 | N1 | HN1 | 30.9° | 90.0° |
H25 | C25 | N2 | HN21 | 99.7° | 90.0° |
H25 | C25 | N2 | HN22 | 20.3° | 90.0° |
H25 | C25 | C24 | O1 | 169.2° | 90.0° |
H25 | C25 | C24 | N1 | 68.0° | 90.0° |
H25 | C25 | C24 | H24 | 49.4° | 90.0° |
C26 | C2 | O1 | H2 | 116.8° | 90.0° |
C2 | C26 | O5 | H261 | 120.4° | 90.0° |
C2 | C26 | O5 | H262 | 120.0° | 90.0° |
C2 | C26 | H261 | H262 | 120.2° | 90.0° |
C2 | C26 | O5 | HO5 | 24.6° | 90.0° |
C26 | C2 | O1 | C24 | 63.7° | 90.0° |
O1 | C2 | C26 | O5 | 73.0° | 90.0° |
O1 | C2 | C26 | H261 | 166.6° | 90.0° |
O1 | C2 | C26 | H262 | 47.0° | 90.0° |
C2 | O1 | C24 | N1 | 175.3° | 90.0° |
C2 | O1 | C24 | H24 | 57.7° | 90.0° |
H2 | C2 | C26 | O5 | 44.2° | 90.0° |
H2 | C2 | C26 | H261 | 76.2° | 90.0° |
H2 | C2 | C26 | H262 | 164.2° | 90.0° |
H2 | C2 | O1 | C24 | 179.4° | 90.0° |
O5 | C26 | H261 | H262 | 120.3° | 90.0° |
H261 | C26 | O5 | HO5 | 95.8° | 90.0° |
H262 | C26 | O5 | HO5 | 144.6° | 90.0° |
O1 | C24 | N1 | H24 | 119.7° | 90.0° |
O1 | C24 | N1 | C22 | 33.8° | 90.0° |
O1 | C24 | N1 | HN1 | 153.8° | 90.0° |
C24 | N1 | C22 | HN1 | 120.0° | 90.0° |
C24 | N1 | C22 | C21 | 174.5° | 90.0° |
C24 | N1 | C22 | H221 | 66.2° | 90.0° |
C24 | N1 | C22 | H222 | 54.5° | 90.0° |
H24 | C24 | N1 | C22 | 153.5° | 90.0° |
H24 | C24 | N1 | HN1 | 86.5° | 90.0° |
N1 | C22 | C21 | H221 | 119.2° | 90.0° |
N1 | C22 | C21 | H222 | 120.0° | 90.0° |
N1 | C22 | H221 | H222 | 119.5° | 90.0° |
N1 | C22 | C21 | O3 | 143.6° | 90.0° |
N1 | C22 | C21 | H211 | 94.0° | 90.0° |
N1 | C22 | C21 | H212 | 23.6° | 90.0° |
HN1 | N1 | C22 | C21 | 65.5° | 90.0° |
HN1 | N1 | C22 | H221 | 53.8° | 90.0° |
HN1 | N1 | C22 | H222 | 174.5° | 90.0° |
C21 | C22 | H221 | H222 | 119.5° | 90.0° |
C22 | C21 | O3 | H211 | 122.4° | 90.0° |
C22 | C21 | O3 | H212 | 120.0° | 90.0° |
C22 | C21 | H211 | H212 | 121.7° | 90.0° |
C22 | C21 | O3 | SNN | 178.0° | 90.0° |
H221 | C22 | C21 | O3 | 24.4° | 90.0° |
H221 | C22 | C21 | H211 | 146.8° | 90.0° |
H221 | C22 | C21 | H212 | 95.6° | 90.0° |
H222 | C22 | C21 | O3 | 96.4° | 90.0° |
H222 | C22 | C21 | H211 | 26.0° | 90.0° |
H222 | C22 | C21 | H212 | 143.6° | 90.0° |
O3 | C21 | H211 | H212 | 121.8° | 90.0° |
C21 | O3 | SNN | O36 | 43.6° | 90.0° |
C21 | O3 | SNN | O35 | 64.2° | 90.0° |
C21 | O3 | SNN | O34 | 173.3° | 90.0° |
H211 | C21 | O3 | SNN | 55.6° | 90.0° |
H212 | C21 | O3 | SNN | 62.0° | 90.0° |
O3 | SNN | O36 | O35 | 107.9° | 90.0° |
O3 | SNN | O36 | O34 | 125.9° | 90.0° |
O3 | SNN | O35 | O34 | 118.2° | 90.0° |
O3 | SNN | O36 | H36 | 179.6° | 90.0° |
O3 | SNN | O35 | H35 | 93.6° | 90.0° |
O3 | SNN | O34 | H34 | 91.4° | 90.0° |
O36 | SNN | O35 | O34 | 126.7° | 90.0° |
O36 | SNN | O35 | H35 | 151.3° | 90.0° |
O36 | SNN | O34 | H34 | 35.6° | 90.0° |
O35 | SNN | O36 | H36 | 71.7° | 90.0° |
O35 | SNN | O34 | H34 | 154.5° | 90.0° |
O34 | SNN | O36 | H36 | 54.4° | 90.0° |
O34 | SNN | O35 | H35 | 24.6° | 90.0° |